smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 ZINC000072321400 291364884 /nfs/dbraw/zinc/36/48/84/291364884.db2.gz PFOSDMZCBPOTKO-NFBKMPQASA-N 0 0 428.504 3.661 40 0 biogenic,in-vitro IHABRN CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 ZINC000030881877 291366160 /nfs/dbraw/zinc/36/61/60/291366160.db2.gz DDTICKDNZRCSTR-FKBYEOEOSA-N 0 0 435.572 3.505 40 0 biogenic,in-vitro IHABRN COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000004897313 291369595 /nfs/dbraw/zinc/36/95/95/291369595.db2.gz HRLFUIXSXUASEX-AHWCRGGASA-N 0 0 446.496 3.813 40 0 biogenic,in-vitro IHABRN CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)cc1 ZINC000072322002 291372267 /nfs/dbraw/zinc/37/22/67/291372267.db2.gz AILPCAPGFQARMP-QHCPKHFHSA-N 0 0 448.548 3.602 40 0 biogenic,in-vitro IHABRN COc1ccccc1N1CCN(C(=O)c2c(-c3ccc(F)cc3)noc2[C@H](C)O)CC1 ZINC000253401100 291372294 /nfs/dbraw/zinc/37/22/94/291372294.db2.gz MMJCYGPYEYWYBC-HNNXBMFYSA-N 0 0 425.460 3.505 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)NC3CCCCC3)C1)C2)c1ccccc1 ZINC000005441004 291375040 /nfs/dbraw/zinc/37/50/40/291375040.db2.gz QCOWHHZTUOAFKO-PKOBYXMFSA-N 0 0 434.540 3.562 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccccc1)N1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@@H]2C1 ZINC000005396219 291376542 /nfs/dbraw/zinc/37/65/42/291376542.db2.gz FKSDMKYLYQKBHU-QFIPXVFZSA-N 0 0 426.476 3.664 40 0 biogenic,in-vitro IHABRN O=c1c(-c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 ZINC000004237132 291376825 /nfs/dbraw/zinc/37/68/25/291376825.db2.gz YDQOABPJXUSYCY-FUHWJXTLSA-N 0 0 440.952 3.977 40 0 biogenic,in-vitro IHABRN CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(-c3ccco3)nc21 ZINC000000602413 193859396 /nfs/dbraw/zinc/85/93/96/193859396.db2.gz CJRNHKSLHHWUAB-UHFFFAOYSA-N 0 0 432.444 3.797 40 0 in-vitro IHABRN CN(C)C(=O)c1cc([C@@H]2CCN(S(=O)(=O)c3ccccc3Cl)C2)nc2ccccc21 ZINC000019761049 193912815 /nfs/dbraw/zinc/91/28/15/193912815.db2.gz WDBDPKUXASLLAP-OAHLLOKOSA-N 0 0 443.956 3.768 40 0 IHABRN CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000408607507 193975852 /nfs/dbraw/zinc/97/58/52/193975852.db2.gz MRHZTUZYZDWLMT-GOSISDBHSA-N 0 0 445.585 3.579 40 0 IHABRN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCCc2ccccc21 ZINC000010449608 132335746 /nfs/dbraw/zinc/33/57/46/132335746.db2.gz DDUSRQUEXRXSMR-QHCPKHFHSA-N 0 0 434.517 3.622 40 0 IHABRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013503883 132347409 /nfs/dbraw/zinc/34/74/09/132347409.db2.gz RCSHTERPLSNIKZ-QHCPKHFHSA-N 0 0 436.535 3.848 40 0 IHABRN COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2cccc(C)c2C)CC1 ZINC000013504305 132347929 /nfs/dbraw/zinc/34/79/29/132347929.db2.gz PJBJIWHNOAROTQ-JOCHJYFZSA-N 0 0 440.979 3.501 40 0 IHABRN Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000013505464 132348859 /nfs/dbraw/zinc/34/88/59/132348859.db2.gz XXVXGOUKEIMMNK-VWLOTQADSA-N 0 0 442.542 3.967 40 0 IHABRN CC(C)(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1 ZINC000019081463 518569051 /nfs/dbraw/zinc/56/90/51/518569051.db2.gz IHDGXOCFYMECIV-AREMUKBSSA-N 0 0 438.543 3.958 40 0 IHABRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012871018 518746398 /nfs/dbraw/zinc/74/63/98/518746398.db2.gz WUMYKVIXDHNYJI-QGZVFWFLSA-N 0 0 429.933 3.889 40 0 IHABRN CC(C)c1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000022330185 519836685 /nfs/dbraw/zinc/83/66/85/519836685.db2.gz UQGOQMGGRJHOMS-FQEVSTJZSA-N 0 0 430.570 3.995 40 0 IHABRN CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000022485806 519837971 /nfs/dbraw/zinc/83/79/71/519837971.db2.gz LRSMKTONPNHYAH-UHFFFAOYSA-N 0 0 427.570 3.534 40 0 IHABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000017102706 519869136 /nfs/dbraw/zinc/86/91/36/519869136.db2.gz YZKVCWYXODJJBR-UHFFFAOYSA-N 0 0 438.597 3.879 40 0 IHABRN CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cc(C)ccc2[nH]c1=O ZINC000035313562 519903602 /nfs/dbraw/zinc/90/36/02/519903602.db2.gz MHZLFEGXQOFIFZ-JOCHJYFZSA-N 0 0 437.565 3.696 40 0 IHABRN CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1 ZINC000012880784 520297066 /nfs/dbraw/zinc/29/70/66/520297066.db2.gz DLOJFKNRSKVPCY-UHFFFAOYSA-N 0 0 442.647 3.887 40 0 IHABRN CCN(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000022539290 520346584 /nfs/dbraw/zinc/34/65/84/520346584.db2.gz SRUVYHBCEICQPD-LJQANCHMSA-N 0 0 432.586 3.817 40 0 IHABRN CCCOc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)c1 ZINC000035993550 520471692 /nfs/dbraw/zinc/47/16/92/520471692.db2.gz IVOIDBVVNSDLPP-OPYAIIAOSA-N 0 0 436.430 3.888 40 0 IHABRN CCN(CC)C(=O)Oc1cccc(I)c1I ZINC000090449547 520516412 /nfs/dbraw/zinc/51/64/12/520516412.db2.gz XZEIENGMIBARLF-UHFFFAOYSA-N 0 0 445.038 3.736 40 0 IHABRN CCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000012411397 520568382 /nfs/dbraw/zinc/56/83/82/520568382.db2.gz MVFNIRKXWPCRIJ-QGZVFWFLSA-N 0 0 434.583 3.898 40 0 IHABRN CCC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233257 520655365 /nfs/dbraw/zinc/65/53/65/520655365.db2.gz DAJLGVZKDSUURJ-MRXNPFEDSA-N 0 0 438.977 3.990 40 0 IHABRN CCCCOC(=O)c1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022399880 520722495 /nfs/dbraw/zinc/72/24/95/520722495.db2.gz RXGPDRRGTQXXDF-UHFFFAOYSA-N 0 0 446.569 3.973 40 0 IHABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)CC)cc1 ZINC000020449256 520723930 /nfs/dbraw/zinc/72/39/30/520723930.db2.gz FDMAXIZQYCFDEC-INIZCTEOSA-N 0 0 444.553 3.997 40 0 IHABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1F ZINC000022248693 520783700 /nfs/dbraw/zinc/78/37/00/520783700.db2.gz DQJHJKGCVPVQLK-UHFFFAOYSA-N 0 0 432.876 3.666 40 0 IHABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022537123 520807013 /nfs/dbraw/zinc/80/70/13/520807013.db2.gz MATBWQWAQOUACL-LJQANCHMSA-N 0 0 432.586 3.899 40 0 IHABRN CCCCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)cc1 ZINC000012645335 520882756 /nfs/dbraw/zinc/88/27/56/520882756.db2.gz YJVPQUKTYGTORT-UHFFFAOYSA-N 0 0 442.516 3.819 40 0 IHABRN CCOc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000022336659 520946934 /nfs/dbraw/zinc/94/69/34/520946934.db2.gz WFXQOQMAUAOJNF-UHFFFAOYSA-N 0 0 438.977 3.562 40 0 IHABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc2ccccc21 ZINC000020802530 521092474 /nfs/dbraw/zinc/09/24/74/521092474.db2.gz ZZFIIBBYSJSBLW-GOTSBHOMSA-N 0 0 443.503 3.951 40 0 IHABRN CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cccnc2)C1 ZINC000012156766 521181366 /nfs/dbraw/zinc/18/13/66/521181366.db2.gz YBJMGVQZGIFEOP-HYBUGGRVSA-N 0 0 439.487 3.590 40 0 IHABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000020492106 521252489 /nfs/dbraw/zinc/25/24/89/521252489.db2.gz UMBZLIVUPMEDDG-AWEZNQCLSA-N 0 0 444.475 3.748 40 0 IHABRN CCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000036719754 521273424 /nfs/dbraw/zinc/27/34/24/521273424.db2.gz OXYQSKGJXKRNST-MDZRGWNJSA-N 0 0 442.821 3.843 40 0 IHABRN CCOc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 ZINC000022426640 521382159 /nfs/dbraw/zinc/38/21/59/521382159.db2.gz NKZXOTBELKYJQZ-FQEVSTJZSA-N 0 0 446.569 3.578 40 0 IHABRN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012186633 521435862 /nfs/dbraw/zinc/43/58/62/521435862.db2.gz VQRNUZZBTUGYJC-UHFFFAOYSA-N 0 0 430.888 3.703 40 0 IHABRN CCOc1ccccc1CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000022427848 521490959 /nfs/dbraw/zinc/49/09/59/521490959.db2.gz OSKMVIGCECMOPF-UHFFFAOYSA-N 0 0 438.549 3.905 40 0 IHABRN CCCn1c2nn(CC(=O)c3c(C)[nH]c4ccccc43)c(=O)n2c2cc(Cl)ccc2c1=O ZINC000035399608 521640853 /nfs/dbraw/zinc/64/08/53/521640853.db2.gz IPOADAIVHLAGRP-UHFFFAOYSA-N 0 0 449.898 3.547 40 0 IHABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Cl)cc1C ZINC000022252695 521659366 /nfs/dbraw/zinc/65/93/66/521659366.db2.gz KVCVXECKMBYSDQ-UHFFFAOYSA-N 0 0 426.922 3.704 40 0 IHABRN CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000035313558 521930724 /nfs/dbraw/zinc/93/07/24/521930724.db2.gz MPPVOXJOBZLTTJ-QFIPXVFZSA-N 0 0 437.565 3.614 40 0 IHABRN CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000035313557 521931979 /nfs/dbraw/zinc/93/19/79/521931979.db2.gz BGFKTPIMQYAGPD-JOCHJYFZSA-N 0 0 437.565 3.614 40 0 IHABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000022383114 522091852 /nfs/dbraw/zinc/09/18/52/522091852.db2.gz ZWUBIWVOCZCKAH-UHFFFAOYSA-N 0 0 448.497 3.508 40 0 IHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015608582 522221937 /nfs/dbraw/zinc/22/19/37/522221937.db2.gz JTVZIFKZXCZJFB-QGZVFWFLSA-N 0 0 443.569 3.642 40 0 IHABRN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 ZINC000016610377 522260506 /nfs/dbraw/zinc/26/05/06/522260506.db2.gz FFUCZGNEFLVEBG-CYBMUJFWSA-N 0 0 444.582 3.824 40 0 IHABRN CC[C@@H](NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020488949 522685831 /nfs/dbraw/zinc/68/58/31/522685831.db2.gz CWLBMYLLMCFQIL-QGZVFWFLSA-N 0 0 439.375 3.791 40 0 IHABRN COc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)cc1Cl ZINC000015474989 522724343 /nfs/dbraw/zinc/72/43/43/522724343.db2.gz LONQHWVXVZRHSG-UHFFFAOYSA-N 0 0 438.933 3.784 40 0 IHABRN COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc(Cl)c3Cl)C1=O)CC2 ZINC000022609288 523031081 /nfs/dbraw/zinc/03/10/81/523031081.db2.gz AXSJGFSDLNTHCH-MRXNPFEDSA-N 0 0 435.307 3.701 40 0 IHABRN COc1ccc(-c2nn3c(nnc3SCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000022720497 523250698 /nfs/dbraw/zinc/25/06/98/523250698.db2.gz WTZGIWZXBKHRLG-UHFFFAOYSA-N 0 0 427.873 3.529 40 0 IHABRN COc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2cccnc2)cc1 ZINC000035314092 523320349 /nfs/dbraw/zinc/32/03/49/523320349.db2.gz UJXBTFDYJWIJKC-UHFFFAOYSA-N 0 0 437.550 3.808 40 0 IHABRN CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)Nc2ccc(N(C)C)cc2)C1=O ZINC000012222090 523603848 /nfs/dbraw/zinc/60/38/48/523603848.db2.gz GEOVNHIRIPORQF-FQEVSTJZSA-N 0 0 447.491 3.719 40 0 IHABRN CN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1)S(C)(=O)=O ZINC000022230784 523641460 /nfs/dbraw/zinc/64/14/60/523641460.db2.gz VDNRJPJDYKNOPD-UHFFFAOYSA-N 0 0 436.839 3.772 40 0 IHABRN CN(c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1)S(C)(=O)=O ZINC000022230781 523641891 /nfs/dbraw/zinc/64/18/91/523641891.db2.gz LUMBOSYWZRYPIY-UHFFFAOYSA-N 0 0 426.494 3.892 40 0 IHABRN COc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc(=O)[nH]c(C)n3)C2)s1 ZINC000012163634 523668894 /nfs/dbraw/zinc/66/88/94/523668894.db2.gz UFZFCCAQBDNMTP-DLBZAZTESA-N 0 0 425.510 3.593 40 0 IHABRN CN(C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)C1CCCCC1 ZINC000020458344 523790067 /nfs/dbraw/zinc/79/00/67/523790067.db2.gz GOVWHXRPXNUBPX-UHFFFAOYSA-N 0 0 430.973 3.812 40 0 IHABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000022229882 523798038 /nfs/dbraw/zinc/79/80/38/523798038.db2.gz HFXRJTLBVZQDPD-KRWDZBQOSA-N 0 0 442.459 3.814 40 0 IHABRN COc1ccc(C2(NC(=O)c3cccc(N4CCCCS4(=O)=O)c3)CCCC2)cc1 ZINC000012143116 523870605 /nfs/dbraw/zinc/87/06/05/523870605.db2.gz QYFQLLLUKJJMEW-UHFFFAOYSA-N 0 0 428.554 3.825 40 0 IHABRN COc1ccc(CC(=O)N2CCC(c3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 ZINC000012129123 523890454 /nfs/dbraw/zinc/89/04/54/523890454.db2.gz HWCBFYDKVCTMRS-UHFFFAOYSA-N 0 0 437.565 3.821 40 0 IHABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022536807 524005995 /nfs/dbraw/zinc/00/59/95/524005995.db2.gz IFAHIUJHFIRCLO-RBUKOAKNSA-N 0 0 432.586 3.945 40 0 IHABRN CN1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464091 524008543 /nfs/dbraw/zinc/00/85/43/524008543.db2.gz CSHUZPQXZDULQP-ZFWWWQNUSA-N 0 0 426.439 3.933 40 0 biogenic,in-vitro IHABRN Cc1ccc(C)c(CSc2nnc3n2c2ccccc2c(=O)n3CCC(=O)NC(C)C)c1 ZINC000033291996 524108968 /nfs/dbraw/zinc/10/89/68/524108968.db2.gz FEYVGHYTNIHVTB-UHFFFAOYSA-N 0 0 449.580 3.868 40 0 IHABRN Cc1ccc(C)c(N2C[C@H](C(=O)N3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)CC2=O)c1 ZINC000019133719 524130351 /nfs/dbraw/zinc/13/03/51/524130351.db2.gz DSWVJRHQADPWGR-WOJBJXKFSA-N 0 0 445.523 3.508 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000022539218 524248258 /nfs/dbraw/zinc/24/82/58/524248258.db2.gz ZPFCZFGAXLSZNM-INIZCTEOSA-N 0 0 438.977 3.772 40 0 IHABRN Cc1cc(C)c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c(C)c1 ZINC000022380550 524276107 /nfs/dbraw/zinc/27/61/07/524276107.db2.gz UOUQFCFCBLWXMS-UHFFFAOYSA-N 0 0 425.348 3.779 40 0 IHABRN Cc1ccc(CN(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccn2)cc1 ZINC000012872297 524361591 /nfs/dbraw/zinc/36/15/91/524361591.db2.gz CVCWIDDKWKVDLR-NRFANRHFSA-N 0 0 435.553 3.684 40 0 IHABRN COc1ccc(N(CCCC(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1Cl ZINC000020455338 524366175 /nfs/dbraw/zinc/36/61/75/524366175.db2.gz BOSXHAHHQBTACW-UHFFFAOYSA-N 0 0 438.977 3.862 40 0 IHABRN 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ZINC000012116453 525491606 /nfs/dbraw/zinc/49/16/06/525491606.db2.gz LOBINIGLGZMSOM-SFHVURJKSA-N 0 0 431.540 3.639 40 0 IHABRN Cc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)s1 ZINC000013894643 525724718 /nfs/dbraw/zinc/72/47/18/525724718.db2.gz RPCKUDYENXRJBY-UHFFFAOYSA-N 0 0 437.546 3.849 40 0 IHABRN COc1cccc(-n2c3nnc(S[C@H](C)c4nc(C)no4)n3c3ccccc3c2=O)c1 ZINC000012522059 525751016 /nfs/dbraw/zinc/75/10/16/525751016.db2.gz WUYWGARIJIVNIP-GFCCVEGCSA-N 0 0 434.481 3.587 40 0 IHABRN Cc1ccc(-c2ccccc2CC2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)c(C)c1 ZINC000012231622 525757200 /nfs/dbraw/zinc/75/72/00/525757200.db2.gz VQYBYKRLOJWGFH-NRFANRHFSA-N 0 0 441.593 3.613 40 0 IHABRN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 ZINC000012219695 525929745 /nfs/dbraw/zinc/92/97/45/525929745.db2.gz AVEWNHAOVKSIOU-CABCVRRESA-N 0 0 439.462 3.785 40 0 IHABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)[C@H]1COc2ccccc2O1)c1cnc2ccccc2c1 ZINC000012471396 526017929 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ZINC000408658832 556043600 /nfs/dbraw/zinc/04/36/00/556043600.db2.gz IZSBISDJWMQSNZ-ZLGUVYLKSA-N 0 0 448.519 3.970 40 0 IHABRN Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1 ZINC000408659027 556043949 /nfs/dbraw/zinc/04/39/49/556043949.db2.gz LSCKIIQHLMXBKA-PMACEKPBSA-N 0 0 434.492 3.779 40 0 IHABRN Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5ccccc5C4=O)c3)CC2=O)c1 ZINC000408659294 556044547 /nfs/dbraw/zinc/04/45/47/556044547.db2.gz KPHCNYBWZINOQC-QGZVFWFLSA-N 0 0 440.455 3.754 40 0 IHABRN COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000408662768 556045123 /nfs/dbraw/zinc/04/51/23/556045123.db2.gz XXIZGKKFDBVHST-GFCCVEGCSA-N 0 0 437.279 3.537 40 0 IHABRN CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000408663633 556046661 /nfs/dbraw/zinc/04/66/61/556046661.db2.gz QCNFFRGAJSEFEW-WOJBJXKFSA-N 0 0 432.476 3.500 40 0 IHABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408663766 556046993 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436.961 3.699 40 0 IHABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000408705697 556111937 /nfs/dbraw/zinc/11/19/37/556111937.db2.gz LQSCQIHMDJOPMT-UHFFFAOYSA-N 0 0 445.324 3.559 40 0 IHABRN CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)cc1 ZINC000408709629 556116075 /nfs/dbraw/zinc/11/60/75/556116075.db2.gz VPFHWVGOGILOHO-UHFFFAOYSA-N 0 0 429.520 3.742 40 0 IHABRN CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000408710233 556117197 /nfs/dbraw/zinc/11/71/97/556117197.db2.gz UCGGAFFLUGQHLT-UHFFFAOYSA-N 0 0 445.519 3.579 40 0 IHABRN O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000408709912 556117766 /nfs/dbraw/zinc/11/77/66/556117766.db2.gz IIYOMGZLXJWLLU-UHFFFAOYSA-N 0 0 449.938 3.610 40 0 IHABRN COc1cccc(NS(=O)(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)c1 ZINC000408721861 556149362 /nfs/dbraw/zinc/14/93/62/556149362.db2.gz MEWOTWPYJJTNJB-XXBNENTESA-N 0 0 442.537 3.812 40 0 IHABRN 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COc1cccc(N(CCCC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000222587486 557356869 /nfs/dbraw/zinc/35/68/69/557356869.db2.gz QKAUDEZXZAINHH-UHFFFAOYSA-N 0 0 441.347 3.643 40 0 IHABRN COc1cccc(N(CCCC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000222590335 557357358 /nfs/dbraw/zinc/35/73/58/557357358.db2.gz DXSLGTRBNAEHQX-UHFFFAOYSA-N 0 0 426.922 3.542 40 0 IHABRN CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222613239 557361747 /nfs/dbraw/zinc/36/17/47/557361747.db2.gz DFELMTIAYZOOBK-HXUWFJFHSA-N 0 0 442.537 3.930 40 0 IHABRN CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000222612772 557361775 /nfs/dbraw/zinc/36/17/75/557361775.db2.gz HHKJBMCNTMPEAT-LJQANCHMSA-N 0 0 428.510 3.621 40 0 IHABRN CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222612920 557361802 /nfs/dbraw/zinc/36/18/02/557361802.db2.gz WLMGHMRZKQVVGP-GOSISDBHSA-N 0 0 448.928 3.966 40 0 IHABRN CCOc1ccccc1N(CCCC(=O)N[C@@H](C)COc1ccc(C)cc1)S(C)(=O)=O ZINC000222615530 557362194 /nfs/dbraw/zinc/36/21/94/557362194.db2.gz VVDXWJAKEFTXTF-IBGZPJMESA-N 0 0 448.585 3.524 40 0 IHABRN O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000222619429 557362959 /nfs/dbraw/zinc/36/29/59/557362959.db2.gz CPXXPVFKBPNXDV-HXUWFJFHSA-N 0 0 434.989 3.631 40 0 IHABRN CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC)cc1OCC ZINC000222625112 557364306 /nfs/dbraw/zinc/36/43/06/557364306.db2.gz OZGQPKUJRFCUOR-KRWDZBQOSA-N 0 0 430.520 3.719 40 0 IHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222642504 557367403 /nfs/dbraw/zinc/36/74/03/557367403.db2.gz NGPVZBDWMBNWHW-QFIPXVFZSA-N 0 0 446.519 3.554 40 0 IHABRN O=C(CCc1ccc2c(c1)OCCO2)NCc1nc(-c2cccc(Br)c2)no1 ZINC000222647114 557368071 /nfs/dbraw/zinc/36/80/71/557368071.db2.gz DUBNHHUMDXCADS-UHFFFAOYSA-N 0 0 444.285 3.519 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)c1C ZINC000222647774 557368183 /nfs/dbraw/zinc/36/81/83/557368183.db2.gz ISVIOWINHALHKT-UHFFFAOYSA-N 0 0 446.569 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ZINC000013639252 557384562 /nfs/dbraw/zinc/38/45/62/557384562.db2.gz QMRQOOGWPGSMOK-UHFFFAOYSA-N 0 0 433.468 3.686 40 0 IHABRN COc1ccc(-c2c(C)nn3c2nnc2c3C[C@@H](c3ccccc3O)CC2=O)cc1OC ZINC000013639333 557384583 /nfs/dbraw/zinc/38/45/83/557384583.db2.gz LKTWPJAXIDDAIH-OAHLLOKOSA-N 0 0 430.464 3.735 40 0 IHABRN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000222775351 557385663 /nfs/dbraw/zinc/38/56/63/557385663.db2.gz LRAYBXZSUMUYEC-LJQANCHMSA-N 0 0 446.503 3.528 40 0 IHABRN CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000072352714 557387088 /nfs/dbraw/zinc/38/70/88/557387088.db2.gz OORSZPSHMUGELK-DEOSSOPVSA-N 0 0 449.526 3.902 40 0 IHABRN O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000222803473 557388483 /nfs/dbraw/zinc/38/84/83/557388483.db2.gz FNYXYWSBLBPBPV-OAQYLSRUSA-N 0 0 428.941 3.963 40 0 IHABRN CCOc1ccc(CCC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)cc1 ZINC000072370188 557388800 /nfs/dbraw/zinc/38/88/00/557388800.db2.gz 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IHABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000223001047 557414219 /nfs/dbraw/zinc/41/42/19/557414219.db2.gz LGWSGPDKJCOHBZ-NRFANRHFSA-N 0 0 446.547 3.850 40 0 IHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1 ZINC000223030569 557417819 /nfs/dbraw/zinc/41/78/19/557417819.db2.gz VUYUBMYEFKSFJM-MRXNPFEDSA-N 0 0 433.346 3.690 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1F ZINC000223030909 557418141 /nfs/dbraw/zinc/41/81/41/557418141.db2.gz BQAJRGJZGRZBKQ-AWEZNQCLSA-N 0 0 437.309 3.520 40 0 IHABRN COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)cc1 ZINC000223040996 557419797 /nfs/dbraw/zinc/41/97/97/557419797.db2.gz HCFWRNZVQZJWSP-MRXNPFEDSA-N 0 0 446.569 3.806 40 0 IHABRN CC[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223061191 557423784 /nfs/dbraw/zinc/42/37/84/557423784.db2.gz QRADJSRDHQOOQV-NRFANRHFSA-N 0 0 436.524 3.877 40 0 IHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223065617 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556456296 /nfs/dbraw/zinc/45/62/96/556456296.db2.gz RKGJOVXDZICNIS-UHFFFAOYSA-N 0 0 429.505 3.948 40 0 IHABRN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000015176611 556508141 /nfs/dbraw/zinc/50/81/41/556508141.db2.gz UEHNAACNWKGSAC-UHFFFAOYSA-N 0 0 435.505 3.867 40 0 IHABRN CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 ZINC000030849444 556508420 /nfs/dbraw/zinc/50/84/20/556508420.db2.gz FWNDTHVXCOWXAY-IBGZPJMESA-N 0 0 444.597 3.813 40 0 IHABRN Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1 ZINC000013503704 556509847 /nfs/dbraw/zinc/50/98/47/556509847.db2.gz VSTJHIOWADHURZ-UHFFFAOYSA-N 0 0 436.556 3.899 40 0 IHABRN Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 ZINC000030866840 556512533 /nfs/dbraw/zinc/51/25/33/556512533.db2.gz SXOMJUPSKSEQHD-UHFFFAOYSA-N 0 0 428.598 3.594 40 0 IHABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)O2 ZINC000030941469 556516307 /nfs/dbraw/zinc/51/63/07/556516307.db2.gz NPIVXURZYUDOSW-QFIPXVFZSA-N 0 0 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/nfs/dbraw/zinc/53/50/54/556535054.db2.gz IBJHGAQIRPAUQP-UHFFFAOYSA-N 0 0 438.977 3.562 40 0 IHABRN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1 ZINC000032126672 556535748 /nfs/dbraw/zinc/53/57/48/556535748.db2.gz WDNHKUDWCYRYMF-UHFFFAOYSA-N 0 0 438.538 3.605 40 0 IHABRN COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508585 556540085 /nfs/dbraw/zinc/54/00/85/556540085.db2.gz SQNYYHOQUWRLJC-MOPGFXCFSA-N 0 0 436.986 3.619 40 0 IHABRN COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)n2c3ccccc3nc21 ZINC000032581139 556541884 /nfs/dbraw/zinc/54/18/84/556541884.db2.gz CPAHTPLXOBNYDA-GOSISDBHSA-N 0 0 442.903 3.651 40 0 IHABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000032640477 556545116 /nfs/dbraw/zinc/54/51/16/556545116.db2.gz MMQVPQWVJQXAQN-DOTOQJQBSA-N 0 0 428.913 3.893 40 0 IHABRN COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(=O)N1CCCCC1 ZINC000013667615 556548681 /nfs/dbraw/zinc/54/86/81/556548681.db2.gz KAWXFAFOCIYMCL-UHFFFAOYSA-N 0 0 446.569 3.587 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(Cl)cc2)cc1 ZINC000013669396 556550168 /nfs/dbraw/zinc/55/01/68/556550168.db2.gz SVGZTAGWGAHZRH-MRXNPFEDSA-N 0 0 436.961 3.802 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1c2ccccc2C[C@H]1C ZINC000013669695 556550444 /nfs/dbraw/zinc/55/04/44/556550444.db2.gz POWPXTGATIQJDR-QGZVFWFLSA-N 0 0 428.554 3.851 40 0 IHABRN COc1cccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccccc2)c1 ZINC000013670914 556551789 /nfs/dbraw/zinc/55/17/89/556551789.db2.gz IVHXUQFDXWPBOW-SFHVURJKSA-N 0 0 436.533 3.868 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000013672290 556552670 /nfs/dbraw/zinc/55/26/70/556552670.db2.gz QCQFPBJWMCMSKF-UHFFFAOYSA-N 0 0 432.542 3.566 40 0 IHABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(C[C@@H]1CCCO1)C(=O)c1ccccn1 ZINC000015935960 556565992 /nfs/dbraw/zinc/56/59/92/556565992.db2.gz OCUNOQAXCJBEFB-GBXCKJPGSA-N 0 0 447.510 3.900 40 0 IHABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cc1 ZINC000015960311 556569344 /nfs/dbraw/zinc/56/93/44/556569344.db2.gz FMGLPYXOSZLLSF-UHFFFAOYSA-N 0 0 426.513 3.932 40 0 IHABRN O=C(/C=C/c1cc2cccc3c2n(c1=O)CCC3)N1CCN(c2cccc(Cl)c2)CC1 ZINC000036625767 556598886 /nfs/dbraw/zinc/59/88/86/556598886.db2.gz ISFHQNNFPJLDHI-MDZDMXLPSA-N 0 0 433.939 3.963 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1c(Cl)cccc1Cl ZINC000016384053 556604238 /nfs/dbraw/zinc/60/42/38/556604238.db2.gz JWJGLXOGDZCLGW-UHFFFAOYSA-N 0 0 429.325 3.795 40 0 IHABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2ccccc21 ZINC000038753076 556616237 /nfs/dbraw/zinc/61/62/37/556616237.db2.gz PADFVZLMTITOOI-OAHLLOKOSA-N 0 0 434.823 3.525 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccc(C)cc2)cc1 ZINC000038753124 556616246 /nfs/dbraw/zinc/61/62/46/556616246.db2.gz KXLWYPAFUIIVNC-UHFFFAOYSA-N 0 0 442.512 3.654 40 0 IHABRN C[C@@H]1COC[C@@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2F)n1 ZINC000016609684 556617337 /nfs/dbraw/zinc/61/73/37/556617337.db2.gz LBCNLYIAELZNFR-HZPDHXFCSA-N 0 0 431.475 3.539 40 0 IHABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3OC)cc2Cl)CC1 ZINC000016681594 556624141 /nfs/dbraw/zinc/62/41/41/556624141.db2.gz OXVBGEIDURAOFQ-UHFFFAOYSA-N 0 0 432.977 3.617 40 0 IHABRN CCOC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H](OC(=O)Cc1ccccc1)c1ccccc1 ZINC000016682156 556624529 /nfs/dbraw/zinc/62/45/29/556624529.db2.gz QIKMZCUNAXHQOA-UIOOFZCWSA-N 0 0 445.515 3.804 40 0 IHABRN C[C@@]1(O)CCN(C(=O)NC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289367 556625741 /nfs/dbraw/zinc/62/57/41/556625741.db2.gz JAUSUXXBPYSNSJ-SXWKCWPCSA-N 0 0 433.618 3.963 40 0 biogenic,in-vitro IHABRN C[C@@]1(O)CCN(C(=O)c2ccccc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290274 556626382 /nfs/dbraw/zinc/62/63/82/556626382.db2.gz WYCUAOPPXBZMHX-SXWKCWPCSA-N 0 0 430.545 3.900 40 0 biogenic,in-vitro IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000016692305 556627593 /nfs/dbraw/zinc/62/75/93/556627593.db2.gz UNKJXHLICYJPLX-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccccc2Cl)cc1Cl ZINC000039986482 556633037 /nfs/dbraw/zinc/63/30/37/556633037.db2.gz DCVYVKQTKRXWGI-UHFFFAOYSA-N 0 0 445.368 3.719 40 0 IHABRN CCN(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986892 556633210 /nfs/dbraw/zinc/63/32/10/556633210.db2.gz FSTJOTJIWKKGFV-UHFFFAOYSA-N 0 0 428.510 3.506 40 0 IHABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000040390621 556637271 /nfs/dbraw/zinc/63/72/71/556637271.db2.gz PIXGVSSCVNFDEZ-GJZGRUSLSA-N 0 0 443.935 3.565 40 0 IHABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 ZINC000040390635 556637347 /nfs/dbraw/zinc/63/73/47/556637347.db2.gz GQLWKRQMKWZYLG-KGLIPLIRSA-N 0 0 443.935 3.565 40 0 IHABRN COCc1nn2c(nnc3c2ccn(Cc2ccc(C)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392119 556638071 /nfs/dbraw/zinc/63/80/71/556638071.db2.gz VPUFSBUUXMTLHB-UHFFFAOYSA-N 0 0 429.455 3.748 40 0 IHABRN COc1ccc(CCn2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)cc1OC ZINC000040398314 556640008 /nfs/dbraw/zinc/64/00/08/556640008.db2.gz DMEJFJASOZUWAU-UHFFFAOYSA-N 0 0 445.454 3.505 40 0 IHABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399214 556641813 /nfs/dbraw/zinc/64/18/13/556641813.db2.gz NDVXODZMIWGPLQ-LLVKDONJSA-N 0 0 444.278 3.885 40 0 IHABRN COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 ZINC000040400061 556642967 /nfs/dbraw/zinc/64/29/67/556642967.db2.gz KODUIRCHXYUSDA-MRXNPFEDSA-N 0 0 447.495 3.710 40 0 IHABRN Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)cc1 ZINC000040400533 556643324 /nfs/dbraw/zinc/64/33/24/556643324.db2.gz GUTCKXYJKFUDCY-CQSZACIVSA-N 0 0 437.887 3.848 40 0 IHABRN CCS(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000044884368 556674966 /nfs/dbraw/zinc/67/49/66/556674966.db2.gz ZPRPYCZFWYZZFE-HXUWFJFHSA-N 0 0 446.569 3.518 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000044902026 556678228 /nfs/dbraw/zinc/67/82/28/556678228.db2.gz IXTWKXIROWOWLP-UHFFFAOYSA-N 0 0 442.512 3.736 40 0 IHABRN COc1ccc(-c2ncc(CN3CCC(NC(C)=O)(c4ccccc4F)CC3)cn2)cc1 ZINC000019021175 556693963 /nfs/dbraw/zinc/69/39/63/556693963.db2.gz DYOPKBRBKYETSJ-UHFFFAOYSA-N 0 0 434.515 3.919 40 0 IHABRN CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)Oc2ccccc21 ZINC000260408684 556694102 /nfs/dbraw/zinc/69/41/02/556694102.db2.gz HJWZZTIDQIAEJF-KNQAVFIVSA-N 0 0 446.569 3.516 40 0 IHABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc43)cc2c1 ZINC000000782117 556694200 /nfs/dbraw/zinc/69/42/00/556694200.db2.gz FJPWZCMDOCCZFN-JOCHJYFZSA-N 0 0 428.540 3.984 40 0 IHABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 ZINC000019022335 556694274 /nfs/dbraw/zinc/69/42/74/556694274.db2.gz GCNRFQVWNCICPX-OAQYLSRUSA-N 0 0 430.512 3.540 40 0 IHABRN CC(C)(C)c1ccc(OCC(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000019084485 556698423 /nfs/dbraw/zinc/69/84/23/556698423.db2.gz KAVBYJNIYDSURS-KRWDZBQOSA-N 0 0 432.524 3.937 40 0 IHABRN O=C(c1ccccc1Cn1ccnc1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257205399 556701587 /nfs/dbraw/zinc/70/15/87/556701587.db2.gz AYVSTCLUBRSCNT-RDGATRHJSA-N 0 0 435.499 3.913 40 0 IHABRN Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)c2oc(C)nc2C)on1 ZINC000019123590 556702163 /nfs/dbraw/zinc/70/21/63/556702163.db2.gz OTUFIUJKVCZHNU-UHFFFAOYSA-N 0 0 446.511 3.953 40 0 IHABRN Cc1cc2c(cc1C(=O)c1ccco1)N(CC(=O)NCc1ccccc1)C(=O)C(C)(C)O2 ZINC000019124965 556702810 /nfs/dbraw/zinc/70/28/10/556702810.db2.gz VSNGKAFORJTXTD-UHFFFAOYSA-N 0 0 432.476 3.639 40 0 IHABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)Cc3ccc(N(C)C)cc3)C1)N2 ZINC000019128028 556703762 /nfs/dbraw/zinc/70/37/62/556703762.db2.gz QSCQZWHMNFHKCD-YZGWKJHDSA-N 0 0 431.531 3.729 40 0 IHABRN Cc1cc(OC[C@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)cc(C)c1Cl ZINC000257314822 556703878 /nfs/dbraw/zinc/70/38/78/556703878.db2.gz UYPZHRHBIAEGCH-QHCPKHFHSA-N 0 0 434.939 3.618 40 0 IHABRN Cc1ccc(C(=O)N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)cc1 ZINC000019135197 556705832 /nfs/dbraw/zinc/70/58/32/556705832.db2.gz LWUQEDQUPYMWRK-QFIPXVFZSA-N 0 0 443.551 3.703 40 0 IHABRN Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C(=O)C5CCCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019135511 556706210 /nfs/dbraw/zinc/70/62/10/556706210.db2.gz PZGDVFMFQMLZLK-HXUWFJFHSA-N 0 0 448.567 3.585 40 0 IHABRN CN(C(=O)c1ccc(F)cc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257335492 556706283 /nfs/dbraw/zinc/70/62/83/556706283.db2.gz YKIZAXWBWMEANC-BKJGCJBKSA-N 0 0 441.543 3.895 40 0 IHABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257341830 556706963 /nfs/dbraw/zinc/70/69/63/556706963.db2.gz ZMCWUOCRRIHMRE-NOZRDPDXSA-N 0 0 435.499 3.913 40 0 IHABRN Cc1cc(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)C2)cc(C)c1Cl ZINC000257342377 556707365 /nfs/dbraw/zinc/70/73/65/556707365.db2.gz ZOICAPZPLCPUSV-HSZRJFAPSA-N 0 0 434.939 3.618 40 0 IHABRN 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556719675 /nfs/dbraw/zinc/71/96/75/556719675.db2.gz NYASKETXONXZLO-HHHXNRCGSA-N 0 0 428.532 3.530 40 0 IHABRN Cc1ccnn1CCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(C)c3)c2)(C(N)=O)C1 ZINC000019235429 556719948 /nfs/dbraw/zinc/71/99/48/556719948.db2.gz HMYPBASTAFZQJE-HHHXNRCGSA-N 0 0 444.579 3.894 40 0 IHABRN CCOc1ccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000260453320 556720217 /nfs/dbraw/zinc/72/02/17/556720217.db2.gz JHEUKBNNCSLQTA-JXFKEZNVSA-N 0 0 446.569 3.658 40 0 IHABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2ccccn2)C1 ZINC000019235487 556720197 /nfs/dbraw/zinc/72/01/97/556720197.db2.gz MXXOSAMOKCYTNE-MHZLTWQESA-N 0 0 427.548 3.807 40 0 IHABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000260455440 556720443 /nfs/dbraw/zinc/72/04/43/556720443.db2.gz QQMGNYOJMKPOKP-CVEARBPZSA-N 0 0 438.977 3.997 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(C)c(C)c3)C2)cc1 ZINC000260453379 556720463 /nfs/dbraw/zinc/72/04/63/556720463.db2.gz 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ZINC000019694854 556851088 /nfs/dbraw/zinc/85/10/88/556851088.db2.gz MDGWZKFCJPDAFI-LJQANCHMSA-N 0 0 449.555 3.772 40 0 IHABRN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019696199 556853283 /nfs/dbraw/zinc/85/32/83/556853283.db2.gz AZFZHDPEJBSTLT-QFIPXVFZSA-N 0 0 441.535 3.566 40 0 IHABRN CCOc1ccc(N(CC(=O)NC(C)(C)CC)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000008994983 556853540 /nfs/dbraw/zinc/85/35/40/556853540.db2.gz KRRQESONCOCKMP-UHFFFAOYSA-N 0 0 440.544 3.537 40 0 IHABRN COc1c(C)cccc1CN1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697580 556855039 /nfs/dbraw/zinc/85/50/39/556855039.db2.gz DMVUMDSANNKXDE-LJQANCHMSA-N 0 0 440.565 3.514 40 0 IHABRN CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2cccc(F)c2)n1 ZINC000019700914 556860413 /nfs/dbraw/zinc/86/04/13/556860413.db2.gz JJZJNOJIIZTEAD-KRWDZBQOSA-N 0 0 437.494 3.949 40 0 IHABRN Cc1cc2sc(NC(=O)c3ccc([C@@H]4CCCN(S(C)(=O)=O)C4)nc3)nc2c(C)c1 ZINC000019706066 556863975 /nfs/dbraw/zinc/86/39/75/556863975.db2.gz FVMHNJDSXDOYGW-MRXNPFEDSA-N 0 0 444.582 3.699 40 0 IHABRN Cc1nc(C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019706673 556864930 /nfs/dbraw/zinc/86/49/30/556864930.db2.gz KOSOKVHZWSJEQS-QFIPXVFZSA-N 0 0 449.599 3.798 40 0 IHABRN Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019707030 556866247 /nfs/dbraw/zinc/86/62/47/556866247.db2.gz IWNBKGVVCCLCQF-OAQYLSRUSA-N 0 0 444.583 3.534 40 0 IHABRN CNc1nc([C@H]2CCCN2C(=O)C2(c3ccc(F)cc3)CCCC2)nc2c1CCN(C)C2 ZINC000019707397 556866827 /nfs/dbraw/zinc/86/68/27/556866827.db2.gz FMVHRLKCSYHJDU-OAQYLSRUSA-N 0 0 437.563 3.821 40 0 IHABRN Cc1nc([C@H]2CCCCN2C(=O)c2nccn2C)nc2c1CCCN2CCc1ccccc1 ZINC000019707906 556868179 /nfs/dbraw/zinc/86/81/79/556868179.db2.gz GMMWADRCVUDDES-JOCHJYFZSA-N 0 0 444.583 3.881 40 0 IHABRN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)c1 ZINC000019708146 556868319 /nfs/dbraw/zinc/86/83/19/556868319.db2.gz MQCGWPPYDHKOGK-HSZRJFAPSA-N 0 0 441.597 3.815 40 0 IHABRN Cc1nc(C2CCN(C(=O)COC(C)C)CC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019739324 556877542 /nfs/dbraw/zinc/87/75/42/556877542.db2.gz QKVRTXHCTNLGHO-UHFFFAOYSA-N 0 0 442.604 3.776 40 0 IHABRN CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5c(c4)C[C@H](C)O5)CC3)nc21 ZINC000019739476 556878155 /nfs/dbraw/zinc/87/81/55/556878155.db2.gz KAUYPGGAHGYFJO-INIZCTEOSA-N 0 0 448.567 3.817 40 0 IHABRN CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5[nH]c(C)nc5c4)CC3)nc21 ZINC000019739535 556878371 /nfs/dbraw/zinc/87/83/71/556878371.db2.gz HXEKGOCWAWFWKB-UHFFFAOYSA-N 0 0 446.555 3.679 40 0 IHABRN COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(C)n2)CC(=O)N3CC2CC2)cc1 ZINC000019739690 556878828 /nfs/dbraw/zinc/87/88/28/556878828.db2.gz JAMOCVWCGCQZPF-QFIPXVFZSA-N 0 0 448.567 3.779 40 0 IHABRN Cc1nc(C2CCN(C(=O)COc3ccccc3)CC2)nc2c1CCC(=O)N2CC(C)C ZINC000019740125 556879853 /nfs/dbraw/zinc/87/98/53/556879853.db2.gz YQRGOBORBZNCQB-UHFFFAOYSA-N 0 0 436.556 3.505 40 0 IHABRN Cc1c(CN2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cnn1C ZINC000019740620 556881127 /nfs/dbraw/zinc/88/11/27/556881127.db2.gz HIWOMBJJZHNXNY-QFIPXVFZSA-N 0 0 430.556 3.643 40 0 IHABRN Cc1nn(C)cc1CN1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 ZINC000019740667 556881382 /nfs/dbraw/zinc/88/13/82/556881382.db2.gz LDCYUWHKANYOHD-QFIPXVFZSA-N 0 0 448.546 3.783 40 0 IHABRN CCn1cc(CN2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cn1 ZINC000019741745 556884704 /nfs/dbraw/zinc/88/47/04/556884704.db2.gz MDTVKQLEURHWNH-JOCHJYFZSA-N 0 0 430.556 3.818 40 0 IHABRN Cc1nc([C@H]2CCCN2C(=O)c2cc(C3CC3)n[nH]2)nc2c1CCC(=O)N2CCC(C)C ZINC000019741827 556885057 /nfs/dbraw/zinc/88/50/57/556885057.db2.gz YBDHWYVYHZQORB-HXUWFJFHSA-N 0 0 436.560 3.688 40 0 IHABRN COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(C)cc1)C(=O)CC2 ZINC000019741907 556885288 /nfs/dbraw/zinc/88/52/88/556885288.db2.gz XYKPIHHPYMJYKR-FQEVSTJZSA-N 0 0 436.556 3.661 40 0 IHABRN CCCn1ncc2ccc([C@@H]3CCCN(S(=O)(=O)c4cc(C)ccc4OC)C3)nc21 ZINC000019742474 556886410 /nfs/dbraw/zinc/88/64/10/556886410.db2.gz QFDSJRINGUXAJJ-GOSISDBHSA-N 0 0 428.558 3.727 40 0 IHABRN Cc1cnc2c(C(=O)N3CCC([C@H]4CCCCN(Cc5ccccc5)C4=O)CC3)cnn2c1 ZINC000019743945 556889092 /nfs/dbraw/zinc/88/90/92/556889092.db2.gz KVTSMRNCMIMCRJ-JOCHJYFZSA-N 0 0 445.567 3.719 40 0 IHABRN O=C(Cc1cccc(Br)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000072068346 556894566 /nfs/dbraw/zinc/89/45/66/556894566.db2.gz HYNZDTLXSIZGOX-UHFFFAOYSA-N 0 0 437.359 3.805 40 0 IHABRN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000019750578 556894599 /nfs/dbraw/zinc/89/45/99/556894599.db2.gz CUQUKARIGSCWGO-NRFANRHFSA-N 0 0 439.462 3.989 40 0 IHABRN Cc1nc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019754743 556897815 /nfs/dbraw/zinc/89/78/15/556897815.db2.gz GRYUNDHMIRZOIC-HXUWFJFHSA-N 0 0 430.556 3.523 40 0 IHABRN CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)nc2ccccc21 ZINC000019759677 556903395 /nfs/dbraw/zinc/90/33/95/556903395.db2.gz JFPIGALGUFBRCX-QHCPKHFHSA-N 0 0 449.555 3.612 40 0 IHABRN O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408970551 556904485 /nfs/dbraw/zinc/90/44/85/556904485.db2.gz BFLCZNTUJIGIAQ-UHFFFAOYSA-N 0 0 441.322 3.628 40 0 IHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408980220 556909073 /nfs/dbraw/zinc/90/90/73/556909073.db2.gz FDFGRTFFDCBHBZ-BXBHGGAKSA-N 0 0 444.965 3.513 40 0 IHABRN COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cn1 ZINC000019764752 556909217 /nfs/dbraw/zinc/90/92/17/556909217.db2.gz TWRQROXTYNHBBO-HXUWFJFHSA-N 0 0 449.486 3.947 40 0 IHABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)NC3CCCC3)C(=O)N1CC2 ZINC000072342067 556914619 /nfs/dbraw/zinc/91/46/19/556914619.db2.gz TYVKCNVEFHOFSM-XMMPIXPASA-N 0 0 435.524 3.650 40 0 IHABRN Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)s1 ZINC000072344782 556915606 /nfs/dbraw/zinc/91/56/06/556915606.db2.gz KBQYKQSSYRUBCP-QGZVFWFLSA-N 0 0 443.617 3.836 40 0 IHABRN CC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)c3ccccn3)o2)CC1 ZINC000072344866 556915765 /nfs/dbraw/zinc/91/57/65/556915765.db2.gz CXZHKKBUSVHQPZ-GOSISDBHSA-N 0 0 425.533 3.584 40 0 IHABRN CC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000409006167 556916062 /nfs/dbraw/zinc/91/60/62/556916062.db2.gz YBLFOAJLMHLDOT-CQSZACIVSA-N 0 0 431.396 3.687 40 0 IHABRN Cc1ccccc1NC(=O)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000409007609 556916453 /nfs/dbraw/zinc/91/64/53/556916453.db2.gz PTQRVOOJVGAPCO-HMAPJEAMSA-N 0 0 441.512 3.783 40 0 IHABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc1C ZINC000072345497 556917034 /nfs/dbraw/zinc/91/70/34/556917034.db2.gz WNLUPJJVROUOIV-FQEVSTJZSA-N 0 0 428.508 3.539 40 0 IHABRN CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)CCn4ncc5ccccc54)C3)c(=O)c12 ZINC000072347738 556918938 /nfs/dbraw/zinc/91/89/38/556918938.db2.gz PZGGTPPKKVJOOH-GOSISDBHSA-N 0 0 449.580 3.932 40 0 IHABRN Cn1nc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)ccc1=O ZINC000072350068 556920168 /nfs/dbraw/zinc/92/01/68/556920168.db2.gz HUGICXMXTLTRSX-MRXNPFEDSA-N 0 0 442.441 3.881 40 0 IHABRN CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1C ZINC000072350169 556920185 /nfs/dbraw/zinc/92/01/85/556920185.db2.gz XVIIXGSHDQLYEB-SFHVURJKSA-N 0 0 428.533 3.981 40 0 IHABRN Cc1nn([C@@H](C)CC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)c(C)c1C ZINC000072351791 556922495 /nfs/dbraw/zinc/92/24/95/556922495.db2.gz GGVQWOPNAZTIOC-AVRWGWEMSA-N 0 0 444.579 3.996 40 0 IHABRN COc1cccc(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3C)c2)c1OC ZINC000072351916 556922840 /nfs/dbraw/zinc/92/28/40/556922840.db2.gz UFEKXOCDUAXCIY-QHCPKHFHSA-N 0 0 444.531 3.863 40 0 IHABRN Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000072352122 556923066 /nfs/dbraw/zinc/92/30/66/556923066.db2.gz CAHZBFLYHWBWRR-UHFFFAOYSA-N 0 0 440.563 3.851 40 0 IHABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccnc1 ZINC000019820099 556923728 /nfs/dbraw/zinc/92/37/28/556923728.db2.gz ZZOAYGHLJOESQT-VXKWHMMOSA-N 0 0 426.476 3.747 40 0 IHABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccn1 ZINC000019820394 556923842 /nfs/dbraw/zinc/92/38/42/556923842.db2.gz DSMDTJHNZVTDDV-YADHBBJMSA-N 0 0 426.476 3.747 40 0 IHABRN CCc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000409029326 556925074 /nfs/dbraw/zinc/92/50/74/556925074.db2.gz ZEZIFVGMELXDJN-UHFFFAOYSA-N 0 0 441.018 3.718 40 0 IHABRN CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)c(C)n1 ZINC000072353215 556925866 /nfs/dbraw/zinc/92/58/66/556925866.db2.gz KSIUPUKSRGVFEK-FQEVSTJZSA-N 0 0 440.573 3.969 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000409027756 556926977 /nfs/dbraw/zinc/92/69/77/556926977.db2.gz GYQIXXDZVZNPFY-UHFFFAOYSA-N 0 0 438.537 3.654 40 0 IHABRN COc1cccc(N(C)CCC(=O)N2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)c1 ZINC000072353485 556927046 /nfs/dbraw/zinc/92/70/46/556927046.db2.gz YRTKFKGBMQBNQM-LJQANCHMSA-N 0 0 446.555 3.856 40 0 IHABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 ZINC000072353957 556928593 /nfs/dbraw/zinc/92/85/93/556928593.db2.gz QLGVJPJCGSWADB-NRFANRHFSA-N 0 0 427.976 3.672 40 0 IHABRN Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019866402 556934503 /nfs/dbraw/zinc/93/45/03/556934503.db2.gz LPCVIEFRSGUOFZ-NRFANRHFSA-N 0 0 449.016 3.939 40 0 IHABRN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1scnc1C ZINC000072370365 556934663 /nfs/dbraw/zinc/93/46/63/556934663.db2.gz QUKOLBGBVNYDFD-OAHLLOKOSA-N 0 0 443.594 3.890 40 0 IHABRN Cc1noc(CCC(=O)N2CCCC[C@@H]2Cc2c3ccccc3sc2C(=O)N(C)C)n1 ZINC000072370509 556935106 /nfs/dbraw/zinc/93/51/06/556935106.db2.gz TUNJTSYVMPEPOC-MRXNPFEDSA-N 0 0 440.569 3.851 40 0 IHABRN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCc1nonc1C ZINC000072370793 556936516 /nfs/dbraw/zinc/93/65/16/556936516.db2.gz ZTQYVOMNWHEVJP-INIZCTEOSA-N 0 0 426.542 3.856 40 0 IHABRN Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CCC(=O)N2CC1CC1 ZINC000072371128 556937611 /nfs/dbraw/zinc/93/76/11/556937611.db2.gz WYCXTQAYIZYFAV-IBGZPJMESA-N 0 0 436.531 3.562 40 0 IHABRN O=C(CN1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1)NC1CCCCC1 ZINC000072371250 556937973 /nfs/dbraw/zinc/93/79/73/556937973.db2.gz FSWGUHCKQHCSTL-INIZCTEOSA-N 0 0 432.515 3.548 40 0 IHABRN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000409055708 556938820 /nfs/dbraw/zinc/93/88/20/556938820.db2.gz PJUQUPASMBOSHP-UHFFFAOYSA-N 0 0 437.569 3.884 40 0 IHABRN CCn1ccc(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)n1 ZINC000072371670 556939990 /nfs/dbraw/zinc/93/99/90/556939990.db2.gz MNVLXPCQMXPCCO-OAHLLOKOSA-N 0 0 447.461 3.896 40 0 IHABRN Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)C[C@]1(Cc2ccccc2)CCOC(C)(C)C1 ZINC000072373137 556945355 /nfs/dbraw/zinc/94/53/55/556945355.db2.gz AIFNHELYYMAJTM-PBDKAQRYSA-N 0 0 449.595 3.745 40 0 IHABRN CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930374 556948085 /nfs/dbraw/zinc/94/80/85/556948085.db2.gz FHWVZVPPNPQVKG-ZDUSSCGKSA-N 0 0 445.368 3.890 40 0 IHABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000019930899 556948557 /nfs/dbraw/zinc/94/85/57/556948557.db2.gz HNFGFTWOXOAHJH-LJQANCHMSA-N 0 0 448.466 3.941 40 0 IHABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3OC)C2=O)cc1 ZINC000409089627 556951331 /nfs/dbraw/zinc/95/13/31/556951331.db2.gz OHZTWFWDDTZHQL-LDADJPATSA-N 0 0 442.493 3.778 40 0 IHABRN COc1cc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(OC)cc1Cl ZINC000019937711 556951727 /nfs/dbraw/zinc/95/17/27/556951727.db2.gz FWOXSAMQZNGJOZ-UHFFFAOYSA-N 0 0 434.279 3.942 40 0 IHABRN COc1ccc([C@@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1OC ZINC000019937730 556951733 /nfs/dbraw/zinc/95/17/33/556951733.db2.gz VYBDFPMTOHZPQK-CYBMUJFWSA-N 0 0 427.888 3.527 40 0 IHABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)cc3OC)C2=O)cc1 ZINC000409104076 556952660 /nfs/dbraw/zinc/95/26/60/556952660.db2.gz DGYQPKGVUAGGIM-YBFXNURJSA-N 0 0 442.493 3.778 40 0 IHABRN COc1cccc(N(C)CCC(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375867 556953317 /nfs/dbraw/zinc/95/33/17/556953317.db2.gz STBSRHGHYBHFBV-OAQYLSRUSA-N 0 0 432.528 3.814 40 0 IHABRN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1 ZINC000072375870 556953680 /nfs/dbraw/zinc/95/36/80/556953680.db2.gz MTRDGFUAMIXFPK-OAQYLSRUSA-N 0 0 437.569 3.941 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1C ZINC000072376357 556954402 /nfs/dbraw/zinc/95/44/02/556954402.db2.gz XCZXQYNRNFJFOW-IBGZPJMESA-N 0 0 439.541 3.766 40 0 IHABRN Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1 ZINC000072376329 556954459 /nfs/dbraw/zinc/95/44/59/556954459.db2.gz OSYOZIWEYAIJDT-LJQANCHMSA-N 0 0 442.520 3.600 40 0 IHABRN Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072377232 556956017 /nfs/dbraw/zinc/95/60/17/556956017.db2.gz GPIYSTGCJFPZBE-KRWDZBQOSA-N 0 0 447.948 3.900 40 0 IHABRN CCc1nn2c(nnc3c2ccn(-c2cc(OC)ccc2OC)c3=O)c1-c1ccc(F)cc1 ZINC000019962752 556956130 /nfs/dbraw/zinc/95/61/30/556956130.db2.gz HJHVNVXVGVESOQ-UHFFFAOYSA-N 0 0 445.454 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CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cnn(C3CCCCC3)c2)CCO1 ZINC000019703202 569232878 /nfs/dbraw/zinc/23/28/78/569232878.db2.gz QNYHLCOFVXTTRN-IBGZPJMESA-N 0 0 439.585 3.931 40 0 IHABRN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000019703188 569232897 /nfs/dbraw/zinc/23/28/97/569232897.db2.gz JWOQCZNCGIIUEP-MRXNPFEDSA-N 0 0 427.574 3.592 40 0 IHABRN Cc1nccn1CCC(=O)N1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000019704694 569233626 /nfs/dbraw/zinc/23/36/26/569233626.db2.gz NYVMLAAPGMIVQP-INIZCTEOSA-N 0 0 447.461 3.919 40 0 IHABRN Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 ZINC000019705080 569233732 /nfs/dbraw/zinc/23/37/32/569233732.db2.gz XOCAOLYXAMJEBX-GOSISDBHSA-N 0 0 449.555 3.561 40 0 IHABRN COc1cccc(CC(=O)N2CC[C@@H](c3ccc4c(NCc5ccccn5)n[nH]c4n3)C2)c1 ZINC000019704940 569233807 /nfs/dbraw/zinc/23/38/07/569233807.db2.gz WMQNYCAWJRJUMU-GOSISDBHSA-N 0 0 442.523 3.532 40 0 IHABRN Cc1oc2c(c1C(=O)N1CC[C@H](c3ccc4c(NC5CCOCC5)n[nH]c4n3)C1)CCCC2 ZINC000019705149 569233968 /nfs/dbraw/zinc/23/39/68/569233968.db2.gz ARDQTWFQEMZOCN-INIZCTEOSA-N 0 0 449.555 3.959 40 0 IHABRN COCCC(=O)N1CCC[C@@](O)(c2nc(C)c(COc3ccc(F)c(F)c3)s2)CC1 ZINC000019705202 569234006 /nfs/dbraw/zinc/23/40/06/569234006.db2.gz JOLMIPGWMZODRC-NRFANRHFSA-N 0 0 440.512 3.545 40 0 IHABRN Cc1ccc(S(=O)(=O)N2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)cc1C ZINC000019712128 569235154 /nfs/dbraw/zinc/23/51/54/569235154.db2.gz KXPXLJZBUGNCKA-WTIAFYNJSA-N 0 0 444.572 3.876 40 0 IHABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3cnn4c3nc(C)cc4C)c2)C1 ZINC000019712221 569235237 /nfs/dbraw/zinc/23/52/37/569235237.db2.gz RGMHAYHOYNTPKA-MZYLBHOOSA-N 0 0 449.555 3.979 40 0 IHABRN CCN(C(=O)c1ccnn1C)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 ZINC000019712720 569235430 /nfs/dbraw/zinc/23/54/30/569235430.db2.gz MSOZLBSTUCUDTL-IRLDBZIGSA-N 0 0 447.539 3.758 40 0 IHABRN Cc1cc(N2CC[C@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)CC4)C2)nc(C)n1 ZINC000019738880 569236175 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0 IHABRN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1 ZINC000009974257 557195120 /nfs/dbraw/zinc/19/51/20/557195120.db2.gz XOJCMDYVPVGGPD-HNNXBMFYSA-N 0 0 437.359 3.797 40 0 IHABRN O=C(c1ccccc1Cn1cccn1)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCCC(=O)N2 ZINC000585261684 557195411 /nfs/dbraw/zinc/19/54/11/557195411.db2.gz HDGGLQBPUMZSDI-JYFHCDHNSA-N 0 0 446.526 3.739 40 0 IHABRN O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1 ZINC000585261823 557196981 /nfs/dbraw/zinc/19/69/81/557196981.db2.gz QOLSDSAJTDZEBF-LJQANCHMSA-N 0 0 427.508 3.804 40 0 IHABRN Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)C3CCC3)sc2C1 ZINC000096332628 557199456 /nfs/dbraw/zinc/19/94/56/557199456.db2.gz ADFBKYWQGNCPNY-UHFFFAOYSA-N 0 0 427.555 3.636 40 0 IHABRN Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5n[nH]cc5c4)C3)CCOCC2)c1 ZINC000585262092 557200432 /nfs/dbraw/zinc/20/04/32/557200432.db2.gz VTPRRAJSTQZDNU-QFIPXVFZSA-N 0 0 447.579 3.946 40 0 IHABRN COc1ccc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)cc1NCc1ccncc1 ZINC000585262093 557200626 /nfs/dbraw/zinc/20/06/26/557200626.db2.gz VWKAGPHUXCYEMU-HSZRJFAPSA-N 0 0 446.551 3.840 40 0 IHABRN O=C(NCCSC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000025248946 557201229 /nfs/dbraw/zinc/20/12/29/557201229.db2.gz DPLGMKIEMJFBIT-OAHLLOKOSA-N 0 0 431.023 3.533 40 0 IHABRN COc1ccccc1CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585263207 557203722 /nfs/dbraw/zinc/20/37/22/557203722.db2.gz MZFZLJAYZXGQOO-LGKPFJOYSA-N 0 0 442.556 3.601 40 0 IHABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCCc1ccccc1 ZINC000010110277 557203791 /nfs/dbraw/zinc/20/37/91/557203791.db2.gz AVRJQFDRAPRMKN-UHFFFAOYSA-N 0 0 426.513 3.770 40 0 IHABRN Cc1ccc(C(=O)Nc2ccc(I)cc2C)cc1NS(C)(=O)=O ZINC000010315080 557216573 /nfs/dbraw/zinc/21/65/73/557216573.db2.gz AOYXLAKLZRNHCG-UHFFFAOYSA-N 0 0 444.294 3.532 40 0 IHABRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCc4ccccc43)Oc3ccccc32)cc1 ZINC000010449360 557219985 /nfs/dbraw/zinc/21/99/85/557219985.db2.gz GJRDFWXMAJIZMM-HSZRJFAPSA-N 0 0 434.517 3.541 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 ZINC000010441783 557220589 /nfs/dbraw/zinc/22/05/89/557220589.db2.gz QHMDSJJZRJTQKV-UHFFFAOYSA-N 0 0 430.526 3.599 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 ZINC000010441788 557220611 /nfs/dbraw/zinc/22/06/11/557220611.db2.gz UMUFXYXYJXHCAY-UHFFFAOYSA-N 0 0 444.553 3.845 40 0 IHABRN COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000010440746 557220661 /nfs/dbraw/zinc/22/06/61/557220661.db2.gz DDNKNVDOGMQXRT-LLVKDONJSA-N 0 0 445.324 3.573 40 0 IHABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3c4ccccc4C[C@@H]3C)Oc3ccccc32)cc1 ZINC000010449889 557221496 /nfs/dbraw/zinc/22/14/96/557221496.db2.gz SQSBMZHSIOLXTL-UUOWRZLLSA-N 0 0 448.544 3.929 40 0 IHABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C)n2)c(OC)c1 ZINC000219077590 557223727 /nfs/dbraw/zinc/22/37/27/557223727.db2.gz YXDIDQZADPYYSB-INIZCTEOSA-N 0 0 425.485 3.797 40 0 IHABRN CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21)N(c1ccccc1)S(C)(=O)=O ZINC000219086930 557223969 /nfs/dbraw/zinc/22/39/69/557223969.db2.gz KDAFFMNLAXPSJK-PMACEKPBSA-N 0 0 446.569 3.658 40 0 IHABRN CC[C@@H](NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000219088468 557224311 /nfs/dbraw/zinc/22/43/11/557224311.db2.gz ZWLKQVJYGUDOGW-MOPGFXCFSA-N 0 0 434.558 3.516 40 0 IHABRN CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000219093964 557224933 /nfs/dbraw/zinc/22/49/33/557224933.db2.gz QSAQJVOVDAXIBH-QFBILLFUSA-N 0 0 438.977 3.777 40 0 IHABRN CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000219095686 557225113 /nfs/dbraw/zinc/22/51/13/557225113.db2.gz ZXEPWXCHGJYPJB-FQEVSTJZSA-N 0 0 437.993 3.527 40 0 IHABRN CC[C@H](C(=O)NCc1ccc(OC(C)C)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000219096135 557225151 /nfs/dbraw/zinc/22/51/51/557225151.db2.gz YQRWERQPIDOLQR-HXUWFJFHSA-N 0 0 448.585 3.652 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C ZINC000219122282 557226962 /nfs/dbraw/zinc/22/69/62/557226962.db2.gz WLIBCXCCQWWKHE-NRFANRHFSA-N 0 0 446.569 3.972 40 0 IHABRN CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000219124319 557227291 /nfs/dbraw/zinc/22/72/91/557227291.db2.gz VHTNZGAGLHDRAJ-DENIHFKCSA-N 0 0 432.586 3.740 40 0 IHABRN CCOc1ccccc1CNC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O ZINC000219161868 557228917 /nfs/dbraw/zinc/22/89/17/557228917.db2.gz XHUKYLYBODRXKJ-UHFFFAOYSA-N 0 0 436.533 3.886 40 0 IHABRN CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc3c(c2)OCO3)S1(=O)=O ZINC000219178951 557229781 /nfs/dbraw/zinc/22/97/81/557229781.db2.gz IGSKKOVJXOJYAS-UHFFFAOYSA-N 0 0 434.473 3.593 40 0 IHABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000219225156 557231862 /nfs/dbraw/zinc/23/18/62/557231862.db2.gz PXGRYACJHHVCFY-LJQANCHMSA-N 0 0 444.553 3.711 40 0 IHABRN CC1(C)C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2O1 ZINC000219256474 557233930 /nfs/dbraw/zinc/23/39/30/557233930.db2.gz DSLGTOLHNUNNIN-QGZVFWFLSA-N 0 0 434.583 3.567 40 0 IHABRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000219286970 557235657 /nfs/dbraw/zinc/23/56/57/557235657.db2.gz NOJKQYKYNOZVBG-MRXNPFEDSA-N 0 0 426.922 3.610 40 0 IHABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000219286686 557235733 /nfs/dbraw/zinc/23/57/33/557235733.db2.gz BEFJGRBEORILQU-QGZVFWFLSA-N 0 0 438.933 3.752 40 0 IHABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000219322472 557237691 /nfs/dbraw/zinc/23/76/91/557237691.db2.gz NTKFHVDDQSMENK-MRXNPFEDSA-N 0 0 431.876 3.881 40 0 IHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000219329311 557238084 /nfs/dbraw/zinc/23/80/84/557238084.db2.gz LWMPHVWPLMSYML-SFHVURJKSA-N 0 0 429.448 3.709 40 0 IHABRN Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000260591966 557242529 /nfs/dbraw/zinc/24/25/29/557242529.db2.gz ODVMYIMDGRJGLI-SJORKVTESA-N 0 0 438.977 3.695 40 0 IHABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c(OC)c1 ZINC000057315808 557245817 /nfs/dbraw/zinc/24/58/17/557245817.db2.gz NFIQFFHCJDTSSS-UHFFFAOYSA-N 0 0 426.494 3.891 40 0 IHABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1 ZINC000057316284 557246635 /nfs/dbraw/zinc/24/66/35/557246635.db2.gz TXUZLJLUQVKELY-UHFFFAOYSA-N 0 0 438.597 3.817 40 0 IHABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)CC1 ZINC000057316495 557248044 /nfs/dbraw/zinc/24/80/44/557248044.db2.gz VZSYLLZDHDOYFS-ZHACJKMWSA-N 0 0 440.569 3.501 40 0 IHABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000057316579 557248932 /nfs/dbraw/zinc/24/89/32/557248932.db2.gz UTSXGAGPONRLGZ-UHFFFAOYSA-N 0 0 442.560 3.647 40 0 IHABRN CC(C)C(=O)N1CCc2nc3cc(C4CC[NH+](C[C@@H]5CC=CCC5)CC4)[n-]n3c(=O)c2C1 ZINC000100232698 557249924 /nfs/dbraw/zinc/24/99/24/557249924.db2.gz QBBQDCXXEWIFTG-GOSISDBHSA-N 0 0 437.588 3.511 40 0 IHABRN O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCC[N@@H+]4Cc4ccsc4)[n-]n3c(=O)c2C1 ZINC000100233930 557251553 /nfs/dbraw/zinc/25/15/53/557251553.db2.gz HHVCZIMFWFUWHV-HXUWFJFHSA-N 0 0 437.569 3.518 40 0 IHABRN CCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@@H+]4Cc4csc(C)c4)[n-]n3c(=O)c2C1 ZINC000100234015 557251941 /nfs/dbraw/zinc/25/19/41/557251941.db2.gz CSBWHRZLIYVQKQ-HXUWFJFHSA-N 0 0 439.585 3.827 40 0 IHABRN COc1cccc(-c2noc(CNC(=O)CCCN3c4cccc5cccc(c45)C3=O)n2)c1 ZINC000219474250 557252691 /nfs/dbraw/zinc/25/26/91/557252691.db2.gz UPLSCLDUOQYYNF-UHFFFAOYSA-N 0 0 442.475 3.955 40 0 IHABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)c(OC)c1 ZINC000219523018 557254709 /nfs/dbraw/zinc/25/47/09/557254709.db2.gz AGJOOYXDJHTPMC-INIZCTEOSA-N 0 0 425.485 3.797 40 0 IHABRN Cc1onc(C(C)C)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc21 ZINC000012736362 557255990 /nfs/dbraw/zinc/25/59/90/557255990.db2.gz GGPXSXALZIEERE-RVKKMQEKSA-N 0 0 441.576 3.954 40 0 IHABRN CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2cccc(C)c2C)CC1 ZINC000057671355 557257262 /nfs/dbraw/zinc/25/72/62/557257262.db2.gz FBUYMLBHQUYIHJ-QFIPXVFZSA-N 0 0 448.571 3.730 40 0 IHABRN CCOCCCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000057743658 557258169 /nfs/dbraw/zinc/25/81/69/557258169.db2.gz MIUIBIDEPIIUMY-UHFFFAOYSA-N 0 0 433.556 3.944 40 0 IHABRN O=C(NC1CCCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869965 557259651 /nfs/dbraw/zinc/25/96/51/557259651.db2.gz FCOSWHNNSSKQOF-FQEVSTJZSA-N 0 0 439.516 3.909 40 0 IHABRN CCOc1ccc(CNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1OCC ZINC000219618383 557259820 /nfs/dbraw/zinc/25/98/20/557259820.db2.gz QOMZFAOIEJXQAR-UHFFFAOYSA-N 0 0 448.585 3.655 40 0 IHABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000219690839 557262631 /nfs/dbraw/zinc/26/26/31/557262631.db2.gz UFBHSSOVBFBNSA-ACJLOTCBSA-N 0 0 440.359 3.887 40 0 IHABRN CCOC(=O)c1cc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000219726361 557265784 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BJCYAOXMUXVNFN-JOCHJYFZSA-N 0 0 428.554 3.648 40 0 IHABRN CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000260845533 557861784 /nfs/dbraw/zinc/86/17/84/557861784.db2.gz SRZAAZHADZRGBL-CABCVRRESA-N 0 0 438.977 3.943 40 0 IHABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OC)c(C)c1 ZINC000260888467 557862842 /nfs/dbraw/zinc/86/28/42/557862842.db2.gz AVWBCPYWCHPRHZ-RBBKRZOGSA-N 0 0 444.597 3.980 40 0 IHABRN CC(C)=CCc1c2c(c(O)c3c1O[C@H]1Oc4cc(O)ccc4[C@@]1(O)C3=O)C=CC(C)(C)O2 ZINC000015203535 560229140 /nfs/dbraw/zinc/22/91/40/560229140.db2.gz DQNIDSLDXGTEPL-ILBGXUMGSA-N 0 0 436.460 3.972 40 0 biogenic,in-vitro IHABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002456898 562927865 /nfs/dbraw/zinc/92/78/65/562927865.db2.gz PVKTUPSPVOCINT-CYBMUJFWSA-N 0 0 432.527 3.614 40 0 IHABRN Cc1cc(OCC2(O)CCN(CC(=O)NCCc3ccccc3)CC2)cc(C)c1Cl ZINC000585274570 568618420 /nfs/dbraw/zinc/61/84/20/568618420.db2.gz WWNXPJKRPSKTRX-UHFFFAOYSA-N 0 0 430.976 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449.599 3.649 40 0 IHABRN CC(C)N(C(=O)CN1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1)C1CCCCC1 ZINC000257272899 568698732 /nfs/dbraw/zinc/69/87/32/568698732.db2.gz NEHNKBSLJABDFQ-NRFANRHFSA-N 0 0 438.576 3.558 40 0 IHABRN Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)cc1 ZINC000257273309 568699199 /nfs/dbraw/zinc/69/91/99/568699199.db2.gz NGBOSVDHUBFACE-UTKZUKDTSA-N 0 0 434.584 3.733 40 0 IHABRN CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3cccc(C)n3)nn2c1C ZINC000257284379 568704036 /nfs/dbraw/zinc/70/40/36/568704036.db2.gz PCLGAIQQOBDGOK-QHCPKHFHSA-N 0 0 434.588 3.845 40 0 IHABRN Cc1nc2cc([C@H]3CCCN3Cc3cccnc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257288315 568705848 /nfs/dbraw/zinc/70/58/48/568705848.db2.gz PTSPJLSFIVIUNR-HSZRJFAPSA-N 0 0 432.572 3.537 40 0 IHABRN Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(CCOc5ccc(F)cc5)n[nH]4)C3)c2c1 ZINC000257288638 568706317 /nfs/dbraw/zinc/70/63/17/568706317.db2.gz PVAXLRWOBNHTPX-QFIPXVFZSA-N 0 0 449.486 3.569 40 0 IHABRN 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555991701 /nfs/dbraw/zinc/99/17/01/555991701.db2.gz NTUKRQNBOVLDCJ-UHFFFAOYSA-N 0 0 432.542 3.523 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000408626734 555997568 /nfs/dbraw/zinc/99/75/68/555997568.db2.gz WGLSVEAQXWOMFB-CYBMUJFWSA-N 0 0 430.448 3.718 40 0 IHABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl ZINC000408635566 556013434 /nfs/dbraw/zinc/01/34/34/556013434.db2.gz DYVOVHLKWVEXMT-UHFFFAOYSA-N 0 0 440.949 3.835 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(F)c3)C2)cc1Cl ZINC000408636000 556014631 /nfs/dbraw/zinc/01/46/31/556014631.db2.gz OBDPHWASEUYKHW-CQSZACIVSA-N 0 0 440.924 3.917 40 0 IHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000408635977 556014699 /nfs/dbraw/zinc/01/46/99/556014699.db2.gz MHHBBLLNWUMCGH-UHFFFAOYSA-N 0 0 444.597 3.543 40 0 IHABRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1 ZINC000408642252 556018278 /nfs/dbraw/zinc/01/82/78/556018278.db2.gz DUCOXNFYQOYXPY-OALUTQOASA-N 0 0 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556320877 /nfs/dbraw/zinc/32/08/77/556320877.db2.gz VPNKLDSSRQPTOI-UHFFFAOYSA-N 0 0 428.554 3.502 40 0 IHABRN Cc1cccc(Cn2c(SCCCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000010105211 556325239 /nfs/dbraw/zinc/32/52/39/556325239.db2.gz MABYFFKAWVSYAG-UHFFFAOYSA-N 0 0 434.565 3.515 40 0 IHABRN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000010156751 556326951 /nfs/dbraw/zinc/32/69/51/556326951.db2.gz QCZJTVWOIJTXMN-UHFFFAOYSA-N 0 0 449.894 3.843 40 0 IHABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCCOC)c(Br)c1 ZINC000010472586 556335898 /nfs/dbraw/zinc/33/58/98/556335898.db2.gz NFVODSZNKHSRCY-UHFFFAOYSA-N 0 0 449.345 3.795 40 0 IHABRN COc1ccc(-c2cc3nc([C@@H](C)NC(=O)COc4c(C)cccc4C)nn3cn2)cc1 ZINC000012085130 556398913 /nfs/dbraw/zinc/39/89/13/556398913.db2.gz IBYPSDFPODLMML-QGZVFWFLSA-N 0 0 431.496 3.673 40 0 IHABRN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC([C@H]3CC(=O)c4cc(C)ccc4O3)CC2)[nH]n1 ZINC000012087397 556400599 /nfs/dbraw/zinc/40/05/99/556400599.db2.gz DPJSJUYSNHICOI-HSZRJFAPSA-N 0 0 447.539 3.622 40 0 IHABRN Cn1cc(-c2cc(C(=O)N3CCC[C@@H]([C@H]4CC(=O)c5cc(Cl)ccc5O4)C3)no2)cn1 ZINC000013265501 556501415 /nfs/dbraw/zinc/50/14/15/556501415.db2.gz GGBHGEWYJBMQQO-ZUOKHONESA-N 0 0 440.887 3.615 40 0 IHABRN CCn1nc(C)c2c1nc(C)cc2C(=O)N1CCN(c2cc(C)c3ccccc3n2)CC1 ZINC000036612073 556506096 /nfs/dbraw/zinc/50/60/96/556506096.db2.gz ILAQCNNYEYPUPS-UHFFFAOYSA-N 0 0 428.540 3.887 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030809865 556506517 /nfs/dbraw/zinc/50/65/17/556506517.db2.gz XWASPVSJOATVDL-UHFFFAOYSA-N 0 0 441.380 3.768 40 0 IHABRN CC(C)Oc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000030940454 556516208 /nfs/dbraw/zinc/51/62/08/556516208.db2.gz KYEMQDTVHPEWSI-OAQYLSRUSA-N 0 0 446.569 3.937 40 0 IHABRN Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616825 556516415 /nfs/dbraw/zinc/51/64/15/556516415.db2.gz BMWXZUHGZYEKFT-UHFFFAOYSA-N 0 0 447.489 3.965 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000015435116 556527486 /nfs/dbraw/zinc/52/74/86/556527486.db2.gz GYBCPUPJTOBVBO-UHFFFAOYSA-N 0 0 429.325 3.575 40 0 IHABRN CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581197 556527727 /nfs/dbraw/zinc/52/77/27/556527727.db2.gz USHRKQMSJMIMOG-UHFFFAOYSA-N 0 0 435.304 3.790 40 0 IHABRN Cc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)c1O ZINC000032101291 556529427 /nfs/dbraw/zinc/52/94/27/556529427.db2.gz MLXONDQOPKMJKA-KRWDZBQOSA-N 0 0 443.219 3.964 40 0 IHABRN O=C(NCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015555054 556534770 /nfs/dbraw/zinc/53/47/70/556534770.db2.gz IAMFGPCWJGIUSP-UHFFFAOYSA-N 0 0 436.961 3.714 40 0 IHABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1OC ZINC000032126563 556535493 /nfs/dbraw/zinc/53/54/93/556535493.db2.gz WUKXDTPIFXZNKN-UHFFFAOYSA-N 0 0 425.466 3.676 40 0 IHABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)C=Cc4ccccc4)c3)nn12 ZINC000032126858 556535732 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40 0 IHABRN COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1Cl ZINC000013673950 556553534 /nfs/dbraw/zinc/55/35/34/556553534.db2.gz ZKDPCMGISSULOL-INIZCTEOSA-N 0 0 438.977 3.561 40 0 IHABRN CCc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013677199 556555110 /nfs/dbraw/zinc/55/51/10/556555110.db2.gz TVWJDKBFDDYYTD-HSZRJFAPSA-N 0 0 436.533 3.985 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000016188011 556587905 /nfs/dbraw/zinc/58/79/05/556587905.db2.gz PEZXLCNKPWUVLJ-UHFFFAOYSA-N 0 0 437.732 3.915 40 0 IHABRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccccc1Br ZINC000100784968 556589509 /nfs/dbraw/zinc/58/95/09/556589509.db2.gz QJCURQTXLXBLPY-SQNIBIBYSA-N 0 0 446.732 3.638 40 0 IHABRN COc1ccccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)cc1 ZINC000016309728 556599083 /nfs/dbraw/zinc/59/90/83/556599083.db2.gz UTNNJKYCHLPCHX-NLWGTHIKSA-N 0 0 428.554 3.504 40 0 IHABRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1 ZINC000016400868 556605836 /nfs/dbraw/zinc/60/58/36/556605836.db2.gz BICNXHOYSVRIRZ-UHFFFAOYSA-N 0 0 427.423 3.808 40 0 IHABRN S=C(NNC(=S)Nc1ccccc1Cl)NNC(=S)Nc1ccccc1Cl ZINC000016450442 556609493 /nfs/dbraw/zinc/60/94/93/556609493.db2.gz UXYSNJZKGKTGCX-UHFFFAOYSA-N 0 0 445.426 3.561 40 0 IHABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc(C(=O)OC)c1 ZINC000038773068 556619762 /nfs/dbraw/zinc/61/97/62/556619762.db2.gz MCEQMXRMUNQLRU-UHFFFAOYSA-N 0 0 441.461 3.853 40 0 IHABRN CCOc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000038834382 556622492 /nfs/dbraw/zinc/62/24/92/556622492.db2.gz MXSYPXACFKGWEE-HXUWFJFHSA-N 0 0 432.542 3.549 40 0 IHABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(Cl)cc21 ZINC000038834740 556622806 /nfs/dbraw/zinc/62/28/06/556622806.db2.gz DJRSNOYLIZYZBC-HNNXBMFYSA-N 0 0 434.823 3.525 40 0 IHABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3)cc2Cl)CC1 ZINC000016681572 556624132 /nfs/dbraw/zinc/62/41/32/556624132.db2.gz GASCXLZTMMLDEC-UHFFFAOYSA-N 0 0 432.977 3.617 40 0 IHABRN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)C4CCCCC4)C[C@H]2N(C)C3=O)c1 ZINC000514289344 556625746 /nfs/dbraw/zinc/62/57/46/556625746.db2.gz ISAZHTWGNSGJLD-VWNXMTODSA-N 0 0 434.536 3.986 40 0 biogenic,in-vitro IHABRN C[C@@]1(O)CCN(C(=O)NCc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289998 556625766 /nfs/dbraw/zinc/62/57/66/556625766.db2.gz SXPLYBIKUAYZRJ-WRALFONMSA-N 0 0 449.576 3.954 40 0 biogenic,in-vitro IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C)cc1Cl ZINC000016692682 556627916 /nfs/dbraw/zinc/62/79/16/556627916.db2.gz NSSOSCXEFIJUNA-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN COCc1nn2c(nnc(C(=O)Nc3cc(OC)ccc3OC)c2C)c1-c1ccccc1 ZINC000039963888 556630642 /nfs/dbraw/zinc/63/06/42/556630642.db2.gz ROWDSWSWGIHLHF-UHFFFAOYSA-N 0 0 433.468 3.516 40 0 IHABRN CCN(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985180 556631620 /nfs/dbraw/zinc/63/16/20/556631620.db2.gz CQXZDWIIZHECPH-UHFFFAOYSA-N 0 0 425.348 3.715 40 0 IHABRN CCN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000039985924 556632463 /nfs/dbraw/zinc/63/24/63/556632463.db2.gz IIPKIFWXOHKNKP-UHFFFAOYSA-N 0 0 426.513 3.742 40 0 IHABRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cc(F)ccc1OC ZINC000039986331 556632990 /nfs/dbraw/zinc/63/29/90/556632990.db2.gz YJBXJYNRVXQNSS-UHFFFAOYSA-N 0 0 434.411 3.502 40 0 IHABRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000100990996 556633630 /nfs/dbraw/zinc/63/36/30/556633630.db2.gz KGEQGIAXPBGPBH-FSSWDIPSSA-N 0 0 434.423 3.591 40 0 IHABRN COCc1nn2c(nnc3c2ccn(CCc2ccc(OC)cc2)c3=O)c1-c1ccccc1 ZINC000040391153 556637977 /nfs/dbraw/zinc/63/79/77/556637977.db2.gz ORMPMLUTQINAMA-UHFFFAOYSA-N 0 0 441.491 3.504 40 0 IHABRN Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(F)cc4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396050 556638663 /nfs/dbraw/zinc/63/86/63/556638663.db2.gz XWWCJMJEQVPMSB-UHFFFAOYSA-N 0 0 448.845 3.591 40 0 IHABRN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 ZINC000040399627 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/nfs/dbraw/zinc/82/58/31/556825831.db2.gz FIIDKGXTHKFKHY-MHZLTWQESA-N 0 0 427.548 3.889 40 0 IHABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000019591180 556825954 /nfs/dbraw/zinc/82/59/54/556825954.db2.gz CEFZCHBMQYBIPB-XMMPIXPASA-N 0 0 434.565 3.603 40 0 IHABRN CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000019591181 556825987 /nfs/dbraw/zinc/82/59/87/556825987.db2.gz CEFZCHBMQYBIPB-DEOSSOPVSA-N 0 0 434.565 3.603 40 0 IHABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cncc(N)c2)C1 ZINC000019591168 556825996 /nfs/dbraw/zinc/82/59/96/556825996.db2.gz NHWDOYORDTZOEC-XMMPIXPASA-N 0 0 434.565 3.603 40 0 IHABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccccc2OC)C1 ZINC000019591205 556826144 /nfs/dbraw/zinc/82/61/44/556826144.db2.gz QXHRFOSKVJTCBO-MHZLTWQESA-N 0 0 443.547 3.968 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCc2ccccc2)C1 ZINC000019591448 556826636 /nfs/dbraw/zinc/82/66/36/556826636.db2.gz IMFUTSQBRFLDLJ-HHHXNRCGSA-N 0 0 427.548 3.889 40 0 IHABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000019591495 556826958 /nfs/dbraw/zinc/82/69/58/556826958.db2.gz OIABSRJWXGQSNR-MHZLTWQESA-N 0 0 443.547 3.507 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC000019591480 556826964 /nfs/dbraw/zinc/82/69/64/556826964.db2.gz SHQDOQKKKZQWJH-HHHXNRCGSA-N 0 0 443.547 3.507 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccc2OC)C1 ZINC000019591606 556827442 /nfs/dbraw/zinc/82/74/42/556827442.db2.gz YOUICHCQIREPFR-AREMUKBSSA-N 0 0 429.520 3.578 40 0 IHABRN CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC2CCCCC2)CCO1 ZINC000019591811 556827552 /nfs/dbraw/zinc/82/75/52/556827552.db2.gz PNGIUDOFOHNLRC-SANMLTNESA-N 0 0 435.568 3.605 40 0 IHABRN CNc1cc([C@@H]2CCCN(C(=O)Cc3cc(OC)ccc3OC)C2)nc(-c2cccnc2)n1 ZINC000019592163 556828122 /nfs/dbraw/zinc/82/81/22/556828122.db2.gz PGJMGDIPEVDQCS-GOSISDBHSA-N 0 0 447.539 3.546 40 0 IHABRN CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)nc2)nc(C2CC2)n1 ZINC000019592116 556828141 /nfs/dbraw/zinc/82/81/41/556828141.db2.gz UWNQDISOMUWYCA-FQEVSTJZSA-N 0 0 442.523 3.994 40 0 IHABRN COCCn1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@]3(C2)CCCC(=O)N3)c2ccccc21 ZINC000019594201 556829941 /nfs/dbraw/zinc/82/99/41/556829941.db2.gz HPRCEFAQEPRDQH-BKMJKUGQSA-N 0 0 449.526 3.705 40 0 IHABRN Cc1cc(C)c(S(=O)(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 ZINC000006321763 556833129 /nfs/dbraw/zinc/83/31/29/556833129.db2.gz PAVDEFJFSZITLQ-UHFFFAOYSA-N 0 0 442.581 3.644 40 0 IHABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000006409625 556834742 /nfs/dbraw/zinc/83/47/42/556834742.db2.gz JYLSQZZOVDNPJU-JOCHJYFZSA-N 0 0 435.593 3.935 40 0 IHABRN Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006410085 556835040 /nfs/dbraw/zinc/83/50/40/556835040.db2.gz BBHSVBQULDBONY-HSZRJFAPSA-N 0 0 446.530 3.832 40 0 IHABRN Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006410125 556835081 /nfs/dbraw/zinc/83/50/81/556835081.db2.gz MBKRWMDBOTTZSD-FDDCHVKYSA-N 0 0 428.540 3.693 40 0 IHABRN CC(C)CCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000006551826 556837189 /nfs/dbraw/zinc/83/71/89/556837189.db2.gz OZIXDHYJCJXQRC-JOCHJYFZSA-N 0 0 443.544 3.667 40 0 IHABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000006878366 556840021 /nfs/dbraw/zinc/84/00/21/556840021.db2.gz HLDOCWGTJPDNKT-UHFFFAOYSA-N 0 0 444.586 3.737 40 0 IHABRN COCCN(C(=O)COc1ccccc1)c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000006904814 556840396 /nfs/dbraw/zinc/84/03/96/556840396.db2.gz QHFNJFVBMQDSGT-UHFFFAOYSA-N 0 0 428.510 3.886 40 0 IHABRN Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](c2ccc(-c3cnc(N)nc3)cn2)C1 ZINC000019689201 556843725 /nfs/dbraw/zinc/84/37/25/556843725.db2.gz CRTSOVDFBNYTSW-FQEVSTJZSA-N 0 0 426.524 3.790 40 0 IHABRN Nc1ccc(-c2ccc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)CCCO5)C3)nc2)cn1 ZINC000019689313 556844000 /nfs/dbraw/zinc/84/40/00/556844000.db2.gz HPEMDMCEHAAWBE-QFIPXVFZSA-N 0 0 428.536 4.000 40 0 IHABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 ZINC000019689245 556844055 /nfs/dbraw/zinc/84/40/55/556844055.db2.gz OBQNDUJYVZZNKC-FQEVSTJZSA-N 0 0 426.524 3.631 40 0 IHABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(C)CC3)cc2c1 ZINC000008674173 556844088 /nfs/dbraw/zinc/84/40/88/556844088.db2.gz BPTGALQBEHFOTB-UGKGYDQZSA-N 0 0 436.560 3.544 40 0 IHABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 ZINC000008686570 556844775 /nfs/dbraw/zinc/84/47/75/556844775.db2.gz GXLMGPHTQCRKRT-FQEVSTJZSA-N 0 0 425.554 3.794 40 0 IHABRN CCc1nccn1CC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019690118 556845461 /nfs/dbraw/zinc/84/54/61/556845461.db2.gz GQQZJMGPZJMURA-IBGZPJMESA-N 0 0 438.963 3.986 40 0 IHABRN Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)CN3CCOCC3)CC2)n1 ZINC000019691666 556847080 /nfs/dbraw/zinc/84/70/80/556847080.db2.gz NZQLSCFIHUBFSS-UHFFFAOYSA-N 0 0 427.976 3.672 40 0 IHABRN Cc1cc(-c2ccc(N)nc2)cc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000019692167 556848510 /nfs/dbraw/zinc/84/85/10/556848510.db2.gz JDCALYZGEVILHG-UHFFFAOYSA-N 0 0 426.517 3.742 40 0 IHABRN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2snnc2C)cc1 ZINC000019694287 556849877 /nfs/dbraw/zinc/84/98/77/556849877.db2.gz YBYKUBVJHWQGGT-SFHVURJKSA-N 0 0 438.557 3.746 40 0 IHABRN CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1 ZINC000019694292 556849903 /nfs/dbraw/zinc/84/99/03/556849903.db2.gz GZDZRFFMPOITEI-HXUWFJFHSA-N 0 0 434.519 3.928 40 0 IHABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 ZINC000019694260 556849945 /nfs/dbraw/zinc/84/99/45/556849945.db2.gz NMVQVXAOIHHHSJ-KRWDZBQOSA-N 0 0 436.947 3.860 40 0 IHABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2CC(=O)NCc2ccccn2)n1 ZINC000019694329 556850155 /nfs/dbraw/zinc/85/01/55/556850155.db2.gz QPXRKWREDVUTGY-QFIPXVFZSA-N 0 0 448.546 3.587 40 0 IHABRN CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000019694503 556850567 /nfs/dbraw/zinc/85/05/67/556850567.db2.gz HWFKQWAMERDZDV-QGZVFWFLSA-N 0 0 440.544 3.917 40 0 IHABRN COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000019694848 556851144 /nfs/dbraw/zinc/85/11/44/556851144.db2.gz PQNQNVUNIRIHTH-LJQANCHMSA-N 0 0 447.539 3.989 40 0 IHABRN Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)CCC(=O)Nc2ccccn2)c1 ZINC000008994733 556853559 /nfs/dbraw/zinc/85/35/59/556853559.db2.gz XYOWIZKFMVXORJ-UHFFFAOYSA-N 0 0 448.498 3.597 40 0 IHABRN COCc1ccc(C(=O)N2CCO[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)cc1 ZINC000019697784 556855499 /nfs/dbraw/zinc/85/54/99/556855499.db2.gz NWZXTLXGDUPUPH-IBGZPJMESA-N 0 0 438.549 3.963 40 0 IHABRN Cc1nc(CN(C)C(=O)CCc2ccc(F)cc2)nc2c1CCC(=O)N2CCC(C)C ZINC000019698071 556856016 /nfs/dbraw/zinc/85/60/16/556856016.db2.gz USTFENONUPUCKV-UHFFFAOYSA-N 0 0 426.536 3.841 40 0 IHABRN Cc1nc2ccccn2c1CN(C)Cc1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019698585 556857103 /nfs/dbraw/zinc/85/71/03/556857103.db2.gz MDXCREXHTJOMSX-UHFFFAOYSA-N 0 0 440.551 3.853 40 0 IHABRN COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4ccccc4)nc32)c1 ZINC000019698681 556857533 /nfs/dbraw/zinc/85/75/33/556857533.db2.gz ANTWXNWMJVDIRA-UHFFFAOYSA-N 0 0 430.508 3.545 40 0 IHABRN CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2snnc2C)CC1 ZINC000019700182 556859900 /nfs/dbraw/zinc/85/99/00/556859900.db2.gz IWUQQZFQTLSXIG-UHFFFAOYSA-N 0 0 449.580 3.510 40 0 IHABRN Cc1nnsc1C(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 ZINC000019705630 556862591 /nfs/dbraw/zinc/86/25/91/556862591.db2.gz MNBBIFPRXLVWGJ-HNNXBMFYSA-N 0 0 425.489 3.653 40 0 IHABRN COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCCN(Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019706585 556864932 /nfs/dbraw/zinc/86/49/32/556864932.db2.gz XTHQOGQMXKPLND-HXUWFJFHSA-N 0 0 432.572 3.849 40 0 IHABRN Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019739513 556878396 /nfs/dbraw/zinc/87/83/96/556878396.db2.gz UWWREPWNBIMIMJ-OAQYLSRUSA-N 0 0 440.588 3.530 40 0 IHABRN Cc1nc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)nc2c1CC(=O)N2CC1CC1 ZINC000019739671 556878651 /nfs/dbraw/zinc/87/86/51/556878651.db2.gz SHZQPICIXCQJOL-QFIPXVFZSA-N 0 0 443.551 3.862 40 0 IHABRN COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)c1 ZINC000019740458 556880543 /nfs/dbraw/zinc/88/05/43/556880543.db2.gz LPLKLICDLVOZBH-OAQYLSRUSA-N 0 0 434.540 3.850 40 0 IHABRN CCCN1C(=O)CCc2c(C)nc([C@@H]3CCCCN3C(=O)CC3(O)CCCCC3)nc21 ZINC000019741185 556882892 /nfs/dbraw/zinc/88/28/92/556882892.db2.gz NHFPKONNYQSBMO-IBGZPJMESA-N 0 0 428.577 3.613 40 0 IHABRN Cc1nc([C@@H]2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741993 556885478 /nfs/dbraw/zinc/88/54/78/556885478.db2.gz UYCOFHRRBLEDRA-FQEVSTJZSA-N 0 0 428.577 3.733 40 0 IHABRN COC(C)(C)C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 ZINC000019741967 556885541 /nfs/dbraw/zinc/88/55/41/556885541.db2.gz LXZPHYVNWXBYBZ-LJQANCHMSA-N 0 0 428.577 3.733 40 0 IHABRN 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556897013 /nfs/dbraw/zinc/89/70/13/556897013.db2.gz YWAXJNVOIQCTQJ-NRFANRHFSA-N 0 0 433.487 3.952 40 0 IHABRN COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2cccnc2)nc1C ZINC000019753404 556897103 /nfs/dbraw/zinc/89/71/03/556897103.db2.gz RPYVTIXSIOMFJK-HXUWFJFHSA-N 0 0 431.496 3.808 40 0 IHABRN CC[C@@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000408942569 556897564 /nfs/dbraw/zinc/89/75/64/556897564.db2.gz ZJCGLRJGIDPRMN-OAHLLOKOSA-N 0 0 439.375 3.555 40 0 IHABRN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccc(F)cc3)c2)ncc1C(N)=O ZINC000019755197 556898338 /nfs/dbraw/zinc/89/83/38/556898338.db2.gz OKNKYZPSJDHLRI-NRFANRHFSA-N 0 0 434.471 3.579 40 0 IHABRN CCN1C(=O)S/C(=C\c2cc(Br)c(I)o2)C1=O ZINC000408956030 556899099 /nfs/dbraw/zinc/89/90/99/556899099.db2.gz ZPFBMJIUJAMHGL-DAXSKMNVSA-N 0 0 428.045 3.703 40 0 IHABRN Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)c3cccc4ncccc43)CC2)n1 ZINC000019756770 556900687 /nfs/dbraw/zinc/90/06/87/556900687.db2.gz CYZWVHYTQLAUBM-UHFFFAOYSA-N 0 0 443.551 3.664 40 0 IHABRN COc1cccc(CNc2cc(CC3CCN(C(=O)C[C@H]4CCCO4)CC3)nc(C)n2)c1 ZINC000019758709 556902448 /nfs/dbraw/zinc/90/24/48/556902448.db2.gz PXGLOYNEWARWCM-HSZRJFAPSA-N 0 0 438.572 3.756 40 0 IHABRN Cc1cnc(C(=O)N2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327341 556904252 /nfs/dbraw/zinc/90/42/52/556904252.db2.gz LGWWANVWVOASJL-XMMPIXPASA-N 0 0 449.942 3.945 40 0 IHABRN Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCC(C)CC3)CC1)O2 ZINC000072328064 556905225 /nfs/dbraw/zinc/90/52/25/556905225.db2.gz WZSFLVCHJWDJJY-DOYCXRAKSA-N 0 0 426.557 3.795 40 0 IHABRN CC(C)NC(=O)c1cc([C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)nc2ccccc21 ZINC000019762232 556906528 /nfs/dbraw/zinc/90/65/28/556906528.db2.gz INPOLMXCYGQPQP-QFIPXVFZSA-N 0 0 435.572 3.967 40 0 IHABRN Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019762642 556907165 /nfs/dbraw/zinc/90/71/65/556907165.db2.gz NGVDIEMWUICGRZ-SFHVURJKSA-N 0 0 433.556 3.519 40 0 IHABRN O=C(c1ccc(Br)s1)N1CCC2(C[C@@](O)(c3ccc(F)cc3)CO2)CC1 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432.499 3.588 40 0 IHABRN C[C@@H](CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000024034394 557132614 /nfs/dbraw/zinc/13/26/14/557132614.db2.gz BTFLDGMPILOLFC-SFHVURJKSA-N 0 0 426.513 3.941 40 0 IHABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)c1C ZINC000302767585 557143074 /nfs/dbraw/zinc/14/30/74/557143074.db2.gz MXYJYMZFIYODRT-SFHVURJKSA-N 0 0 431.492 3.818 40 0 IHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCC[C@H](C)C3)cc2c1 ZINC000006149496 557146355 /nfs/dbraw/zinc/14/63/55/557146355.db2.gz URTITZWENUOLET-KKSFZXQISA-N 0 0 438.576 3.880 40 0 IHABRN CCCCNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006149811 557146731 /nfs/dbraw/zinc/14/67/31/557146731.db2.gz SOXQNYMPQHZYGD-UHFFFAOYSA-N 0 0 437.565 3.976 40 0 IHABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC ZINC000216478255 557147540 /nfs/dbraw/zinc/14/75/40/557147540.db2.gz OFSTYOLGRSIMKV-FQEVSTJZSA-N 0 0 446.569 3.893 40 0 IHABRN 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CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 ZINC000008904320 557179828 /nfs/dbraw/zinc/17/98/28/557179828.db2.gz LSZHWDVBBGCKNG-UHFFFAOYSA-N 0 0 429.523 3.999 40 0 IHABRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccccc1Cl ZINC000009011509 557180023 /nfs/dbraw/zinc/18/00/23/557180023.db2.gz YXTGMDZJTURSDL-UHFFFAOYSA-N 0 0 438.823 3.525 40 0 IHABRN Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@H]2[C@H]1CC=CCC1 ZINC000009265067 557182846 /nfs/dbraw/zinc/18/28/46/557182846.db2.gz MJMOEVWXINZNSO-LAUBAEHRSA-N 0 0 438.963 3.664 40 0 IHABRN Cc1ccc(C)c(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)N(C)C)c1 ZINC000009694864 557192536 /nfs/dbraw/zinc/19/25/36/557192536.db2.gz ZVNICMMVIGUKEV-UHFFFAOYSA-N 0 0 430.357 3.862 40 0 IHABRN O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1cccs1)Nc1cccc(Cl)c1 ZINC000009926946 557194140 /nfs/dbraw/zinc/19/41/40/557194140.db2.gz KKQXCZFVLVJHQI-YESZJQIVSA-N 0 0 431.945 3.682 40 0 IHABRN CCOc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC ZINC000009973020 557194826 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ZINC000222548442 557349924 /nfs/dbraw/zinc/34/99/24/557349924.db2.gz RBRNQWJRXLGSBR-UHFFFAOYSA-N 0 0 438.549 3.937 40 0 IHABRN O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N(CCO)Cc2ccccc2)cc1)OCO3 ZINC000013563111 557353180 /nfs/dbraw/zinc/35/31/80/557353180.db2.gz OIKQKSIOQRJNNS-UHFFFAOYSA-N 0 0 443.503 3.868 40 0 IHABRN Cc1cc(C)cc(N(CCCC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 ZINC000222566875 557353661 /nfs/dbraw/zinc/35/36/61/557353661.db2.gz XMZMTMDHLWGGQV-UHFFFAOYSA-N 0 0 434.627 3.899 40 0 IHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000222567997 557353702 /nfs/dbraw/zinc/35/37/02/557353702.db2.gz LLMPYDOWATVVBI-QGZVFWFLSA-N 0 0 443.569 3.706 40 0 IHABRN COc1ccccc1CCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222572778 557354179 /nfs/dbraw/zinc/35/41/79/557354179.db2.gz LKCPXDVZTGJXCU-UHFFFAOYSA-N 0 0 432.586 3.607 40 0 IHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)cc1 ZINC000222588864 557357094 /nfs/dbraw/zinc/35/70/94/557357094.db2.gz ZGYOORKJGMTDGR-DEOSSOPVSA-N 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/nfs/dbraw/zinc/38/22/28/557382228.db2.gz BJTKWAXGPSNRSO-UHFFFAOYSA-N 0 0 432.586 3.953 40 0 IHABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)cc12 ZINC000013658207 557382370 /nfs/dbraw/zinc/38/23/70/557382370.db2.gz HSIFOOBFEWXMTK-LJQANCHMSA-N 0 0 425.554 3.794 40 0 IHABRN COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccccc1 ZINC000013640771 557385283 /nfs/dbraw/zinc/38/52/83/557385283.db2.gz IYZMRQHMXFDXQB-KGENOOAVSA-N 0 0 428.469 3.685 40 0 IHABRN O=C(CCc1cccc(Cl)c1)N1CCNC(=O)[C@H]1Cc1ccccc1-c1cccnc1 ZINC000072351537 557385974 /nfs/dbraw/zinc/38/59/74/557385974.db2.gz OSYHYNUFWQMLNN-HSZRJFAPSA-N 0 0 433.939 3.904 40 0 IHABRN COCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)cc1 ZINC000072351796 557386822 /nfs/dbraw/zinc/38/68/22/557386822.db2.gz OARNGKAHVZYRAQ-RUZDIDTESA-N 0 0 444.531 3.562 40 0 IHABRN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CCc2ccccc2)cc1 ZINC000072376914 557389043 /nfs/dbraw/zinc/38/90/43/557389043.db2.gz ISNWRDPLCBLGAI-NRFANRHFSA-N 0 0 429.524 3.511 40 0 IHABRN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072376932 557389091 /nfs/dbraw/zinc/38/90/91/557389091.db2.gz HXVJEBWWRPJECS-LJQANCHMSA-N 0 0 430.480 3.920 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1ccc(Br)cc1 ZINC000222838281 557392103 /nfs/dbraw/zinc/39/21/03/557392103.db2.gz ZLTHVUWEWDAQRL-UHFFFAOYSA-N 0 0 447.354 3.685 40 0 IHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000222876749 557396978 /nfs/dbraw/zinc/39/69/78/557396978.db2.gz HCAXRLKTBAFUEV-RUZDIDTESA-N 0 0 430.548 3.932 40 0 IHABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCCC(C)C)cc1OC ZINC000222886565 557398278 /nfs/dbraw/zinc/39/82/78/557398278.db2.gz IZUBXLIRNMIAFD-GOSISDBHSA-N 0 0 444.547 3.965 40 0 IHABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCC(N)=O)cc1)S[C@H](C)C(=O)N2 ZINC000013995326 557401665 /nfs/dbraw/zinc/40/16/65/557401665.db2.gz SFKAYYBHHWYTNG-VFNWGFHPSA-N 0 0 436.537 3.516 40 0 IHABRN CCc1nnc(NC(=O)CSc2nnc(-c3cc4cccc(OC)c4o3)n2CC)s1 ZINC000013999718 557403281 /nfs/dbraw/zinc/40/32/81/557403281.db2.gz DOMACGBXTCKXRY-UHFFFAOYSA-N 0 0 444.542 3.865 40 0 IHABRN C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222925184 557403923 /nfs/dbraw/zinc/40/39/23/557403923.db2.gz YPNJRBPJPWKCNJ-IERDGZPVSA-N 0 0 432.923 3.734 40 0 IHABRN CC(=O)O[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@@H]3CC4(CC(=O)[C@]3(C)[C@@H]12)OCCO4 ZINC000118917249 557406013 /nfs/dbraw/zinc/40/60/13/557406013.db2.gz RUQBPCMPFRJFIH-YRSLNNHCSA-N 0 0 432.557 3.698 40 0 IHABRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)[NH2+][C@H](C(=O)[O-])CS5 ZINC000118936371 557407915 /nfs/dbraw/zinc/40/79/15/557407915.db2.gz PCUNKKKWXLSSHX-OFDFYJNSSA-N 0 0 433.614 3.899 40 0 IHABRN C[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223003834 557414483 /nfs/dbraw/zinc/41/44/83/557414483.db2.gz OANVRXSOQBZWGW-INIZCTEOSA-N 0 0 434.989 3.858 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000223017410 557416109 /nfs/dbraw/zinc/41/61/09/557416109.db2.gz ZIPNQYYWCULGOF-KRWDZBQOSA-N 0 0 447.373 3.998 40 0 IHABRN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc1 ZINC000014000907 557417598 /nfs/dbraw/zinc/41/75/98/557417598.db2.gz FAGKTHIYBQYPLC-INIZCTEOSA-N 0 0 426.270 3.896 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1 ZINC000223030491 557417758 /nfs/dbraw/zinc/41/77/58/557417758.db2.gz RCZHOWVUVITHJO-INIZCTEOSA-N 0 0 433.346 3.690 40 0 IHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(F)cc1 ZINC000223030975 557418120 /nfs/dbraw/zinc/41/81/20/557418120.db2.gz ZLAOEJLCGVMKEX-CQSZACIVSA-N 0 0 437.309 3.520 40 0 IHABRN Cc1ccc(Cn2c3nn(Cc4cccc(Cl)c4)c(=O)n3c3ccccc3c2=O)cc1 ZINC000064860701 557418603 /nfs/dbraw/zinc/41/86/03/557418603.db2.gz XJFULFYJDHITOP-UHFFFAOYSA-N 0 0 430.895 3.869 40 0 IHABRN COc1cccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223055794 557422753 /nfs/dbraw/zinc/42/27/53/557422753.db2.gz WKFOFRSRHSOSTP-KRWDZBQOSA-N 0 0 440.540 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JINJTDSVLIOLMF-DHIUTWEWSA-N 0 0 448.542 3.827 40 0 IHABRN CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000096519960 569401018 /nfs/dbraw/zinc/40/10/18/569401018.db2.gz IVOTWODWVCBROL-LSDHHAIUSA-N 0 0 436.698 3.759 40 0 IHABRN CCc1ccc(OC)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1 ZINC000225793767 569408877 /nfs/dbraw/zinc/40/88/77/569408877.db2.gz PTJDUBUTNJFZBO-UHFFFAOYSA-N 0 0 425.432 3.777 40 0 IHABRN Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc(Cl)c1 ZINC000003472162 569452083 /nfs/dbraw/zinc/45/20/83/569452083.db2.gz AQSGKZQOAIAHMO-UHFFFAOYSA-N 0 0 438.738 3.806 40 0 IHABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329043154 569583417 /nfs/dbraw/zinc/58/34/17/569583417.db2.gz SRYOFCRPPXZUAK-SFHVURJKSA-N 0 0 428.334 4.474 40 0 IHABRN COC(=O)c1ccc(OC)c(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)c1 ZINC000328977302 569583669 /nfs/dbraw/zinc/58/36/69/569583669.db2.gz FTANZTJNGYEBEI-HXUWFJFHSA-N 0 0 436.512 4.111 40 0 IHABRN Cc1cccnc1Nc1cncc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 ZINC000585169381 569584546 /nfs/dbraw/zinc/58/45/46/569584546.db2.gz ZZPMNBIOXSZDOC-SFHVURJKSA-N 0 0 435.503 4.238 40 0 IHABRN CC(C)(C)CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1 ZINC000067896501 291364873 /nfs/dbraw/zinc/36/48/73/291364873.db2.gz FWXQZQOYGPQFJV-NFBKMPQASA-N 0 0 428.504 3.661 40 0 biogenic,in-vitro IHABRN CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 ZINC000253401419 291365914 /nfs/dbraw/zinc/36/59/14/291365914.db2.gz MVZWXCDQYUCKIO-FQEVSTJZSA-N 0 0 429.923 3.540 40 0 biogenic,in-vitro IHABRN COc1cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000013660263 291369582 /nfs/dbraw/zinc/36/95/82/291369582.db2.gz HRLFUIXSXUASEX-WWLNLUSPSA-N 0 0 446.496 3.813 40 0 biogenic,in-vitro IHABRN COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000090525841 291369949 /nfs/dbraw/zinc/36/99/49/291369949.db2.gz HRLFUIXSXUASEX-WGKKAQPQSA-N 0 0 446.496 3.813 40 0 biogenic,in-vitro IHABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000253397806 291370511 /nfs/dbraw/zinc/37/05/11/291370511.db2.gz FZOMFRNTXDRONS-AWEZNQCLSA-N 0 0 438.480 3.619 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000067896396 291375365 /nfs/dbraw/zinc/37/53/65/291375365.db2.gz AMPOANQERRYEHB-ISKFKSNPSA-N 0 0 434.467 3.539 40 0 biogenic,in-vitro IHABRN O=C(CCc1nnc2s/c(=C\c3ccccc3)c(=O)n12)Nc1cc(Cl)ccc1Cl ZINC000000644834 193869195 /nfs/dbraw/zinc/86/91/95/193869195.db2.gz UACMQTLRFLWSIU-YBEGLDIGSA-N 0 0 445.331 3.577 40 0 IHABRN COCCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000006238936 193893177 /nfs/dbraw/zinc/89/31/77/193893177.db2.gz RGBMQUKEIPRKEQ-UHFFFAOYSA-N 0 0 443.544 3.589 40 0 IHABRN CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cccc(F)c4)CC3)c3ccccc32)CC1 ZINC000096242237 193941450 /nfs/dbraw/zinc/94/14/50/193941450.db2.gz LSNVYUJXOCCYFF-OAQYLSRUSA-N 0 0 449.570 3.651 40 0 IHABRN C[C@@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223233827 193955767 /nfs/dbraw/zinc/95/57/67/193955767.db2.gz WNWGQCUATKGTAP-CQSZACIVSA-N 0 0 440.487 3.838 40 0 IHABRN COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 ZINC000223239036 193956616 /nfs/dbraw/zinc/95/66/16/193956616.db2.gz IWGKGVADCBZLKB-KRWDZBQOSA-N 0 0 430.570 3.608 40 0 IHABRN O=C(NCc1nc(-c2cccs2)no1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223246946 193957304 /nfs/dbraw/zinc/95/73/04/193957304.db2.gz ZRBZCGPWRZMWDL-VBKFSLOCSA-N 0 0 436.518 3.947 40 0 IHABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NCCCO)c1ccccc1 ZINC000223355836 193970360 /nfs/dbraw/zinc/97/03/60/193970360.db2.gz MCFUPWUKULIWCN-AREMUKBSSA-N 0 0 430.548 3.888 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000408605650 193974482 /nfs/dbraw/zinc/97/44/82/193974482.db2.gz NFBOLLZGUWLSSV-JTQLQIEISA-N 0 0 435.304 3.837 40 0 IHABRN Cc1cc2ccccc2n2c(SCC(=O)Nc3ccccc3N3CCOCC3)nnc12 ZINC000001223224 132240300 /nfs/dbraw/zinc/24/03/00/132240300.db2.gz KMXLUFLMXWOWQI-UHFFFAOYSA-N 0 0 433.537 3.758 40 0 IHABRN CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(c2ccccc2OC)CC1 ZINC000013504179 132347734 /nfs/dbraw/zinc/34/77/34/132347734.db2.gz SEMJUBHNGHBCNW-QFIPXVFZSA-N 0 0 438.551 3.878 40 0 IHABRN Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000013504610 132348324 /nfs/dbraw/zinc/34/83/24/132348324.db2.gz NICSLJXNWDNRFR-XMMPIXPASA-N 0 0 428.515 3.772 40 0 IHABRN CCOC(=O)[C@H]1CCCN(c2ccc(NCc3cc4cc(OC)ccc4[nH]c3=O)cc2)C1 ZINC000013563102 132350107 /nfs/dbraw/zinc/35/01/07/132350107.db2.gz QFUTVYJCFSXXBZ-KRWDZBQOSA-N 0 0 435.524 3.928 40 0 IHABRN O=C(Nc1ccccc1F)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013677378 132353088 /nfs/dbraw/zinc/35/30/88/132353088.db2.gz QFPGQIWBQQWNNQ-NRFANRHFSA-N 0 0 426.469 3.562 40 0 IHABRN CC(=O)c1[nH]c(C)c(C(=O)N2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)c1C ZINC000072348309 518221502 /nfs/dbraw/zinc/22/15/02/518221502.db2.gz WYSITLCXIWEZEL-UHFFFAOYSA-N 0 0 438.915 3.893 40 0 IHABRN CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1cccnc1)C(=O)c1csnn1 ZINC000012874690 518747723 /nfs/dbraw/zinc/74/77/23/518747723.db2.gz MEGSFWJPCYLAND-SFHVURJKSA-N 0 0 443.960 3.885 40 0 IHABRN CC(C)(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3cccn3)cc2n1 ZINC000012230086 518997292 /nfs/dbraw/zinc/99/72/92/518997292.db2.gz CFOJEFSTZLAFDK-OAHLLOKOSA-N 0 0 434.466 3.996 40 0 IHABRN CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC2CCCC2)CC1 ZINC000012182223 519455444 /nfs/dbraw/zinc/45/54/44/519455444.db2.gz OOLKJHQOEPFUBA-NRFANRHFSA-N 0 0 425.573 3.893 40 0 IHABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3Br)oc2c1 ZINC000032127964 519735323 /nfs/dbraw/zinc/73/53/23/519735323.db2.gz CBBBISOVFLEBQQ-UHFFFAOYSA-N 0 0 433.287 3.676 40 0 IHABRN CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cc2ccccc2oc1=O ZINC000012182958 519796069 /nfs/dbraw/zinc/79/60/69/519796069.db2.gz AFZPWEIPHIHHSL-GOSISDBHSA-N 0 0 435.505 3.533 40 0 IHABRN CC(C)c1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O ZINC000022380519 519844272 /nfs/dbraw/zinc/84/42/72/519844272.db2.gz LBOFEVHASPFLSE-UHFFFAOYSA-N 0 0 425.348 3.977 40 0 IHABRN CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc(C)ccc2[nH]c1=O ZINC000035313563 519903595 /nfs/dbraw/zinc/90/35/95/519903595.db2.gz MHZLFEGXQOFIFZ-QFIPXVFZSA-N 0 0 437.565 3.696 40 0 IHABRN CCN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(C)ccc1OC ZINC000035086456 520359449 /nfs/dbraw/zinc/35/94/49/520359449.db2.gz CAVGJZVWLWNOMO-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O ZINC000022253687 521058334 /nfs/dbraw/zinc/05/83/34/521058334.db2.gz PXCFVDZJGNFUBA-INIZCTEOSA-N 0 0 434.558 3.588 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C ZINC000022536391 521184734 /nfs/dbraw/zinc/18/47/34/521184734.db2.gz VHOCSZFHDPCEJA-IBGZPJMESA-N 0 0 432.586 3.817 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C ZINC000022539465 521205474 /nfs/dbraw/zinc/20/54/74/521205474.db2.gz QTOQBTZJLBVIEU-RBUKOAKNSA-N 0 0 432.586 3.863 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1 ZINC000022271308 521206400 /nfs/dbraw/zinc/20/64/00/521206400.db2.gz FGETUMRCAWYBGG-QHCPKHFHSA-N 0 0 438.549 3.922 40 0 IHABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O ZINC000022251951 521481132 /nfs/dbraw/zinc/48/11/32/521481132.db2.gz WKOVAZJIKHMHHI-UHFFFAOYSA-N 0 0 426.922 3.704 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c(C)c1 ZINC000022395880 521494728 /nfs/dbraw/zinc/49/47/28/521494728.db2.gz VQBRJLCNQMPLIJ-UHFFFAOYSA-N 0 0 432.542 3.700 40 0 IHABRN CCOC(=O)c1ccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c(C)c1 ZINC000225824289 521516118 /nfs/dbraw/zinc/51/61/18/521516118.db2.gz SIWLCRHZLUAQIE-UHFFFAOYSA-N 0 0 426.498 3.717 40 0 IHABRN CCOc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)C1CCCC1 ZINC000012873622 521570355 /nfs/dbraw/zinc/57/03/55/521570355.db2.gz VVYSBVFIBDTWGV-IBGZPJMESA-N 0 0 430.574 3.978 40 0 IHABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1C ZINC000022252691 521659271 /nfs/dbraw/zinc/65/92/71/521659271.db2.gz VJABLQKSNHAQSG-UHFFFAOYSA-N 0 0 426.922 3.704 40 0 IHABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 ZINC000020456832 521961144 /nfs/dbraw/zinc/96/11/44/521961144.db2.gz OAUMHXJSKYCMSD-HNNXBMFYSA-N 0 0 437.949 3.589 40 0 IHABRN CN(C)c1ccc(NC(=O)CN2[C@@H]3CCC[C@H]2CC(NC(=O)C2CCCCC2)C3)cc1 ZINC000012643846 522224611 /nfs/dbraw/zinc/22/46/11/522224611.db2.gz CFUKWIHZYRSGOW-BRTIRZTQSA-N 0 0 426.605 3.773 40 0 IHABRN COC(=O)c1cccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)c1 ZINC000012494156 522225141 /nfs/dbraw/zinc/22/51/41/522225141.db2.gz AFATUSHZTLQYHW-NSHDSACASA-N 0 0 443.550 3.627 40 0 IHABRN COC(=O)c1cccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000225825973 522240447 /nfs/dbraw/zinc/24/04/47/522240447.db2.gz SGMQOIWDEBUHJN-UHFFFAOYSA-N 0 0 447.314 3.772 40 0 IHABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000020489296 522670142 /nfs/dbraw/zinc/67/01/42/522670142.db2.gz 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556551855 /nfs/dbraw/zinc/55/18/55/556551855.db2.gz IVHXUQFDXWPBOW-GOSISDBHSA-N 0 0 436.533 3.868 40 0 IHABRN CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000013675928 556554214 /nfs/dbraw/zinc/55/42/14/556554214.db2.gz ZKXGMPCOAGWCEV-IBGZPJMESA-N 0 0 432.586 3.606 40 0 IHABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013677740 556555157 /nfs/dbraw/zinc/55/51/57/556555157.db2.gz YLJFQXSSDQIJRZ-CRFBAAHOSA-N 0 0 445.412 3.840 40 0 IHABRN O=C(NCc1ccccc1)[C@H](c1ccccc1F)N(C[C@@H]1CCCO1)C(=O)c1ccccn1 ZINC000015935961 556566076 /nfs/dbraw/zinc/56/60/76/556566076.db2.gz OCUNOQAXCJBEFB-RDPSFJRHSA-N 0 0 447.510 3.900 40 0 IHABRN O=C1CC2(c3ccccc3-c3ccccc32)C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 ZINC000033744627 556567460 /nfs/dbraw/zinc/56/74/60/556567460.db2.gz CHNPABOQKWZLBN-UHFFFAOYSA-N 0 0 441.506 3.631 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)c1ccccc1OC ZINC000015967164 556569671 /nfs/dbraw/zinc/56/96/71/556569671.db2.gz RVLCCMBUFUOXTP-QGZVFWFLSA-N 0 0 446.569 3.760 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016188357 556588211 /nfs/dbraw/zinc/58/82/11/556588211.db2.gz CWFHGFCTGZKAKI-UHFFFAOYSA-N 0 0 436.839 3.627 40 0 IHABRN COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 ZINC000036271328 556596041 /nfs/dbraw/zinc/59/60/41/556596041.db2.gz PDDVMHMMYCAJPY-UHFFFAOYSA-N 0 0 438.549 3.801 40 0 IHABRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1F ZINC000016449285 556608913 /nfs/dbraw/zinc/60/89/13/556608913.db2.gz SVNDIIXBTSXPPI-UHFFFAOYSA-N 0 0 427.423 3.808 40 0 IHABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000038753973 556616735 /nfs/dbraw/zinc/61/67/35/556616735.db2.gz CORNUYJRGSCZJK-INIZCTEOSA-N 0 0 426.494 3.902 40 0 IHABRN COc1cccc(N(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000038754471 556617018 /nfs/dbraw/zinc/61/70/18/556617018.db2.gz UWUZVCCFLCGMLT-XMMPIXPASA-N 0 0 438.549 3.675 40 0 IHABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1N1CCCC1=O ZINC000038756135 556618129 /nfs/dbraw/zinc/61/81/29/556618129.db2.gz HDPWPRGQYTVXIJ-UHFFFAOYSA-N 0 0 443.294 3.524 40 0 IHABRN CCSc1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000038757126 556618690 /nfs/dbraw/zinc/61/86/90/556618690.db2.gz KIJAUVOZHJGDCW-UHFFFAOYSA-N 0 0 428.963 3.865 40 0 IHABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038849543 556624086 /nfs/dbraw/zinc/62/40/86/556624086.db2.gz LGLGMIBRJZFNIT-KRWDZBQOSA-N 0 0 429.325 3.858 40 0 IHABRN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)c4ccccc4F)C[C@H]2N(C)C3=O)c1 ZINC000514290350 556626582 /nfs/dbraw/zinc/62/65/82/556626582.db2.gz YEEPTTNVCSICPW-VWNXMTODSA-N 0 0 446.478 3.859 40 0 biogenic,in-vitro IHABRN CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985184 556631539 /nfs/dbraw/zinc/63/15/39/556631539.db2.gz DRGFAIUXNPJXBA-UHFFFAOYSA-N 0 0 431.739 3.752 40 0 IHABRN CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985896 556632435 /nfs/dbraw/zinc/63/24/35/556632435.db2.gz ARFVDQWEFYYJIY-UHFFFAOYSA-N 0 0 431.396 3.689 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)cc2F)cc1Cl ZINC000039986514 556633039 /nfs/dbraw/zinc/63/30/39/556633039.db2.gz JFTFPFZAGJQLEL-UHFFFAOYSA-N 0 0 432.876 3.666 40 0 IHABRN Nc1[nH]c(N2CCc3ccccc3C2)nc(=O)c1C(=S)Nc1ccc2ccccc2c1 ZINC000040385591 556635717 /nfs/dbraw/zinc/63/57/17/556635717.db2.gz TZTXVCCLRFKGHK-UHFFFAOYSA-N 0 0 427.533 3.856 40 0 IHABRN CCc1nn2c(nnc3c2ccn(CCc2ccccc2OC)c3=O)c1-c1ccccc1 ZINC000040388348 556636332 /nfs/dbraw/zinc/63/63/32/556636332.db2.gz RIHAUCCRXVZKJP-UHFFFAOYSA-N 0 0 425.492 3.920 40 0 IHABRN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399213 556641787 /nfs/dbraw/zinc/64/17/87/556641787.db2.gz NDVXODZMIWGPLQ-NSHDSACASA-N 0 0 444.278 3.885 40 0 IHABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000017098433 556663278 /nfs/dbraw/zinc/66/32/78/556663278.db2.gz WXUWKQMPWSWEND-UHFFFAOYSA-N 0 0 433.493 3.565 40 0 IHABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000044841316 556668292 /nfs/dbraw/zinc/66/82/92/556668292.db2.gz MYHMYPSLWQHDOH-HSZRJFAPSA-N 0 0 444.597 3.813 40 0 IHABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 ZINC000044840118 556668394 /nfs/dbraw/zinc/66/83/94/556668394.db2.gz ISZIMGCSCBBIIK-JOCHJYFZSA-N 0 0 446.569 3.567 40 0 IHABRN CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 ZINC000044880247 556674117 /nfs/dbraw/zinc/67/41/17/556674117.db2.gz HZKMAAMZCZEIAR-UHFFFAOYSA-N 0 0 446.569 3.589 40 0 IHABRN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000017304752 556675033 /nfs/dbraw/zinc/67/50/33/556675033.db2.gz REXXKDHEYIMURE-UHFFFAOYSA-N 0 0 428.441 3.650 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(Cl)c1 ZINC000044885125 556675318 /nfs/dbraw/zinc/67/53/18/556675318.db2.gz YMVWUHULPBLTGA-UHFFFAOYSA-N 0 0 438.933 3.538 40 0 IHABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)c1 ZINC000017357965 556676409 /nfs/dbraw/zinc/67/64/09/556676409.db2.gz GYBWWXLRIYVZFU-UHFFFAOYSA-N 0 0 449.576 3.754 40 0 IHABRN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000044899866 556676662 /nfs/dbraw/zinc/67/66/62/556676662.db2.gz ZNZGLZOLARZZBT-MRXNPFEDSA-N 0 0 432.973 3.860 40 0 IHABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044902745 556678550 /nfs/dbraw/zinc/67/85/50/556678550.db2.gz WSOSQRRZUGIREN-ZJSXRUAMSA-N 0 0 442.625 3.799 40 0 IHABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000044905955 556679831 /nfs/dbraw/zinc/67/98/31/556679831.db2.gz LVVSFIPKAZELRX-YWZLYKJASA-N 0 0 436.961 3.751 40 0 IHABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000018104844 556683932 /nfs/dbraw/zinc/68/39/32/556683932.db2.gz JMDZBMSRBOHJIQ-UHFFFAOYSA-N 0 0 435.505 3.867 40 0 IHABRN O=C(COc1ccc(I)cc1)Nc1nnc(-c2ccccc2)s1 ZINC000018702822 556690535 /nfs/dbraw/zinc/69/05/35/556690535.db2.gz MYOVSOPSIWUNDK-UHFFFAOYSA-N 0 0 437.262 3.827 40 0 IHABRN CN(C)c1cc(C2CCN(C(=O)c3cnc(C(C)(C)C)nc3)CC2)nc(-c2cccnc2)n1 ZINC000019084766 556698751 /nfs/dbraw/zinc/69/87/51/556698751.db2.gz GPOHQPPQYSFEKA-UHFFFAOYSA-N 0 0 445.571 3.712 40 0 IHABRN CCn1c(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)cc2cc(C)ccc21 ZINC000048512657 556699848 /nfs/dbraw/zinc/69/98/48/556699848.db2.gz OLWZSBOBECUGJF-OAQYLSRUSA-N 0 0 433.552 3.686 40 0 IHABRN Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C(=O)c3c[nH]nc3C)CC2)on1 ZINC000019122971 556701992 /nfs/dbraw/zinc/70/19/92/556701992.db2.gz NTBPSFNFLCWRGQ-UHFFFAOYSA-N 0 0 449.559 3.728 40 0 IHABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CSc3nc(C)c(C)o3)C1)N2 ZINC000019127972 556703851 /nfs/dbraw/zinc/70/38/51/556703851.db2.gz WKFGQPJJQDQIHN-OWCLPIDISA-N 0 0 439.532 3.818 40 0 IHABRN CC(=O)Nc1cc(NC(=O)CN2CCOC[C@@H](Cc3cccc4occc43)C2)ccc1C ZINC000257315356 556703944 /nfs/dbraw/zinc/70/39/44/556703944.db2.gz VAYVKSSFPGLCED-IBGZPJMESA-N 0 0 435.524 3.829 40 0 IHABRN O=C(c1cccc2ncccc21)N1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)CO2)CC1 ZINC000257321682 556704207 /nfs/dbraw/zinc/70/42/07/556704207.db2.gz WCSLEKBKJIINBB-VWLOTQADSA-N 0 0 433.483 3.802 40 0 IHABRN Cc1ccc(C)c(N2C[C@@H](C(=O)N3CCC[C@H](c4nc(-c5cccnc5)no4)C3)CC2=O)c1 ZINC000019133722 556705033 /nfs/dbraw/zinc/70/50/33/556705033.db2.gz DSWVJRHQADPWGR-PMACEKPBSA-N 0 0 445.523 3.508 40 0 IHABRN O=C(CN1CCO[C@@H](c2cncc(-c3ccccc3F)n2)C1)Nc1ccc2ncccc2c1 ZINC000257330345 556705686 /nfs/dbraw/zinc/70/56/86/556705686.db2.gz XNZDHSDSXHYFSZ-XMMPIXPASA-N 0 0 443.482 3.843 40 0 IHABRN Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)cc1 ZINC000019136067 556706411 /nfs/dbraw/zinc/70/64/11/556706411.db2.gz WVNQWEIYCDEZQD-VGOFRKELSA-N 0 0 448.567 3.643 40 0 IHABRN C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3cccc(Cn4ccnc4)c3)[C@H]1CCCC(=O)N2 ZINC000257227096 556708529 /nfs/dbraw/zinc/70/85/29/556708529.db2.gz FNPRFZQGRGEPBI-DXBVXKBHSA-N 0 0 442.563 3.816 40 0 IHABRN Cc1ccc(-c2nnc([C@@H]3CCCN3C(=O)Cn3nc(C(F)(F)F)cc3C)o2)s1 ZINC000019217691 556713056 /nfs/dbraw/zinc/71/30/56/556713056.db2.gz FXMFCUJYUGYFEK-LBPRGKRZSA-N 0 0 425.436 3.994 40 0 IHABRN CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccc(F)c(Cl)c2)(c2ccccc2)CC[C@@H]1O ZINC000257282891 556715217 /nfs/dbraw/zinc/71/52/17/556715217.db2.gz OVSPQBBIWJPNMW-FUDKSRODSA-N 0 0 432.923 3.587 40 0 IHABRN Cc1ccc2c(CC(=O)N3CCO[C@H](c4nc(Cc5ccccc5F)no4)C3)coc2c1 ZINC000019221639 556715732 /nfs/dbraw/zinc/71/57/32/556715732.db2.gz YJMAHLWOQLNLCS-NRFANRHFSA-N 0 0 435.455 3.997 40 0 IHABRN O=C(c1cccc2ncccc21)N1CCC[C@]2(CN(CCc3ccccc3)C(=O)CO2)CC1 ZINC000257290980 556716409 /nfs/dbraw/zinc/71/64/09/556716409.db2.gz QFCIQIRQLRAZKD-HHHXNRCGSA-N 0 0 443.547 3.701 40 0 IHABRN CCN1CCN(Cc2ccc(NC(C)=O)cc2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000257309918 556718070 /nfs/dbraw/zinc/71/80/70/556718070.db2.gz UCXISCAFNHPFKM-SANMLTNESA-N 0 0 442.563 3.982 40 0 IHABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)COc4c(C)cccc4C)nn3cn2)cc1 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556806942 /nfs/dbraw/zinc/80/69/42/556806942.db2.gz UNCYXHABPMJUJI-UBFVSLLYSA-N 0 0 441.531 3.861 40 0 IHABRN COc1cccc(C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c1OC ZINC000019567265 556807558 /nfs/dbraw/zinc/80/75/58/556807558.db2.gz GMZJVKJAXWIOCL-UHFFFAOYSA-N 0 0 439.537 3.611 40 0 IHABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000019568619 556808457 /nfs/dbraw/zinc/80/84/57/556808457.db2.gz JVNOIIGIMNAKNB-CQSZACIVSA-N 0 0 438.450 3.659 40 0 IHABRN Cc1cc(C(F)(F)F)c2c(=O)[nH]c([C@@H]3CCN(C(=O)c4cc(C(C)C)no4)C3)cc2n1 ZINC000019568528 556808564 /nfs/dbraw/zinc/80/85/64/556808564.db2.gz FGAZEOABYSMIEP-GFCCVEGCSA-N 0 0 434.418 3.991 40 0 IHABRN COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1C ZINC000019571227 556811254 /nfs/dbraw/zinc/81/12/54/556811254.db2.gz FOBPXLYTXBFZJC-HXUWFJFHSA-N 0 0 425.916 3.691 40 0 IHABRN CSCC[C@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019573936 556814030 /nfs/dbraw/zinc/81/40/30/556814030.db2.gz 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437.569 3.884 40 0 IHABRN O=C(COc1ccc(F)cc1)N1CC[C@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371696 556940016 /nfs/dbraw/zinc/94/00/16/556940016.db2.gz OTYDDRHBIXPYJG-INIZCTEOSA-N 0 0 427.451 3.704 40 0 IHABRN COc1cccc(CN2C(=O)Cc3c2nc([C@@H]2CCCCN2C(=O)CC(C)C)nc3C)c1 ZINC000072371828 556941074 /nfs/dbraw/zinc/94/10/74/556941074.db2.gz MOGFDVFKOPWLHN-NRFANRHFSA-N 0 0 436.556 3.983 40 0 IHABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 ZINC000072372931 556944959 /nfs/dbraw/zinc/94/49/59/556944959.db2.gz QIQLLBPCKADLOR-JOCHJYFZSA-N 0 0 446.555 3.644 40 0 IHABRN CCc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)s1 ZINC000019929312 556947483 /nfs/dbraw/zinc/94/74/83/556947483.db2.gz YVIREBYFWMYGDA-UHFFFAOYSA-N 0 0 425.923 3.755 40 0 IHABRN CCN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929703 556947683 /nfs/dbraw/zinc/94/76/83/556947683.db2.gz YPNFHWNZKILLLL-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930152 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557230094 /nfs/dbraw/zinc/23/00/94/557230094.db2.gz NVZRZORMOOXZEF-UHFFFAOYSA-N 0 0 432.545 3.975 40 0 IHABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@@H](C)c1ccc(C)c(C)c1)=C2C ZINC000219194052 557230920 /nfs/dbraw/zinc/23/09/20/557230920.db2.gz FGDBXQGHGVRCEI-INIZCTEOSA-N 0 0 444.553 3.709 40 0 IHABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@H](C)c1ccc(C)c(C)c1)=C2C ZINC000219194131 557230973 /nfs/dbraw/zinc/23/09/73/557230973.db2.gz FGDBXQGHGVRCEI-MRXNPFEDSA-N 0 0 444.553 3.709 40 0 IHABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)N[C@@H](C)c2ccc(F)cc2)S1(=O)=O ZINC000219196734 557231204 /nfs/dbraw/zinc/23/12/04/557231204.db2.gz NWGGSRJSMPPHJN-AWEZNQCLSA-N 0 0 448.516 3.621 40 0 IHABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000219259239 557234282 /nfs/dbraw/zinc/23/42/82/557234282.db2.gz CSTAIHGYYCCUSH-AEFFLSMTSA-N 0 0 448.610 3.876 40 0 IHABRN C[C@@]1(O)CCN(C(=O)COc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383065 557237385 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/nfs/dbraw/zinc/79/85/39/557798539.db2.gz NSICLPNNZHUORB-UHFFFAOYSA-N 0 0 429.565 3.559 40 0 IHABRN COc1ccc([C@@H](C)NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000225979652 557798705 /nfs/dbraw/zinc/79/87/05/557798705.db2.gz CBVSIKGOIHFTNX-GOSISDBHSA-N 0 0 438.549 3.940 40 0 IHABRN COc1ccc(N(C)C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000225997469 557799722 /nfs/dbraw/zinc/79/97/22/557799722.db2.gz LMEKQOCJTMAJFW-UHFFFAOYSA-N 0 0 438.549 3.592 40 0 IHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccc(F)cc2)Cc2ccccc2)cc1 ZINC000225999107 557799845 /nfs/dbraw/zinc/79/98/45/557799845.db2.gz OUJKGNPQERIVSK-UHFFFAOYSA-N 0 0 426.513 3.988 40 0 IHABRN COc1cc(C(F)(F)F)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 ZINC000226001977 557799930 /nfs/dbraw/zinc/79/99/30/557799930.db2.gz ZSSQBEWXMDLYCG-UHFFFAOYSA-N 0 0 444.454 3.678 40 0 IHABRN Cc1nc(-c2cccc(NC(=O)CN(CCc3ccccc3)S(C)(=O)=O)c2)cs1 ZINC000226060345 557803366 /nfs/dbraw/zinc/80/33/66/557803366.db2.gz QJSZVTZERBALHY-UHFFFAOYSA-N 0 0 429.567 3.561 40 0 IHABRN Cc1cc(C)cc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000033645513 557809653 /nfs/dbraw/zinc/80/96/53/557809653.db2.gz UFAYSJBQYCXEPS-UHFFFAOYSA-N 0 0 425.348 3.779 40 0 IHABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1 ZINC000059131910 557815062 /nfs/dbraw/zinc/81/50/62/557815062.db2.gz FZDGDGVLXNOOIQ-KRWDZBQOSA-N 0 0 435.524 3.749 40 0 IHABRN CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@@H](OC(C)=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]2(C)C1 ZINC000123378854 557837460 /nfs/dbraw/zinc/83/74/60/557837460.db2.gz QWVDWZWSHZMUAY-UGQKDEDHSA-N 0 0 448.556 3.613 40 0 IHABRN CC(=O)O[C@@H](C)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000123406096 557837486 /nfs/dbraw/zinc/83/74/86/557837486.db2.gz YSWRIYFDFKLCHS-PWFGDKCLSA-N 0 0 436.589 3.614 40 0 IHABRN Cc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000096099598 557837989 /nfs/dbraw/zinc/83/79/89/557837989.db2.gz VYRRBIDODFDMHZ-JJTKIYQPSA-N 0 0 439.986 3.806 40 0 IHABRN CCOc1ccc(N(CCCC(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000260767874 557854181 /nfs/dbraw/zinc/85/41/81/557854181.db2.gz PQNGWBPUXWZANT-QGZVFWFLSA-N 0 0 434.558 3.518 40 0 IHABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 ZINC000260805354 557857878 /nfs/dbraw/zinc/85/78/78/557857878.db2.gz BIPNRWVSKRDEGV-OAHLLOKOSA-N 0 0 430.555 3.615 40 0 IHABRN CN(CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000260843182 557861647 /nfs/dbraw/zinc/86/16/47/557861647.db2.gz OUYGZCIPMJDLBY-FQEVSTJZSA-N 0 0 428.554 3.650 40 0 IHABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCC1CCCCC1)O2 ZINC000260853147 557862349 /nfs/dbraw/zinc/86/23/49/557862349.db2.gz VKEDQPDXLILJKN-JOCHJYFZSA-N 0 0 428.554 3.648 40 0 IHABRN COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c2ccccc12 ZINC000015674955 560095849 /nfs/dbraw/zinc/09/58/49/560095849.db2.gz VRRXNEHEVXJBQV-XLIONFOSSA-N 0 0 445.475 3.935 40 0 biogenic,in-vitro IHABRN 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ZINC000260930942 568630722 /nfs/dbraw/zinc/63/07/22/568630722.db2.gz LIXMLLATDAZVKS-QGZVFWFLSA-N 0 0 430.570 3.608 40 0 IHABRN CCc1ccc(N([C@H](C)C(=O)NCCOc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000260941265 568631090 /nfs/dbraw/zinc/63/10/90/568631090.db2.gz SEPQAQJQECLMPW-GOSISDBHSA-N 0 0 440.565 3.752 40 0 IHABRN CC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 ZINC000260943069 568631375 /nfs/dbraw/zinc/63/13/75/568631375.db2.gz SYAKPUZHBNFNSG-QGZVFWFLSA-N 0 0 430.570 3.606 40 0 IHABRN COc1ccccc1-c1ccccc1C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(C(C)C)n[nH]1 ZINC000257199684 568664937 /nfs/dbraw/zinc/66/49/37/568664937.db2.gz AALWIMLPGJOXIU-QHCPKHFHSA-N 0 0 446.551 3.734 40 0 IHABRN Cc1c(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cnn1C ZINC000257202781 568666498 /nfs/dbraw/zinc/66/64/98/568666498.db2.gz ANKLKUKPQMPEOD-NRFANRHFSA-N 0 0 444.457 3.947 40 0 IHABRN O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@H](Cc2cccn3nccc23)CC1 ZINC000257203059 568666851 /nfs/dbraw/zinc/66/68/51/568666851.db2.gz 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O=C(c1cc(COc2ccccc2F)on1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 ZINC000257217582 568673182 /nfs/dbraw/zinc/67/31/82/568673182.db2.gz CZOLTEFJHIPRIQ-UGKGYDQZSA-N 0 0 444.434 3.576 40 0 IHABRN CCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCCc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000257217791 568673201 /nfs/dbraw/zinc/67/32/01/568673201.db2.gz DAPOTPNXIUOBNB-QGZVFWFLSA-N 0 0 436.478 3.523 40 0 IHABRN CCN1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000257221394 568674867 /nfs/dbraw/zinc/67/48/67/568674867.db2.gz DOWNUXRIRZRKFZ-QFIPXVFZSA-N 0 0 445.567 3.685 40 0 IHABRN Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257221782 568675285 /nfs/dbraw/zinc/67/52/85/568675285.db2.gz DQMFYVUXMWSQQW-JOCHJYFZSA-N 0 0 432.480 3.514 40 0 IHABRN CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000257221703 568675304 /nfs/dbraw/zinc/67/53/04/568675304.db2.gz DQDYQYROSHGSGV-DEOSSOPVSA-N 0 0 445.567 3.901 40 0 IHABRN Cc1cccc(OC(C)(C)C(=O)N2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c1C ZINC000257223436 568675790 /nfs/dbraw/zinc/67/57/90/568675790.db2.gz DXIVQJYQYJNNFI-QFIPXVFZSA-N 0 0 447.539 3.990 40 0 IHABRN CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)c2ccccn2)CC1 ZINC000257230561 568679130 /nfs/dbraw/zinc/67/91/30/568679130.db2.gz GCWILUUVRGYWNV-UHFFFAOYSA-N 0 0 428.536 3.745 40 0 IHABRN COCc1cc(CN2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)ccc1OC(C)C ZINC000257231624 568679638 /nfs/dbraw/zinc/67/96/38/568679638.db2.gz GHNDTAUMXAAZSJ-RUZDIDTESA-N 0 0 436.556 3.989 40 0 IHABRN CC(C)(C)C(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1 ZINC000257234544 568681324 /nfs/dbraw/zinc/68/13/24/568681324.db2.gz GUBKHOCBOUVXNE-QHCPKHFHSA-N 0 0 436.980 3.765 40 0 IHABRN Cc1cc(C)n(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)ccc2F)n1 ZINC000257236375 568682160 /nfs/dbraw/zinc/68/21/60/568682160.db2.gz HBXBYOXFXAQLIY-UHFFFAOYSA-N 0 0 444.513 3.894 40 0 IHABRN COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3C(=O)CCCCCNC(C)=O)O[C@H]21 ZINC000257241172 568684293 /nfs/dbraw/zinc/68/42/93/568684293.db2.gz HWXJOJKKDUAUOR-FAKFISEUSA-N 0 0 444.572 3.610 40 0 IHABRN CCn1cc(CN2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)c2ccc(F)cc21 ZINC000257246070 568686716 /nfs/dbraw/zinc/68/67/16/568686716.db2.gz ISIAGEKLELZKPM-QHCPKHFHSA-N 0 0 432.503 3.808 40 0 IHABRN CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cnc3ccccc3c2)C1 ZINC000257248425 568687720 /nfs/dbraw/zinc/68/77/20/568687720.db2.gz JDQULBYUXOSWSC-OAHLLOKOSA-N 0 0 431.521 3.571 40 0 IHABRN CCc1[nH]nc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@H]3Cc2ccccc2)c1C ZINC000257248607 568687889 /nfs/dbraw/zinc/68/78/89/568687889.db2.gz JEKLWKOKCISRDH-FMLGWJCWSA-N 0 0 434.584 3.896 40 0 IHABRN Cc1nc(C)c(C(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)o1 ZINC000257250447 568688736 /nfs/dbraw/zinc/68/87/36/568688736.db2.gz JMOMKUICKFRISX-HXUWFJFHSA-N 0 0 431.540 3.972 40 0 IHABRN COc1cc2c(cc1CN1CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CCC2 ZINC000257251813 568689400 /nfs/dbraw/zinc/68/94/00/568689400.db2.gz JSIRLUPMWHHOAR-QHCPKHFHSA-N 0 0 433.556 3.938 40 0 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556618990 /nfs/dbraw/zinc/61/89/90/556618990.db2.gz KVQZNSIAZRBJDX-UHFFFAOYSA-N 0 0 430.476 3.861 40 0 IHABRN CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985512 556632217 /nfs/dbraw/zinc/63/22/17/556632217.db2.gz UIMWXRRYDGMCQD-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000100980984 556634101 /nfs/dbraw/zinc/63/41/01/556634101.db2.gz WICAFJARVFFQNN-MAEOIBBWSA-N 0 0 441.553 3.900 40 0 IHABRN Cc1ccccc1N1C(=S)N(c2cccc(Br)c2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000016740624 556634570 /nfs/dbraw/zinc/63/45/70/556634570.db2.gz YFFLHTQEMBOLBK-IAGOWNOFSA-N 0 0 437.384 3.535 40 0 IHABRN COCc1nn2c(nnc(C(=O)Nc3cc(C)ccc3OC)c2C)c1-c1ccc(OC)cc1 ZINC000040372592 556635216 /nfs/dbraw/zinc/63/52/16/556635216.db2.gz LHXVNOUAQWSBNZ-UHFFFAOYSA-N 0 0 447.495 3.824 40 0 IHABRN COc1ccc(Cn2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)cc1OC ZINC000040392377 556638503 /nfs/dbraw/zinc/63/85/03/556638503.db2.gz KIECUEBZMBLMRV-UHFFFAOYSA-N 0 0 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ZINC000408969803 556904334 /nfs/dbraw/zinc/90/43/34/556904334.db2.gz UXYWFLCEOWJPGS-UHFFFAOYSA-N 0 0 441.322 3.628 40 0 IHABRN COc1ccc(C2(C(=O)N3CCC4(C[C@](O)(c5nccs5)CO4)CC3)CCCC2)cc1 ZINC000072335666 556908425 /nfs/dbraw/zinc/90/84/25/556908425.db2.gz JLPQKIGLLCEYQR-XMMPIXPASA-N 0 0 442.581 3.633 40 0 IHABRN Cc1nccn1CCCC(=O)N1CCC[C@@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 ZINC000019765255 556909907 /nfs/dbraw/zinc/90/99/07/556909907.db2.gz JCYRMEFEVFYQLR-HXUWFJFHSA-N 0 0 446.555 3.729 40 0 IHABRN Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)cc2c1 ZINC000019765663 556910237 /nfs/dbraw/zinc/91/02/37/556910237.db2.gz RQSBDSZLRMLIHF-HXUWFJFHSA-N 0 0 448.523 3.679 40 0 IHABRN CC(=O)Nc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)cc1 ZINC000072340716 556912520 /nfs/dbraw/zinc/91/25/20/556912520.db2.gz XEUHRFQVENOYBB-RUZDIDTESA-N 0 0 434.515 3.583 40 0 IHABRN CC(C)(C)c1cc2nc([C@H]3CCCN(C(=O)c4cnccn4)C3)cc(C(F)(F)F)n2n1 ZINC000072341102 556913579 /nfs/dbraw/zinc/91/35/79/556913579.db2.gz DAZNZPXVFQVKTF-ZDUSSCGKSA-N 0 0 432.450 3.855 40 0 IHABRN CC[C@@H](C)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000409002523 556914792 /nfs/dbraw/zinc/91/47/92/556914792.db2.gz OGRQCGGKFRRJCU-NQIIRXRSSA-N 0 0 426.513 3.720 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCCC2)cc1OC ZINC000409004751 556915339 /nfs/dbraw/zinc/91/53/39/556915339.db2.gz QRRISTVJENTXSI-UHFFFAOYSA-N 0 0 432.542 3.666 40 0 IHABRN COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)C2CCCCC2)nc1C ZINC000072345381 556916929 /nfs/dbraw/zinc/91/69/29/556916929.db2.gz FDCQWHPSGDEJME-NRFANRHFSA-N 0 0 436.556 3.967 40 0 IHABRN CC(C)n1nc(CC(=O)NC2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc2c1=O ZINC000072346545 556917940 /nfs/dbraw/zinc/91/79/40/556917940.db2.gz IUFYXGIZIBYTRT-UHFFFAOYSA-N 0 0 433.508 3.834 40 0 IHABRN CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)Cc4ccccc4OC)C3)c(=O)c12 ZINC000072347734 556918978 /nfs/dbraw/zinc/91/89/78/556918978.db2.gz OQEXAIHDYHYPKP-QGZVFWFLSA-N 0 0 425.554 3.744 40 0 IHABRN CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c1C ZINC000072350177 556920437 /nfs/dbraw/zinc/92/04/37/556920437.db2.gz FGASKDJPNOFZBZ-IBGZPJMESA-N 0 0 440.569 3.850 40 0 IHABRN Cc1cc(C)n(CCCC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3cccc(F)c3)c2)n1 ZINC000072351415 556921329 /nfs/dbraw/zinc/92/13/29/556921329.db2.gz GSFBDHAGPLIBPQ-DEOSSOPVSA-N 0 0 448.542 3.656 40 0 IHABRN COc1cc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc(OC)c1OC ZINC000409016855 556921740 /nfs/dbraw/zinc/92/17/40/556921740.db2.gz KHSPWKNJULEEDV-UHFFFAOYSA-N 0 0 430.545 3.571 40 0 IHABRN Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)CC3CCCC3)CC2)n1 ZINC000072352146 556922991 /nfs/dbraw/zinc/92/29/91/556922991.db2.gz GUUIUQQPAIJPFV-UHFFFAOYSA-N 0 0 440.563 3.851 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000409024581 556925378 /nfs/dbraw/zinc/92/53/78/556925378.db2.gz FEDOYUOYPIFXDP-UHFFFAOYSA-N 0 0 439.430 3.942 40 0 IHABRN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)c2)cn1 ZINC000072353640 556927453 /nfs/dbraw/zinc/92/74/53/556927453.db2.gz XMHRCGTVWVIKKD-FQEVSTJZSA-N 0 0 446.526 3.899 40 0 IHABRN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)n1 ZINC000072353703 556927722 /nfs/dbraw/zinc/92/77/22/556927722.db2.gz BEQOSAZYCSOCLK-IBGZPJMESA-N 0 0 431.540 3.831 40 0 IHABRN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 ZINC000072353726 556928083 /nfs/dbraw/zinc/92/80/83/556928083.db2.gz NQEREPXMNFNIPF-KRWDZBQOSA-N 0 0 435.503 3.743 40 0 IHABRN COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000409052504 556930831 /nfs/dbraw/zinc/93/08/31/556930831.db2.gz UGFGGCNIULDSQQ-UHFFFAOYSA-N 0 0 441.959 3.550 40 0 IHABRN O=C(CN1CCOCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358039 556931578 /nfs/dbraw/zinc/93/15/78/556931578.db2.gz SEMCWDZVRJGWFG-OAQYLSRUSA-N 0 0 433.474 3.687 40 0 IHABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860741 556933147 /nfs/dbraw/zinc/93/31/47/556933147.db2.gz MRYSOGTYPAQDQB-QGZVFWFLSA-N 0 0 436.961 3.919 40 0 IHABRN CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019866422 556934389 /nfs/dbraw/zinc/93/43/89/556934389.db2.gz DJIYRLWVJBJSTM-QGZVFWFLSA-N 0 0 436.961 3.919 40 0 IHABRN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868343 556935223 /nfs/dbraw/zinc/93/52/23/556935223.db2.gz YALNAOMIUJDFLZ-UHFFFAOYSA-N 0 0 441.380 3.852 40 0 IHABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)CN1CCCC1=O ZINC000072370565 556935481 /nfs/dbraw/zinc/93/54/81/556935481.db2.gz NTUCQDHETJMCBQ-KRWDZBQOSA-N 0 0 441.597 3.586 40 0 IHABRN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ncc[nH]1 ZINC000072370653 556935727 /nfs/dbraw/zinc/93/57/27/556935727.db2.gz PHSZSYXJCMMUMM-KRWDZBQOSA-N 0 0 426.586 3.988 40 0 IHABRN Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cccc3ccccc32)n1C ZINC000409058931 556935743 /nfs/dbraw/zinc/93/57/43/556935743.db2.gz PKGQDTRIVCSUDT-UHFFFAOYSA-N 0 0 445.548 3.938 40 0 IHABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCc1noc(C)n1 ZINC000072370792 556936549 /nfs/dbraw/zinc/93/65/49/556936549.db2.gz QWRBYLMINGJIIW-MRXNPFEDSA-N 0 0 426.542 3.856 40 0 IHABRN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCC(=O)NC(C)(C)C ZINC000072370804 556936842 /nfs/dbraw/zinc/93/68/42/556936842.db2.gz QKLPPHJUFAKKCO-KRWDZBQOSA-N 0 0 443.613 3.879 40 0 IHABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCC(=O)NC(C)(C)C ZINC000072370803 556936867 /nfs/dbraw/zinc/93/68/67/556936867.db2.gz QKLPPHJUFAKKCO-QGZVFWFLSA-N 0 0 443.613 3.879 40 0 IHABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2C)n1C ZINC000409054976 556938466 /nfs/dbraw/zinc/93/84/66/556938466.db2.gz OTGUMWIXYGFSMY-UHFFFAOYSA-N 0 0 443.960 3.746 40 0 IHABRN CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000409061409 556939052 /nfs/dbraw/zinc/93/90/52/556939052.db2.gz WZJREVZDIMQKOX-UHFFFAOYSA-N 0 0 441.532 3.715 40 0 IHABRN CCn1ccc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)n1 ZINC000072371667 556939963 /nfs/dbraw/zinc/93/99/63/556939963.db2.gz CVGRYMNWOULTOY-HNNXBMFYSA-N 0 0 447.461 3.896 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CC[C@H](c3cc(CCOc4ccc(F)cc4)n[nH]3)C2)cc1C ZINC000072371717 556940495 /nfs/dbraw/zinc/94/04/95/556940495.db2.gz RTUFQFNIWPFSPN-SFHVURJKSA-N 0 0 443.544 3.965 40 0 IHABRN O=C(COc1ccc(F)cc1)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371700 556940501 /nfs/dbraw/zinc/94/05/01/556940501.db2.gz XOHRWRAMLFCDDS-OAHLLOKOSA-N 0 0 445.441 3.843 40 0 IHABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 ZINC000072372902 556944974 /nfs/dbraw/zinc/94/49/74/556944974.db2.gz FMUAWVVWMMNIMB-HSZRJFAPSA-N 0 0 444.583 3.800 40 0 IHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)Cc2cccc(C)c2)cc1 ZINC000409073885 556946740 /nfs/dbraw/zinc/94/67/40/556946740.db2.gz UHHUVSJPPSXLGZ-UHFFFAOYSA-N 0 0 436.577 3.853 40 0 IHABRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929727 556947927 /nfs/dbraw/zinc/94/79/27/556947927.db2.gz JQOUCTPNYDVNMR-UHFFFAOYSA-N 0 0 430.448 3.672 40 0 IHABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)c(C)c3)C2=O)c1 ZINC000409083177 556948160 /nfs/dbraw/zinc/94/81/60/556948160.db2.gz AAGJCKPINMDAMM-HYARGMPZSA-N 0 0 428.492 3.934 40 0 IHABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000019930818 556948510 /nfs/dbraw/zinc/94/85/10/556948510.db2.gz PMFLSJLYXAQLAG-UHFFFAOYSA-N 0 0 430.423 3.857 40 0 IHABRN CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)c3cccc(CN4CCCC4=O)c3)ccc12 ZINC000072374562 556948522 /nfs/dbraw/zinc/94/85/22/556948522.db2.gz MZOMUIKTEDFVKT-OAQYLSRUSA-N 0 0 446.555 3.878 40 0 IHABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c(C)c1 ZINC000019931312 556948874 /nfs/dbraw/zinc/94/88/74/556948874.db2.gz JKXHHYLPEDWATO-QHCPKHFHSA-N 0 0 436.577 3.818 40 0 IHABRN CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409093506 556949532 /nfs/dbraw/zinc/94/95/32/556949532.db2.gz AENVAEQLNPYADR-YBEGLDIGSA-N 0 0 434.279 3.924 40 0 IHABRN CCOc1cccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000019934719 556950435 /nfs/dbraw/zinc/95/04/35/556950435.db2.gz ILVWJHFGVLATNV-UHFFFAOYSA-N 0 0 438.549 3.982 40 0 IHABRN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCCO4)n2)n1 ZINC000072375169 556950772 /nfs/dbraw/zinc/95/07/72/556950772.db2.gz LGRDVXHQDBGGPS-IBGZPJMESA-N 0 0 431.496 3.981 40 0 IHABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000019937678 556951420 /nfs/dbraw/zinc/95/14/20/556951420.db2.gz ANYZVMHMRVIBTQ-UHFFFAOYSA-N 0 0 443.334 3.635 40 0 IHABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3c(C)cc(C)n(C)c3=O)n2)s1 ZINC000072375536 556951647 /nfs/dbraw/zinc/95/16/47/556951647.db2.gz IXSYWKNJBNTBJP-MRXNPFEDSA-N 0 0 438.557 3.532 40 0 IHABRN COc1ccc([C@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1OC ZINC000019937731 556951715 /nfs/dbraw/zinc/95/17/15/556951715.db2.gz VYBDFPMTOHZPQK-ZDUSSCGKSA-N 0 0 427.888 3.527 40 0 IHABRN COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ncccn3)n2)cc1C ZINC000072375818 556953016 /nfs/dbraw/zinc/95/30/16/556953016.db2.gz WIWIMAZWDYJINE-SFHVURJKSA-N 0 0 439.541 3.766 40 0 IHABRN Nn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccccc1 ZINC000409096434 556953115 /nfs/dbraw/zinc/95/31/15/556953115.db2.gz KDHRHXLKRBFNAI-UHFFFAOYSA-N 0 0 438.738 3.806 40 0 IHABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cncc(Nc2cccc(C)n2)n1 ZINC000072376352 556954480 /nfs/dbraw/zinc/95/44/80/556954480.db2.gz KFJSNZFADCJESE-SFHVURJKSA-N 0 0 439.541 3.766 40 0 IHABRN COc1ccc([C@H]2NC3=NCN(C4CCCCC4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960406 556955316 /nfs/dbraw/zinc/95/53/16/556955316.db2.gz LFVHQLXKAGUIJU-QHCPKHFHSA-N 0 0 446.555 3.929 40 0 IHABRN CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000020006446 556958463 /nfs/dbraw/zinc/95/84/63/556958463.db2.gz VJWBNAFZCYZTIU-DNVCBOLYSA-N 0 0 438.977 3.543 40 0 IHABRN O=C(NCCC1=CCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007605 556958691 /nfs/dbraw/zinc/95/86/91/556958691.db2.gz PDUXOKLCAFYFPE-JOCHJYFZSA-N 0 0 430.545 3.722 40 0 IHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2F)cc1C ZINC000020008733 556959643 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/nfs/dbraw/zinc/40/20/30/557402030.db2.gz YJYSRPMECSWWSK-QGZVFWFLSA-N 0 0 430.520 3.575 40 0 IHABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000222927928 557404163 /nfs/dbraw/zinc/40/41/63/557404163.db2.gz ZBZHVDIPKOXJEL-JOCHJYFZSA-N 0 0 444.597 3.981 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000222931533 557404631 /nfs/dbraw/zinc/40/46/31/557404631.db2.gz MNJLMBYBYFSOSN-INIZCTEOSA-N 0 0 430.932 3.597 40 0 IHABRN CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118915697 557405712 /nfs/dbraw/zinc/40/57/12/557405712.db2.gz ZGSRADNVNCTCOP-KRSPYORBSA-N 0 0 446.584 3.943 40 0 in-vitro IHABRN CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118915698 557405752 /nfs/dbraw/zinc/40/57/52/557405752.db2.gz ZGSRADNVNCTCOP-VGQCIYDMSA-N 0 0 446.584 3.943 40 0 in-vitro IHABRN COc1ccc(/C=C2\SC(=O)N(CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000033538984 557408799 /nfs/dbraw/zinc/40/87/99/557408799.db2.gz FMHGSFHMLCYQNI-STZFKDTASA-N 0 0 449.532 3.962 40 0 IHABRN C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222982146 557410993 /nfs/dbraw/zinc/41/09/93/557410993.db2.gz FOEPAISMEYEHDN-GOSISDBHSA-N 0 0 426.582 3.982 40 0 IHABRN CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000222990974 557413073 /nfs/dbraw/zinc/41/30/73/557413073.db2.gz LRAGRHBBPJDTBL-UHFFFAOYSA-N 0 0 429.369 3.897 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(CC)cc1 ZINC000223021649 557416496 /nfs/dbraw/zinc/41/64/96/557416496.db2.gz BDJKPBBEBJYXJX-INIZCTEOSA-N 0 0 447.373 3.944 40 0 IHABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223040948 557419676 /nfs/dbraw/zinc/41/96/76/557419676.db2.gz KTWXJZUPVYTJQZ-UZUQRXQVSA-N 0 0 444.597 3.996 40 0 IHABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000223040174 557419782 /nfs/dbraw/zinc/41/97/82/557419782.db2.gz CFSHGZTYPBADRK-LLVKDONJSA-N 0 0 444.354 3.989 40 0 IHABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C ZINC000223042249 557420129 /nfs/dbraw/zinc/42/01/29/557420129.db2.gz YBEXVLIWRZDPAL-MOPGFXCFSA-N 0 0 427.599 3.955 40 0 IHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223092152 557430130 /nfs/dbraw/zinc/43/01/30/557430130.db2.gz TXOLGEPVYIOJRW-FQEVSTJZSA-N 0 0 447.373 3.998 40 0 IHABRN COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1OC ZINC000223120748 557434359 /nfs/dbraw/zinc/43/43/59/557434359.db2.gz UOPBHLBBXSURKF-UHFFFAOYSA-N 0 0 431.514 3.539 40 0 IHABRN O=C([C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCCCCC1 ZINC000026113518 557440529 /nfs/dbraw/zinc/44/05/29/557440529.db2.gz NZMOKVYHGJFCJO-FQEVSTJZSA-N 0 0 434.945 3.699 40 0 IHABRN CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 ZINC000223171339 557441330 /nfs/dbraw/zinc/44/13/30/557441330.db2.gz LNVXDPYWWUBMRX-IRXDYDNUSA-N 0 0 430.570 3.606 40 0 IHABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C1CC1 ZINC000223174439 557441562 /nfs/dbraw/zinc/44/15/62/557441562.db2.gz CKIMAFZHCHAHPC-GOTSBHOMSA-N 0 0 439.629 3.530 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cccc(Cl)c1Cl ZINC000223183717 557442854 /nfs/dbraw/zinc/44/28/54/557442854.db2.gz MCGVJZHFKIZMMC-UHFFFAOYSA-N 0 0 425.403 3.551 40 0 IHABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1CCCN1CCOCC1 ZINC000223193350 557444153 /nfs/dbraw/zinc/44/41/53/557444153.db2.gz XMFFNYBQTFQLSM-DNQXCXABSA-N 0 0 447.608 3.567 40 0 IHABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223204027 557445760 /nfs/dbraw/zinc/44/57/60/557445760.db2.gz LJLADNLPCYAYIA-QHCPKHFHSA-N 0 0 428.548 3.964 40 0 IHABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc2c(c1)CCC2 ZINC000223214286 557446958 /nfs/dbraw/zinc/44/69/58/557446958.db2.gz LJBHNXQUKKNCSW-KRWDZBQOSA-N 0 0 444.572 3.734 40 0 IHABRN CC(C)Oc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 ZINC000223234274 557449130 /nfs/dbraw/zinc/44/91/30/557449130.db2.gz SHKPXRIFAXSFIB-KRWDZBQOSA-N 0 0 430.570 3.606 40 0 IHABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223236893 557449696 /nfs/dbraw/zinc/44/96/96/557449696.db2.gz QECPWXPGMUUCCO-AOMKIAJQSA-N 0 0 430.570 3.606 40 0 IHABRN CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)cc1C ZINC000223246667 557450805 /nfs/dbraw/zinc/45/08/05/557450805.db2.gz GDJLWVIQXDKJCO-KRWDZBQOSA-N 0 0 430.555 3.837 40 0 IHABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223264807 557452519 /nfs/dbraw/zinc/45/25/19/557452519.db2.gz HOQZXIMKXTYJIK-XMMPIXPASA-N 0 0 431.536 3.757 40 0 IHABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000223273257 557454590 /nfs/dbraw/zinc/45/45/90/557454590.db2.gz DLOUSXPBYRONAL-ZEQRLZLVSA-N 0 0 438.568 3.586 40 0 IHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223279780 557454978 /nfs/dbraw/zinc/45/49/78/557454978.db2.gz WHNJZZLWLHMDIX-SFHVURJKSA-N 0 0 442.531 3.863 40 0 IHABRN CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223320275 557458738 /nfs/dbraw/zinc/45/87/38/557458738.db2.gz CZBWFPLRALQDGS-VWLOTQADSA-N 0 0 432.520 3.762 40 0 IHABRN CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC ZINC000223326498 557459495 /nfs/dbraw/zinc/45/94/95/557459495.db2.gz SQDMEWDEAXPHPZ-INIZCTEOSA-N 0 0 448.585 3.925 40 0 IHABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-n1cnnc1 ZINC000223374893 557464220 /nfs/dbraw/zinc/46/42/20/557464220.db2.gz RWUWRMVFHIYEBJ-YADHBBJMSA-N 0 0 429.553 3.576 40 0 IHABRN CCc1cccc(C)c1NC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 ZINC000223381886 557465417 /nfs/dbraw/zinc/46/54/17/557465417.db2.gz RSMCBYISHQGSOB-UHFFFAOYSA-N 0 0 438.553 3.729 40 0 IHABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccc(Cl)cc3)o2)cc1 ZINC000223401985 557467076 /nfs/dbraw/zinc/46/70/76/557467076.db2.gz CVMZZSABZDXCRR-UHFFFAOYSA-N 0 0 432.929 3.992 40 0 IHABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccccc3Cl)o2)cc1 ZINC000223401904 557467083 /nfs/dbraw/zinc/46/70/83/557467083.db2.gz YLNDLDKDPUVZIP-UHFFFAOYSA-N 0 0 432.929 3.992 40 0 IHABRN CC(=O)Nc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000223405659 557467517 /nfs/dbraw/zinc/46/75/17/557467517.db2.gz RMEVVNTZYIEQOZ-UHFFFAOYSA-N 0 0 441.509 3.619 40 0 IHABRN NC(=O)c1c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000016477672 557474272 /nfs/dbraw/zinc/47/42/72/557474272.db2.gz JFBHKABWYLBOHH-UHFFFAOYSA-N 0 0 435.574 3.981 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000223457154 557474333 /nfs/dbraw/zinc/47/43/33/557474333.db2.gz SESSVECWTYVYCH-IBGZPJMESA-N 0 0 444.597 3.907 40 0 IHABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C ZINC000223467806 557475432 /nfs/dbraw/zinc/47/54/32/557475432.db2.gz JCECOWOTMXUMFK-YWZLYKJASA-N 0 0 436.961 3.670 40 0 IHABRN CCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000017097286 557478595 /nfs/dbraw/zinc/47/85/95/557478595.db2.gz RUJBNMUOULZFCH-UHFFFAOYSA-N 0 0 430.961 3.525 40 0 IHABRN COc1ccc(OC)c(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000223492516 557479119 /nfs/dbraw/zinc/47/91/19/557479119.db2.gz UWTCJJMUSDRRGH-UHFFFAOYSA-N 0 0 444.553 3.516 40 0 IHABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000017097648 557479452 /nfs/dbraw/zinc/47/94/52/557479452.db2.gz UIADOPFCDKOCKO-LBPRGKRZSA-N 0 0 431.583 3.886 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1cccc2ccccc21 ZINC000223535559 557483133 /nfs/dbraw/zinc/48/31/33/557483133.db2.gz SXONEVUXFBIPJJ-UHFFFAOYSA-N 0 0 438.549 3.742 40 0 IHABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C(=O)NCCCO)c2ccccc2)cc1 ZINC000223558661 557485967 /nfs/dbraw/zinc/48/59/67/557485967.db2.gz NBDJHBPJPQLCQG-SANMLTNESA-N 0 0 446.547 3.506 40 0 IHABRN C[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1ccccc1)S(C)(=O)=O ZINC000223564151 557486805 /nfs/dbraw/zinc/48/68/05/557486805.db2.gz BKJJTQJERRENTD-GFCCVEGCSA-N 0 0 436.946 3.652 40 0 IHABRN CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 ZINC000223570797 557487422 /nfs/dbraw/zinc/48/74/22/557487422.db2.gz WYHZTQLPSUCKFH-VWLOTQADSA-N 0 0 432.520 3.980 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223572296 557487738 /nfs/dbraw/zinc/48/77/38/557487738.db2.gz METHPYPBDOYVES-SFHVURJKSA-N 0 0 429.520 3.662 40 0 IHABRN O=S(=O)(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Br)cc1 ZINC000223580472 557488456 /nfs/dbraw/zinc/48/84/56/557488456.db2.gz NARCQEPBNFRXJH-UHFFFAOYSA-N 0 0 428.695 3.631 40 0 IHABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000223585892 557489178 /nfs/dbraw/zinc/48/91/78/557489178.db2.gz IINQMLBPEHWWOR-UHFFFAOYSA-N 0 0 428.514 3.639 40 0 IHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccccc2F)cc1 ZINC000223590678 557489654 /nfs/dbraw/zinc/48/96/54/557489654.db2.gz PDEBTUMBYRGQOP-UHFFFAOYSA-N 0 0 442.512 3.525 40 0 IHABRN Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1C ZINC000223600099 557490594 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COc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000022231160 526177684 /nfs/dbraw/zinc/17/76/84/526177684.db2.gz MGYPDYQNIFPRSB-UHFFFAOYSA-N 0 0 440.521 3.679 40 0 IHABRN Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000022329675 526201278 /nfs/dbraw/zinc/20/12/78/526201278.db2.gz XNIOLBPGMIUOOT-HXUWFJFHSA-N 0 0 430.570 3.796 40 0 IHABRN Cc1ccc2nc(COc3cccc(NC(=O)Nc4ccc5c(c4)OCO5)c3)cc(=O)n2c1 ZINC000041077197 526249972 /nfs/dbraw/zinc/24/99/72/526249972.db2.gz JTYQLOJHUNOHGR-UHFFFAOYSA-N 0 0 444.447 3.955 40 0 IHABRN O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000020450924 526275973 /nfs/dbraw/zinc/27/59/73/526275973.db2.gz GCPMVLUYJDAMHW-UHFFFAOYSA-N 0 0 434.989 3.631 40 0 IHABRN Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)c(=O)c2c1C ZINC000012184955 526890993 /nfs/dbraw/zinc/89/09/93/526890993.db2.gz FVENAQXOAAPLTB-HNNXBMFYSA-N 0 0 442.629 3.990 40 0 IHABRN O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)NCc1ccco1 ZINC000035315090 527090065 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BQUPOJCKCRWMIK-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985474 556632233 /nfs/dbraw/zinc/63/22/33/556632233.db2.gz CLKHRYVNZRQFLQ-UHFFFAOYSA-N 0 0 445.368 3.637 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(F)cccc2F)cc1Cl ZINC000039986515 556633027 /nfs/dbraw/zinc/63/30/27/556633027.db2.gz SSTUKUUZSIEWFJ-UHFFFAOYSA-N 0 0 432.876 3.666 40 0 IHABRN CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(OC)cc4)c(COC)nn3c2C)cc1 ZINC000040372575 556635129 /nfs/dbraw/zinc/63/51/29/556635129.db2.gz NELJPIRAIIZBPR-UHFFFAOYSA-N 0 0 447.495 3.906 40 0 IHABRN CCc1nn2c(nnc3c2ccn(NC(=O)c2ccc(Cl)cc2)c3=O)c1-c1ccccc1 ZINC000040390794 556637558 /nfs/dbraw/zinc/63/75/58/556637558.db2.gz OPIMOFFLFUDXQL-UHFFFAOYSA-N 0 0 444.882 3.706 40 0 IHABRN O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1 ZINC000040396654 556639203 /nfs/dbraw/zinc/63/92/03/556639203.db2.gz XCZVRMLMGRUCHO-UHFFFAOYSA-N 0 0 433.830 3.888 40 0 IHABRN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc1 ZINC000040399266 556641795 /nfs/dbraw/zinc/64/17/95/556641795.db2.gz NSHBVYZBKWJRDV-INIZCTEOSA-N 0 0 437.887 3.794 40 0 IHABRN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc1 ZINC000040399354 556642121 /nfs/dbraw/zinc/64/21/21/556642121.db2.gz RNDFLMBHFBXZEK-INIZCTEOSA-N 0 0 437.887 3.794 40 0 IHABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC000017095336 556658836 /nfs/dbraw/zinc/65/88/36/556658836.db2.gz NJJQOFHYTVSGSZ-UHFFFAOYSA-N 0 0 427.373 3.693 40 0 IHABRN COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccc(C)cc1 ZINC000013640427 556659350 /nfs/dbraw/zinc/65/93/50/556659350.db2.gz SEAZSNYPPBLOJL-HYARGMPZSA-N 0 0 442.496 3.993 40 0 IHABRN CC(C)Oc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000044846027 556669418 /nfs/dbraw/zinc/66/94/18/556669418.db2.gz LTAFWQVPUDWZHB-UHFFFAOYSA-N 0 0 444.475 3.575 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(OC)c3)o2)cc1 ZINC000017227388 556673942 /nfs/dbraw/zinc/67/39/42/556673942.db2.gz QGAFWHYYLAIUOS-UHFFFAOYSA-N 0 0 443.481 3.565 40 0 IHABRN CN(C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)C1CCCC1 ZINC000044899664 556676467 /nfs/dbraw/zinc/67/64/67/556676467.db2.gz UVIHOTUAFURVEL-UHFFFAOYSA-N 0 0 433.401 3.936 40 0 IHABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000044899916 556676690 /nfs/dbraw/zinc/67/66/90/556676690.db2.gz ULIGBCNXJMLOBF-UHFFFAOYSA-N 0 0 432.586 3.854 40 0 IHABRN Cc1ccc(CN(C)C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000044903168 556678667 /nfs/dbraw/zinc/67/86/67/556678667.db2.gz IUQYAEHKNALJAI-HSZRJFAPSA-N 0 0 436.533 3.610 40 0 IHABRN CCOc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000044911338 556680915 /nfs/dbraw/zinc/68/09/15/556680915.db2.gz QJHUSTZUTBFRTF-HXUWFJFHSA-N 0 0 432.542 3.549 40 0 IHABRN CC[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(OC)cc1 ZINC000018131571 556684684 /nfs/dbraw/zinc/68/46/84/556684684.db2.gz HIQDEEJMZWYCGZ-KRWDZBQOSA-N 0 0 425.266 3.946 40 0 IHABRN COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1S(=O)(=O)N(C)C ZINC000018824516 556690869 /nfs/dbraw/zinc/69/08/69/556690869.db2.gz QKONHGZVCREONG-UHFFFAOYSA-N 0 0 431.539 3.630 40 0 IHABRN CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019021354 556694023 /nfs/dbraw/zinc/69/40/23/556694023.db2.gz XFYFXYKRBDXRTF-OAQYLSRUSA-N 0 0 448.502 3.611 40 0 IHABRN CC(C)(C)C(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019081587 556696415 /nfs/dbraw/zinc/69/64/15/556696415.db2.gz RISZTYDSTHNJRY-UHFFFAOYSA-N 0 0 438.543 3.927 40 0 IHABRN CC(C)(C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1)c1ccc(F)cc1 ZINC000019085042 556698826 /nfs/dbraw/zinc/69/88/26/556698826.db2.gz OQPZHKMKILCZRV-QFIPXVFZSA-N 0 0 445.538 3.983 40 0 IHABRN Cc1cc(C)n2ncc(C(=O)N[C@H](Cc3cc(=O)[nH]c(C(C)C)n3)c3ccccc3)c2n1 ZINC000019116559 556700004 /nfs/dbraw/zinc/70/00/04/556700004.db2.gz KAMAETYXUILNIW-HXUWFJFHSA-N 0 0 430.512 3.679 40 0 IHABRN CO[C@@H]1CCC[C@H](C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)C1 ZINC000019121702 556701204 /nfs/dbraw/zinc/70/12/04/556701204.db2.gz HKZVMCFSWJIHFT-PKOBYXMFSA-N 0 0 439.560 3.608 40 0 IHABRN Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)c2cccnc2)on1 ZINC000019123600 556702147 /nfs/dbraw/zinc/70/21/47/556702147.db2.gz UOLSPNSXKZJWQT-UHFFFAOYSA-N 0 0 428.496 3.744 40 0 IHABRN Cc1cc2c(cc1C(=O)c1cccs1)N(CC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)CO2 ZINC000019124981 556702750 /nfs/dbraw/zinc/70/27/50/556702750.db2.gz DGCWCJSLCSLHDZ-WMLDXEAASA-N 0 0 426.538 3.708 40 0 IHABRN COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCCn3ccnc3)CCCO2)cc1 ZINC000257216786 556702977 /nfs/dbraw/zinc/70/29/77/556702977.db2.gz CWAXMHJATPYXBL-RUZDIDTESA-N 0 0 437.515 3.996 40 0 IHABRN Cc1nc2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3-c3ccccc3)ccc2n1C ZINC000257344113 556704164 /nfs/dbraw/zinc/70/41/64/556704164.db2.gz ZVUCCARPABHFCL-VWLOTQADSA-N 0 0 438.531 3.732 40 0 IHABRN CNc1cc(C2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)nc(-c2cccnc2)n1 ZINC000019134429 556705343 /nfs/dbraw/zinc/70/53/43/556705343.db2.gz ZYYNJRSCIDVCQU-UHFFFAOYSA-N 0 0 441.532 3.596 40 0 IHABRN CCN1CCN(C(=O)c2cnc(C)nc2C)[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257242283 556710309 /nfs/dbraw/zinc/71/03/09/556710309.db2.gz IBTWIPOSBFCPPB-DEOSSOPVSA-N 0 0 428.536 3.676 40 0 IHABRN CN(CCC(=O)N1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1)c1cccc(F)c1 ZINC000257252943 556711694 /nfs/dbraw/zinc/71/16/94/556711694.db2.gz JWVUNPVDMXIANH-QHCPKHFHSA-N 0 0 438.478 3.848 40 0 IHABRN Cc1cnn(CCC(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2ccc(C)cn2)c1 ZINC000019216174 556711936 /nfs/dbraw/zinc/71/19/36/556711936.db2.gz JKZKHXXOHIRLHE-UHFFFAOYSA-N 0 0 432.503 3.771 40 0 IHABRN Cc1ccnn1CCC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1ccc(C)cn1 ZINC000019216171 556711957 /nfs/dbraw/zinc/71/19/57/556711957.db2.gz NFPHXWIYEMRDHF-UHFFFAOYSA-N 0 0 432.503 3.771 40 0 IHABRN CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(C(=O)C1(c3ccccc3)CCOCC1)CC2 ZINC000257271169 556713780 /nfs/dbraw/zinc/71/37/80/556713780.db2.gz MXDDNFODBRTAOC-XMMPIXPASA-N 0 0 446.591 3.817 40 0 IHABRN CSCC[C@H](NC(=O)c1cc2cc(C)ccc2n1C)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019221229 556715457 /nfs/dbraw/zinc/71/54/57/556715457.db2.gz FFWZURJLIGDYFO-KRWDZBQOSA-N 0 0 447.564 3.856 40 0 IHABRN COc1cccc(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3cccc(F)c3)c2)c1OC ZINC000257295808 556716662 /nfs/dbraw/zinc/71/66/62/556716662.db2.gz QZYUNJDXLZOYSH-QFIPXVFZSA-N 0 0 448.494 3.693 40 0 IHABRN Cc1cccc(CC(=O)N2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2C)c1 ZINC000019234706 556719052 /nfs/dbraw/zinc/71/90/52/556719052.db2.gz YFMCQAMURLXTMF-JOCHJYFZSA-N 0 0 430.556 3.692 40 0 IHABRN Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2Cc2cnc(N(C)C)nc2)c1 ZINC000019235333 556719646 /nfs/dbraw/zinc/71/96/46/556719646.db2.gz IFLBIWAAYJBUQL-SIKLNZKXSA-N 0 0 425.540 3.823 40 0 IHABRN COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1Cl ZINC000260453410 556720380 /nfs/dbraw/zinc/72/03/80/556720380.db2.gz OTXGNSSQQGICDV-HZPDHXFCSA-N 0 0 438.977 3.997 40 0 IHABRN COc1cccc([C@@H]2CN(C(=O)COc3c(C)cccc3C)C[C@]23CCCCC(=O)N3)c1 ZINC000019236067 556720803 /nfs/dbraw/zinc/72/08/03/556720803.db2.gz WJAXYCZWALJVGA-BKMJKUGQSA-N 0 0 436.552 3.746 40 0 IHABRN Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCO[C@@H](c2nc(-c3ccccc3C)no2)C1 ZINC000019237490 556722413 /nfs/dbraw/zinc/72/24/13/556722413.db2.gz RWEMHXLUQSTVGN-MRXNPFEDSA-N 0 0 449.433 3.559 40 0 IHABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccnc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013751693 556726077 /nfs/dbraw/zinc/72/60/77/556726077.db2.gz CGDNNSCPXPIDBQ-VJBWXMMDSA-N 0 0 429.476 3.922 40 0 IHABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CC2(O)CCCCC2)cc(N(C)C)n1 ZINC000019240845 556726264 /nfs/dbraw/zinc/72/62/64/556726264.db2.gz ZLGWVIMENIMGNP-NRFANRHFSA-N 0 0 435.572 3.818 40 0 IHABRN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccc(F)cc2)cc(N(C)C)n1 ZINC000019240861 556726615 /nfs/dbraw/zinc/72/66/15/556726615.db2.gz KFOFOVOCECCLTQ-JOCHJYFZSA-N 0 0 447.514 3.950 40 0 IHABRN COc1ccc(CC(=O)NCc2cnc(C)nc2-c2cn(C)c3ccccc23)cc1OC ZINC000019287160 556728298 /nfs/dbraw/zinc/72/82/98/556728298.db2.gz ROSQEWVIQXOIGO-UHFFFAOYSA-N 0 0 430.508 3.820 40 0 IHABRN COc1ccc(C2(NC(=O)Cn3nc(C)n4c(cc5ccsc54)c3=O)CCCC2)cc1 ZINC000019288302 556728547 /nfs/dbraw/zinc/72/85/47/556728547.db2.gz XFTPFILLDYWORQ-UHFFFAOYSA-N 0 0 436.537 3.613 40 0 IHABRN COc1cc(C(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc(OC)c1OC ZINC000019290071 556729863 /nfs/dbraw/zinc/72/98/63/556729863.db2.gz AIRPRGRCTCNMOY-IBGZPJMESA-N 0 0 436.512 3.875 40 0 IHABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000019290138 556730148 /nfs/dbraw/zinc/73/01/48/556730148.db2.gz QJZCWMBZGDPNLU-NRFANRHFSA-N 0 0 444.583 3.816 40 0 IHABRN Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)[C@H]1OCCc2ccccc21 ZINC000019291747 556731363 /nfs/dbraw/zinc/73/13/63/556731363.db2.gz VDMWBENRIPZWBK-QHCPKHFHSA-N 0 0 445.498 3.520 40 0 IHABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1 ZINC000000880323 556732000 /nfs/dbraw/zinc/73/20/00/556732000.db2.gz 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430.512 3.902 40 0 IHABRN Cc1nc([C@@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000072378137 556956706 /nfs/dbraw/zinc/95/67/06/556956706.db2.gz LMFNOTGNDFMNRM-NRFANRHFSA-N 0 0 445.498 3.776 40 0 IHABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O ZINC000409103404 556956801 /nfs/dbraw/zinc/95/68/01/556956801.db2.gz WKNZZIBMMKIHJP-HGLKBHAMSA-N 0 0 435.299 3.838 40 0 IHABRN O=C(NCc1ccccc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007640 556958680 /nfs/dbraw/zinc/95/86/80/556958680.db2.gz RZHOUOPIFUWEGB-NRFANRHFSA-N 0 0 446.931 3.685 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)CCc2ccccc2)CCO1 ZINC000072389224 556959476 /nfs/dbraw/zinc/95/94/76/556959476.db2.gz WHKIICHXJIUFJX-AREMUKBSSA-N 0 0 448.588 3.934 40 0 IHABRN COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072390994 556961317 /nfs/dbraw/zinc/96/13/17/556961317.db2.gz SJBNYZBQWCYEPC-QFIPXVFZSA-N 0 0 444.531 3.802 40 0 IHABRN 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556964608 /nfs/dbraw/zinc/96/46/08/556964608.db2.gz IZGSXASCIFGPSD-UHFFFAOYSA-N 0 0 448.447 3.792 40 0 IHABRN CCOCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000409124868 556964746 /nfs/dbraw/zinc/96/47/46/556964746.db2.gz LBXWVAKTVBYMPS-UHFFFAOYSA-N 0 0 445.368 3.732 40 0 IHABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)c1 ZINC000020021049 556964842 /nfs/dbraw/zinc/96/48/42/556964842.db2.gz RNIZCXYTGKGIOO-UHFFFAOYSA-N 0 0 444.484 3.961 40 0 IHABRN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(F)ccc1F ZINC000020021938 556965319 /nfs/dbraw/zinc/96/53/19/556965319.db2.gz MZVZVYUVWNVDBB-UHFFFAOYSA-N 0 0 446.475 3.769 40 0 IHABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F ZINC000020022074 556965349 /nfs/dbraw/zinc/96/53/49/556965349.db2.gz YUKWRPFCJYOFLP-UHFFFAOYSA-N 0 0 442.459 3.604 40 0 IHABRN CCc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(C)cc3)n2C)cc1 ZINC000409126849 556965590 /nfs/dbraw/zinc/96/55/90/556965590.db2.gz HXXGLSXTVIGYPZ-MRXNPFEDSA-N 0 0 437.569 3.908 40 0 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CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2C(C)C)cc1 ZINC000020176739 556995440 /nfs/dbraw/zinc/99/54/40/556995440.db2.gz VKQSAXOHJQICAU-FQEVSTJZSA-N 0 0 441.553 3.833 40 0 IHABRN COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc4c(c3)OCO4)C(=O)O2)c1 ZINC000409189481 556995732 /nfs/dbraw/zinc/99/57/32/556995732.db2.gz PKVFORWEIVYPSB-UNOMPAQXSA-N 0 0 443.411 3.988 40 0 IHABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000409199588 556998796 /nfs/dbraw/zinc/99/87/96/556998796.db2.gz HVBIABCFLGZZQL-LJQANCHMSA-N 0 0 444.597 3.624 40 0 IHABRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O ZINC000409202284 557001299 /nfs/dbraw/zinc/00/12/99/557001299.db2.gz QQHWTGCLWUZJEM-ODLFYWEKSA-N 0 0 442.493 3.696 40 0 IHABRN O=C(CCOc1cccc(F)c1)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 ZINC000257319015 557004387 /nfs/dbraw/zinc/00/43/87/557004387.db2.gz VQIOVHREADOLGV-WKILWMFISA-N 0 0 425.464 3.525 40 0 IHABRN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2c(OC)cccc12 ZINC000409212855 557007303 /nfs/dbraw/zinc/00/73/03/557007303.db2.gz RCZAQEOXALQYDQ-UYRXBGFRSA-N 0 0 440.521 3.906 40 0 IHABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000409224751 557013422 /nfs/dbraw/zinc/01/34/22/557013422.db2.gz LPKBGHNDEIWLNO-LZYBPNLTSA-N 0 0 448.859 3.941 40 0 IHABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Br)s2)C1=O ZINC000409235747 557026410 /nfs/dbraw/zinc/02/64/10/557026410.db2.gz QFKJOXSVLFMCGL-NTEUORMPSA-N 0 0 434.315 3.604 40 0 IHABRN CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409250817 557031223 /nfs/dbraw/zinc/03/12/23/557031223.db2.gz SIHOLRGEOHXLSA-UHFFFAOYSA-N 0 0 428.554 3.727 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccccc2)cc1C ZINC000022377985 557033647 /nfs/dbraw/zinc/03/36/47/557033647.db2.gz RXWIYRCFMTZDFK-UHFFFAOYSA-N 0 0 438.549 3.858 40 0 IHABRN O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCN3c3ccc4nccnc4c3)C2)cc1)C1CC1 ZINC000585101721 557034678 /nfs/dbraw/zinc/03/46/78/557034678.db2.gz BLXFOOBHCGBQAE-SANMLTNESA-N 0 0 441.535 3.863 40 0 IHABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cccc(OC)c2)cc1 ZINC000022528534 557035809 /nfs/dbraw/zinc/03/58/09/557035809.db2.gz LNXLLTQMKJAXKD-UHFFFAOYSA-N 0 0 449.532 3.988 40 0 IHABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O ZINC000409253221 557037596 /nfs/dbraw/zinc/03/75/96/557037596.db2.gz ZCJHAKFWHRBJMH-PXLXIMEGSA-N 0 0 444.491 3.580 40 0 IHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2cccc(Cl)c2)cc1 ZINC000409266658 557039256 /nfs/dbraw/zinc/03/92/56/557039256.db2.gz QSGFDJJIRQSKQK-UHFFFAOYSA-N 0 0 438.977 3.775 40 0 IHABRN CCc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)cc1 ZINC000409345144 557071901 /nfs/dbraw/zinc/07/19/01/557071901.db2.gz KLBCQLFYPMIMDI-INIZCTEOSA-N 0 0 437.569 3.908 40 0 IHABRN Cc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)c1C ZINC000409348441 557076452 /nfs/dbraw/zinc/07/64/52/557076452.db2.gz SRTSGRUMTZLTRF-KRWDZBQOSA-N 0 0 437.569 3.962 40 0 IHABRN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)c1 ZINC000020528487 557078128 /nfs/dbraw/zinc/07/81/28/557078128.db2.gz NMNNSEQURJNDRB-UHFFFAOYSA-N 0 0 435.446 3.937 40 0 IHABRN CCN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)C1=O ZINC000409352272 557079643 /nfs/dbraw/zinc/07/96/43/557079643.db2.gz UWXMDRQQQRAUDU-UNOMPAQXSA-N 0 0 442.493 3.778 40 0 IHABRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OC(F)F ZINC000409364560 557083614 /nfs/dbraw/zinc/08/36/14/557083614.db2.gz YLWREBZCZVTIBA-YBEGLDIGSA-N 0 0 440.468 3.591 40 0 IHABRN CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000409357540 557084790 /nfs/dbraw/zinc/08/47/90/557084790.db2.gz ITRSVUZMVNSZKP-UHFFFAOYSA-N 0 0 436.961 3.950 40 0 IHABRN O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000409370678 557089321 /nfs/dbraw/zinc/08/93/21/557089321.db2.gz AEUHWTJLYKOQDR-UHFFFAOYSA-N 0 0 428.069 3.924 40 0 IHABRN O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1cccc(Cl)c1Cl ZINC000409371442 557089760 /nfs/dbraw/zinc/08/97/60/557089760.db2.gz JHOGHVYRTAUJKO-UHFFFAOYSA-N 0 0 428.069 3.924 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000409393785 557097809 /nfs/dbraw/zinc/09/78/09/557097809.db2.gz YBUGHASZTAQDOY-UHFFFAOYSA-N 0 0 447.315 3.935 40 0 IHABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(OC)c1OC ZINC000409408692 557108003 /nfs/dbraw/zinc/10/80/03/557108003.db2.gz KTHDHDCGKGTBGB-ACCUITESSA-N 0 0 436.464 3.887 40 0 IHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000409409015 557108229 /nfs/dbraw/zinc/10/82/29/557108229.db2.gz FTKNAQWNRFTIDE-MSOLQXFVSA-N 0 0 445.585 3.625 40 0 IHABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2OC)n1C ZINC000101189425 557121970 /nfs/dbraw/zinc/12/19/70/557121970.db2.gz ZVKDETLJCCPESG-UHFFFAOYSA-N 0 0 448.932 3.796 40 0 IHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1cccs1 ZINC000000631615 557123161 /nfs/dbraw/zinc/12/31/61/557123161.db2.gz TVELGFXONBTXQH-MYNYIMKUSA-N 0 0 436.558 3.525 40 0 IHABRN O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000020612005 557125596 /nfs/dbraw/zinc/12/55/96/557125596.db2.gz HCLLLCHUUYRCQX-UHFFFAOYSA-N 0 0 425.960 3.537 40 0 IHABRN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Br)c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000102683380 557130783 /nfs/dbraw/zinc/13/07/83/557130783.db2.gz OQJKGILEFIBHHE-KZNAEPCWSA-N 0 0 446.732 3.638 40 0 IHABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102684300 557131375 /nfs/dbraw/zinc/13/13/75/557131375.db2.gz HTXFPJPGGJPTLZ-CEXWTWQISA-N 0 0 432.307 3.538 40 0 IHABRN CCN1CCN(C(=O)c2cccc(N(C)C)c2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000585169025 557131704 /nfs/dbraw/zinc/13/17/04/557131704.db2.gz OYOFPGUHPOWGJO-RUZDIDTESA-N 0 0 442.563 3.730 40 0 IHABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccccc1)N2 ZINC000102767087 557132652 /nfs/dbraw/zinc/13/26/52/557132652.db2.gz LJUIHPXVUYBPKS-BURNTYAHSA-N 0 0 425.492 3.880 40 0 IHABRN C[C@]12CC[C@@H]3c4ccc(Oc5nc(N6CC6)nc(N6CC6)n5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000090649733 557136140 /nfs/dbraw/zinc/13/61/40/557136140.db2.gz JCBUOSRYPMXDEE-LWIATZKVSA-N 0 0 431.540 3.729 40 0 IHABRN Cc1nnc2c3ccccc3c(-c3cccc(S(=O)(=O)NCc4ccccc4)c3)nn12 ZINC000103239440 557137533 /nfs/dbraw/zinc/13/75/33/557137533.db2.gz VQRKFYUTZAQTRF-UHFFFAOYSA-N 0 0 429.505 3.731 40 0 IHABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000302769333 557142944 /nfs/dbraw/zinc/14/29/44/557142944.db2.gz YFCYQTJOTOWZMJ-JOCHJYFZSA-N 0 0 441.531 3.912 40 0 IHABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 ZINC000216427411 557146020 /nfs/dbraw/zinc/14/60/20/557146020.db2.gz NFIISCFEYWVQAX-DLBZAZTESA-N 0 0 434.558 3.516 40 0 IHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCC(C)CC3)cc2c1 ZINC000006149490 557146322 /nfs/dbraw/zinc/14/63/22/557146322.db2.gz XCAVRGRPYAWQSC-NRFANRHFSA-N 0 0 438.576 3.880 40 0 IHABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3c(OC)ccc4ccccc43)N2N1 ZINC000588226762 557153756 /nfs/dbraw/zinc/15/37/56/557153756.db2.gz ZWEXZPJTTGFNPY-HSZRJFAPSA-N 0 0 444.560 3.525 40 0 IHABRN CCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3c(OCC)ccc4ccccc43)N2N1 ZINC000588228191 557155071 /nfs/dbraw/zinc/15/50/71/557155071.db2.gz FEUSDPOCBUWXKV-HSZRJFAPSA-N 0 0 444.560 3.525 40 0 IHABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccc(Cl)c3Cl)N2N1 ZINC000588228464 557155406 /nfs/dbraw/zinc/15/54/06/557155406.db2.gz YITBLVRDVAEKTK-SFHVURJKSA-N 0 0 433.364 3.670 40 0 IHABRN Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCCN5CCOCC5)cc43)co2)cc1 ZINC000096037819 557165344 /nfs/dbraw/zinc/16/53/44/557165344.db2.gz RGALNBHXPLYFPY-UHFFFAOYSA-N 0 0 446.507 3.910 40 0 IHABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1C ZINC000107307558 557166703 /nfs/dbraw/zinc/16/67/03/557166703.db2.gz WFQLLZDWGSPLLX-HNNXBMFYSA-N 0 0 445.313 3.601 40 0 IHABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc1 ZINC000007389795 557167105 /nfs/dbraw/zinc/16/71/05/557167105.db2.gz DEDSZPBJMDKGHV-KRWDZBQOSA-N 0 0 426.513 3.841 40 0 IHABRN O=C(Nc1ccccc1Cl)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 ZINC000096145354 557174687 /nfs/dbraw/zinc/17/46/87/557174687.db2.gz LWSOFGBPKXMBHR-YLJYHZDGSA-N 0 0 433.961 3.798 40 0 IHABRN CCc1ccc(NC(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)cc1 ZINC000096145724 557175413 /nfs/dbraw/zinc/17/54/13/557175413.db2.gz VSDPYYSQSPMUOC-PMACEKPBSA-N 0 0 443.569 3.717 40 0 IHABRN O=S1(=O)c2ccccc2O[C@H]2CCN(Cc3ccccn3)CC[C@@H]2N1Cc1ccccc1 ZINC000096145858 557175610 /nfs/dbraw/zinc/17/56/10/557175610.db2.gz SNTYVNQBDGEFDZ-GOTSBHOMSA-N 0 0 449.576 3.698 40 0 IHABRN CCOc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000022112115 557179704 /nfs/dbraw/zinc/17/97/04/557179704.db2.gz SRYVLIGWBWGWEV-UHFFFAOYSA-N 0 0 436.285 3.702 40 0 IHABRN CCC(CC)C(=O)N1CCC2(C[C@H](CC(=O)N3CCN(C)CC3)c3ccccc32)CC1 ZINC000096242281 557186384 /nfs/dbraw/zinc/18/63/84/557186384.db2.gz YNBXDJHOOZZYBP-NRFANRHFSA-N 0 0 425.617 3.634 40 0 IHABRN CCCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc1O2 ZINC000096243173 557186969 /nfs/dbraw/zinc/18/69/69/557186969.db2.gz XPVHKNNPIFKUPU-SFHVURJKSA-N 0 0 434.602 3.576 40 0 IHABRN CC(C)(C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000022274285 557188126 /nfs/dbraw/zinc/18/81/26/557188126.db2.gz HNGCUOVLXHUPNP-UHFFFAOYSA-N 0 0 425.348 3.559 40 0 IHABRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000022274348 557188433 /nfs/dbraw/zinc/18/84/33/557188433.db2.gz GHAQRPOOTRPSQE-UHFFFAOYSA-N 0 0 437.359 3.657 40 0 IHABRN COc1ccc(CN2[C@]3(CCN(C(=O)c4ccccc4)C3)c3ccccc3S2(=O)=O)cc1 ZINC000096261975 557189748 /nfs/dbraw/zinc/18/97/48/557189748.db2.gz NRZUBSHZKDHQNX-VWLOTQADSA-N 0 0 448.544 3.641 40 0 IHABRN CCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022278138 557191401 /nfs/dbraw/zinc/19/14/01/557191401.db2.gz ASEYGHAWQSPCIP-UHFFFAOYSA-N 0 0 434.867 3.999 40 0 IHABRN CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H](Cc2cccc3nccn32)CC1 ZINC000585261731 557196376 /nfs/dbraw/zinc/19/63/76/557196376.db2.gz AZDPZZGYHGEEEY-NRFANRHFSA-N 0 0 432.568 3.643 40 0 IHABRN Cc1c(C(=O)N2CCCC[C@H]2CCNC(=O)c2ccccc2)cccc1N1CCOCC1 ZINC000585261919 557197678 /nfs/dbraw/zinc/19/76/78/557197678.db2.gz UFTZLPVBSUIDRJ-QFIPXVFZSA-N 0 0 435.568 3.646 40 0 IHABRN CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@H](Cc2cccc3cccnc32)C1 ZINC000585262101 557200699 /nfs/dbraw/zinc/20/06/99/557200699.db2.gz ZYHRXXXRQNKJDU-GOSISDBHSA-N 0 0 449.526 3.600 40 0 IHABRN Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000010110465 557203803 /nfs/dbraw/zinc/20/38/03/557203803.db2.gz CWRNLGJEHOEGIP-UHFFFAOYSA-N 0 0 429.369 3.817 40 0 IHABRN Cc1cccc(C)c1OCC(=O)N1CCC2(CO[C@H]([C@@]3(C)CC[C@@H](C(C)(C)O)O3)C2)CC1 ZINC000585263542 557204026 /nfs/dbraw/zinc/20/40/26/557204026.db2.gz APVWFGINKLGFON-STWLZBDKSA-N 0 0 445.600 3.789 40 0 IHABRN Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1NS(C)(=O)=O ZINC000010314351 557215826 /nfs/dbraw/zinc/21/58/26/557215826.db2.gz JWGFBUHHNIUMHH-UHFFFAOYSA-N 0 0 437.521 3.549 40 0 IHABRN 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557460423 /nfs/dbraw/zinc/46/04/23/557460423.db2.gz IODUOSQHZMSHCO-UHFFFAOYSA-N 0 0 436.946 3.572 40 0 IHABRN COc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000015398164 557461594 /nfs/dbraw/zinc/46/15/94/557461594.db2.gz RPFCUOAOBBYARB-UHFFFAOYSA-N 0 0 440.521 3.846 40 0 IHABRN O=C(NCc1ccccc1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000015935676 557467145 /nfs/dbraw/zinc/46/71/45/557467145.db2.gz SKKXQZPYRNYLTO-NRFANRHFSA-N 0 0 429.505 3.638 40 0 IHABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223405022 557467334 /nfs/dbraw/zinc/46/73/34/557467334.db2.gz OGXTXNSDJVYCNZ-FQEVSTJZSA-N 0 0 432.948 3.898 40 0 IHABRN O=C(NCc1ccccc1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000015936173 557467551 /nfs/dbraw/zinc/46/75/51/557467551.db2.gz YVDXTSAURBFBPN-OAQYLSRUSA-N 0 0 447.495 3.777 40 0 IHABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223405220 557467556 /nfs/dbraw/zinc/46/75/56/557467556.db2.gz YDWUANCBDHCPLX-JOCHJYFZSA-N 0 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3.692 40 0 IHABRN Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000033721779 569246091 /nfs/dbraw/zinc/24/60/91/569246091.db2.gz XGDSMIYKCQUNJD-DHZHZOJOSA-N 0 0 443.916 3.999 40 0 IHABRN COC(=O)c1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)cc1 ZINC000034805557 569247620 /nfs/dbraw/zinc/24/76/20/569247620.db2.gz ANGLJGCPXODWJW-UHFFFAOYSA-N 0 0 440.525 3.528 40 0 IHABRN CCc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C ZINC000035169476 569248387 /nfs/dbraw/zinc/24/83/87/569248387.db2.gz KNRYNCJCQUHUKA-AWEZNQCLSA-N 0 0 441.532 3.738 40 0 IHABRN C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000035214819 569248569 /nfs/dbraw/zinc/24/85/69/569248569.db2.gz YXOPJCJYYAEROW-CYBMUJFWSA-N 0 0 435.981 3.501 40 0 IHABRN Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccccc3)C(C(N)=O)=C(C)N2)cc1Cl ZINC000035400857 569248651 /nfs/dbraw/zinc/24/86/51/569248651.db2.gz GZNDPVDYCAHUIC-IBGZPJMESA-N 0 0 428.945 3.780 40 0 IHABRN COc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)cc1 ZINC000038171032 569248741 /nfs/dbraw/zinc/24/87/41/569248741.db2.gz CSICKHZPCVTDBS-UHFFFAOYSA-N 0 0 449.330 3.690 40 0 IHABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000044905959 569249436 /nfs/dbraw/zinc/24/94/36/569249436.db2.gz LVVSFIPKAZELRX-MGPUTAFESA-N 0 0 436.961 3.751 40 0 IHABRN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O ZINC000096589745 569250175 /nfs/dbraw/zinc/25/01/75/569250175.db2.gz XVORCDLWUKIMGR-UKRRQHHQSA-N 0 0 434.277 3.839 40 0 IHABRN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl ZINC000107703937 569251000 /nfs/dbraw/zinc/25/10/00/569251000.db2.gz TZFARYHRMLIKGC-KPENOIPVSA-N 0 0 432.860 3.990 40 0 IHABRN Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)c(C)c1 ZINC000107927935 569251602 /nfs/dbraw/zinc/25/16/02/569251602.db2.gz CBZLWIVXKSBROZ-UHFFFAOYSA-N 0 0 443.960 3.746 40 0 IHABRN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3Cl)n2C)cc1 ZINC000107930959 569251796 /nfs/dbraw/zinc/25/17/96/569251796.db2.gz FDSAMZFVUCTWBL-CQSZACIVSA-N 0 0 443.960 3.999 40 0 IHABRN COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000108169985 569252588 /nfs/dbraw/zinc/25/25/88/569252588.db2.gz PRWVCWDHESXABF-CXUHLZMHSA-N 0 0 435.263 3.638 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2CC)cc1 ZINC000138802982 569254249 /nfs/dbraw/zinc/25/42/49/569254249.db2.gz JYDCAIOZMDQCQC-UHFFFAOYSA-N 0 0 440.496 3.716 40 0 IHABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000140692538 569254957 /nfs/dbraw/zinc/25/49/57/569254957.db2.gz DDHVVPXLSWKWHR-UHFFFAOYSA-N 0 0 438.505 3.676 40 0 IHABRN CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OCC)C1=O ZINC000205693930 569255501 /nfs/dbraw/zinc/25/55/01/569255501.db2.gz KLYXNRZOHVDSKY-NTEUORMPSA-N 0 0 428.304 3.837 40 0 IHABRN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253499114 569283262 /nfs/dbraw/zinc/28/32/62/569283262.db2.gz PBLXVDNSLUFVHF-DEVWZVMUSA-N 0 0 446.628 3.944 40 0 biogenic IHABRN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253499120 569283265 /nfs/dbraw/zinc/28/32/65/569283265.db2.gz PBLXVDNSLUFVHF-RHMNLNENSA-N 0 0 446.628 3.944 40 0 biogenic IHABRN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018066485 569284662 /nfs/dbraw/zinc/28/46/62/569284662.db2.gz IZFKBBWLZQVYJB-VJBWXMMDSA-N 0 0 445.450 3.835 40 0 IHABRN COc1cc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000018182987 569286270 /nfs/dbraw/zinc/28/62/70/569286270.db2.gz QVKLBFGOEMTFQC-VABKMULXSA-N 0 0 430.460 3.760 40 0 IHABRN COC[C@]1(C(N)=S)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515955 569288127 /nfs/dbraw/zinc/28/81/27/569288127.db2.gz OXOAOMWXKDCWAE-JZXOWHBKSA-N 0 0 430.378 3.852 40 0 IHABRN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(C)=O)N1C=Cc3ccccc3[C@@H]21 ZINC000009348897 569295738 /nfs/dbraw/zinc/29/57/38/569295738.db2.gz ZXOODZDVQKLXTF-YSFYHYPLSA-N 0 0 436.895 3.761 40 0 IHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261362463 569315544 /nfs/dbraw/zinc/31/55/44/569315544.db2.gz DDMNMHNFFWSAAV-INIZCTEOSA-O 0 0 432.323 3.689 40 0 IHABRN COc1ccccc1CNC(=O)c1cncnc1CC1CCN(C(=O)c2ccccc2)CC1 ZINC000019757285 569328707 /nfs/dbraw/zinc/32/87/07/569328707.db2.gz PRZBVKDLYHSGPP-UHFFFAOYSA-N 0 0 444.535 3.510 40 0 IHABRN CNC(=O)c1cc([C@H]2CN(Cc3ccc4cccc(OC)c4n3)CCO2)nc2ccccc21 ZINC000019759607 569328764 /nfs/dbraw/zinc/32/87/64/569328764.db2.gz NLFTYRKDAQUKBF-XMMPIXPASA-N 0 0 442.519 3.725 40 0 IHABRN CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000096519955 569401013 /nfs/dbraw/zinc/40/10/13/569401013.db2.gz IVOTWODWVCBROL-CABCVRRESA-N 0 0 436.698 3.759 40 0 IHABRN CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000096519957 569401072 /nfs/dbraw/zinc/40/10/72/569401072.db2.gz IVOTWODWVCBROL-HUUCEWRRSA-N 0 0 436.698 3.759 40 0 IHABRN CCN(C(=O)CN1C(=O)c2ccccc2C1=O)C1(C(=O)Nc2c(C)cccc2C)CCCC1 ZINC000003146995 569440941 /nfs/dbraw/zinc/44/09/41/569440941.db2.gz DVBRYKGSZSGEOG-UHFFFAOYSA-N 0 0 447.535 3.699 40 0 IHABRN Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000008828135 569477794 /nfs/dbraw/zinc/47/77/94/569477794.db2.gz UMELROWOHBTGJL-LJQANCHMSA-N 0 0 445.928 3.699 40 0 IHABRN CC(C)[C@@H](CO)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329004784 569583268 /nfs/dbraw/zinc/58/32/68/569583268.db2.gz KTMWZEJDALMCIH-LJQANCHMSA-N 0 0 447.461 4.478 40 0 IHABRN CCOc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000035291375 123016894 /nfs/dbraw/zinc/01/68/94/123016894.db2.gz FMTLAURJUYWTHV-HSZRJFAPSA-N 0 0 434.588 3.734 40 0 IHABRN CC(C)(C)CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1 ZINC000067896601 291364750 /nfs/dbraw/zinc/36/47/50/291364750.db2.gz PIHKNSBMXSLVNL-RCZVLFRGSA-N 0 0 438.568 3.955 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1)C1CC1 ZINC000067896803 291375368 /nfs/dbraw/zinc/37/53/68/291375368.db2.gz IXGZOUOEOMGKJJ-TZIWHRDSSA-N 0 0 448.441 3.515 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1)c1cccs1 ZINC000067896581 291375370 /nfs/dbraw/zinc/37/53/70/291375370.db2.gz ZXQVSSNZQWTEII-DENIHFKCSA-N 0 0 440.496 3.601 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1)c1ccccc1 ZINC000004236327 291375448 /nfs/dbraw/zinc/37/54/48/291375448.db2.gz ASTHXYYAGSNBHD-PKOBYXMFSA-N 0 0 434.540 3.562 40 0 biogenic,in-vitro IHABRN O=C(c1cnccn1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(/C=C/c3ccc(Cl)cc3)ccc12 ZINC000004237254 291376257 /nfs/dbraw/zinc/37/62/57/291376257.db2.gz XEVSLQCHPGSBBK-LOXCNFCFSA-N 0 0 432.911 3.722 40 0 biogenic,in-vitro IHABRN NC(=O)c1cc([C@H]2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)nc2ccccc21 ZINC000019759539 193911917 /nfs/dbraw/zinc/91/19/17/193911917.db2.gz ZQBLWHMOTPKNHD-HSZRJFAPSA-N 0 0 447.510 3.885 40 0 IHABRN O=C(C[C@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21)NC1CC1 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Cc1c(Cl)cccc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O ZINC000408612634 555977701 /nfs/dbraw/zinc/97/77/01/555977701.db2.gz TWKUOOXILRVBFN-UHFFFAOYSA-N 0 0 445.766 3.811 40 0 IHABRN COc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408609249 555979523 /nfs/dbraw/zinc/97/95/23/555979523.db2.gz MPCODEWBKMTVME-MRXNPFEDSA-N 0 0 432.542 3.712 40 0 IHABRN CC(=O)Nc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408614157 555984703 /nfs/dbraw/zinc/98/47/03/555984703.db2.gz ZCPKNIRLDCWGKG-UHFFFAOYSA-N 0 0 443.569 3.916 40 0 IHABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408616164 555987018 /nfs/dbraw/zinc/98/70/18/555987018.db2.gz WQSCFKDVIGCOJR-JOCHJYFZSA-N 0 0 441.531 3.912 40 0 IHABRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000408642161 556017936 /nfs/dbraw/zinc/01/79/36/556017936.db2.gz DQLJYJPKHXOSNZ-AZOIQLNYSA-N 0 0 442.924 3.839 40 0 IHABRN CCCc1nnc(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)n1CC ZINC000408637499 556020798 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434.492 3.614 40 0 IHABRN COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000408644535 556024514 /nfs/dbraw/zinc/02/45/14/556024514.db2.gz GLSXAPQECSDIMG-UHFFFAOYSA-N 0 0 446.459 3.680 40 0 IHABRN CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000408644186 556024564 /nfs/dbraw/zinc/02/45/64/556024564.db2.gz DYJYWFRRHXNCTQ-OAHLLOKOSA-N 0 0 445.313 3.546 40 0 IHABRN CCc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000408644831 556025142 /nfs/dbraw/zinc/02/51/42/556025142.db2.gz IITSYPQRYGKZDI-UHFFFAOYSA-N 0 0 425.506 3.748 40 0 IHABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000408652291 556032668 /nfs/dbraw/zinc/03/26/68/556032668.db2.gz CDZXPLTUELHANO-UHFFFAOYSA-N 0 0 442.899 3.987 40 0 IHABRN Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 ZINC000408657820 556038935 /nfs/dbraw/zinc/03/89/35/556038935.db2.gz PKHMSQBDFOLCKV-OAHLLOKOSA-N 0 0 434.414 3.857 40 0 IHABRN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408659879 556039918 /nfs/dbraw/zinc/03/99/18/556039918.db2.gz KEWVCHOONUXJRN-UHFFFAOYSA-N 0 0 425.268 3.903 40 0 IHABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000408660335 556040408 /nfs/dbraw/zinc/04/04/08/556040408.db2.gz NTSOYMOVOXEQBE-SFTDATJTSA-N 0 0 432.476 3.555 40 0 IHABRN COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408660645 556040662 /nfs/dbraw/zinc/04/06/62/556040662.db2.gz BOCRCCJDDZRZOH-UHFFFAOYSA-N 0 0 425.268 3.903 40 0 IHABRN CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000408662428 556040999 /nfs/dbraw/zinc/04/09/99/556040999.db2.gz IECQOZRMZXWLCT-UHFFFAOYSA-N 0 0 426.469 3.579 40 0 IHABRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(C(C)=O)c1 ZINC000408661663 556042388 /nfs/dbraw/zinc/04/23/88/556042388.db2.gz GNUVWWZGMBUBND-UHFFFAOYSA-N 0 0 446.887 3.842 40 0 IHABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 ZINC000408664018 556048000 /nfs/dbraw/zinc/04/80/00/556048000.db2.gz YOBWNDWBGJIPOR-CYBMUJFWSA-N 0 0 436.689 3.882 40 0 IHABRN Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000408664723 556052651 /nfs/dbraw/zinc/05/26/51/556052651.db2.gz DJFLLXLIYRQSQU-OAHLLOKOSA-N 0 0 434.414 3.857 40 0 IHABRN Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000408664849 556053010 /nfs/dbraw/zinc/05/30/10/556053010.db2.gz KVJABRXJRUWFER-UHFFFAOYSA-N 0 0 440.496 3.851 40 0 IHABRN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408668156 556053222 /nfs/dbraw/zinc/05/32/22/556053222.db2.gz UYZBJDZIYZJVKZ-BGYRXZFFSA-N 0 0 432.476 3.555 40 0 IHABRN CCCC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000408668489 556053962 /nfs/dbraw/zinc/05/39/62/556053962.db2.gz UXBOKQRWIDNDNK-GOSISDBHSA-N 0 0 428.872 3.677 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000408667367 556055921 /nfs/dbraw/zinc/05/59/21/556055921.db2.gz QMBSAFNABDCMFM-UHFFFAOYSA-N 0 0 440.496 3.716 40 0 IHABRN 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40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000408695508 556097733 /nfs/dbraw/zinc/09/77/33/556097733.db2.gz VREWDLKRKFLKCT-UHFFFAOYSA-N 0 0 438.933 3.702 40 0 IHABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)NC(C)C ZINC000408700725 556102870 /nfs/dbraw/zinc/10/28/70/556102870.db2.gz KXEGCKHKHQMWLS-UHFFFAOYSA-N 0 0 441.347 3.787 40 0 IHABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000408700679 556102969 /nfs/dbraw/zinc/10/29/69/556102969.db2.gz KDFOZGMBXGGHDU-UHFFFAOYSA-N 0 0 443.569 3.514 40 0 IHABRN CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)NC(C)C ZINC000408700811 556105779 /nfs/dbraw/zinc/10/57/79/556105779.db2.gz MFTYEFACYMFEOX-UHFFFAOYSA-N 0 0 441.347 3.787 40 0 IHABRN CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 ZINC000408700988 556106046 /nfs/dbraw/zinc/10/60/46/556106046.db2.gz PRCRHGJBPWVCLV-UHFFFAOYSA-N 0 0 429.542 3.626 40 0 IHABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000408703127 556107814 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CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c(Br)c1 ZINC000013996607 556353503 /nfs/dbraw/zinc/35/35/03/556353503.db2.gz ZGOOMICSUDEIBL-UHFFFAOYSA-N 0 0 447.329 3.501 40 0 IHABRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(I)cc3)n2)cc1 ZINC000014217376 556393150 /nfs/dbraw/zinc/39/31/50/556393150.db2.gz ZFOOURCIAJTHBN-UHFFFAOYSA-N 0 0 449.248 3.921 40 0 IHABRN COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H](C)Oc4ccc(F)cc4)nn3cn2)cc1 ZINC000012085114 556398924 /nfs/dbraw/zinc/39/89/24/556398924.db2.gz YMXWZKNRVBXXCC-CABCVRRESA-N 0 0 435.459 3.584 40 0 IHABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)CCc4ccccc4OC)nn3cn2)cc1 ZINC000012085159 556398952 /nfs/dbraw/zinc/39/89/52/556398952.db2.gz YYZYNIVUKQNCGC-INIZCTEOSA-N 0 0 431.496 3.619 40 0 IHABRN CCc1c(C)sc2ncn(C3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)CC3)c(=O)c12 ZINC000012087384 556400607 /nfs/dbraw/zinc/40/06/07/556400607.db2.gz DMGDVXUEWTVIKR-UHFFFAOYSA-N 0 0 427.574 3.827 40 0 IHABRN Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000012088054 556400993 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556551562 /nfs/dbraw/zinc/55/15/62/556551562.db2.gz RBTMLBINJQTJGE-UHFFFAOYSA-N 0 0 444.553 3.907 40 0 IHABRN CCOc1ccccc1CCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000013670762 556551578 /nfs/dbraw/zinc/55/15/78/556551578.db2.gz UHTXNCSZCDWWRW-UHFFFAOYSA-N 0 0 436.549 3.520 40 0 IHABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000013670871 556551802 /nfs/dbraw/zinc/55/18/02/556551802.db2.gz RWHPJFLOZWEZBA-UHFFFAOYSA-N 0 0 446.569 3.874 40 0 IHABRN CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000013671162 556552041 /nfs/dbraw/zinc/55/20/41/556552041.db2.gz RIUMZLJKBHASTA-UHFFFAOYSA-N 0 0 432.542 3.767 40 0 IHABRN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015961179 556569424 /nfs/dbraw/zinc/56/94/24/556569424.db2.gz IGKUKDLMZNFJTO-UHFFFAOYSA-N 0 0 445.343 3.850 40 0 IHABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C ZINC000016163224 556587057 /nfs/dbraw/zinc/58/70/57/556587057.db2.gz BICJIZWGSJWFRF-UHFFFAOYSA-N 0 0 436.839 3.870 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557337279 /nfs/dbraw/zinc/33/72/79/557337279.db2.gz QPLFZUGEUPCHCB-MRXNPFEDSA-N 0 0 447.373 3.862 40 0 IHABRN CCC(C)(C)n1nnnc1[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1 ZINC000013504185 557339220 /nfs/dbraw/zinc/33/92/20/557339220.db2.gz OFMVQIFJXFYVLS-IBGZPJMESA-N 0 0 442.951 3.612 40 0 IHABRN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000072203289 557340568 /nfs/dbraw/zinc/34/05/68/557340568.db2.gz FKLWZVWOFYZBMR-NSHDSACASA-N 0 0 439.397 3.531 40 0 IHABRN C[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000013566159 557344233 /nfs/dbraw/zinc/34/42/33/557344233.db2.gz QNLNNXSUNOZMHI-ZETCQYMHSA-N 0 0 439.448 3.506 40 0 IHABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222497273 557344616 /nfs/dbraw/zinc/34/46/16/557344616.db2.gz QYLSFQKAZNBXJY-GUYCJALGSA-N 0 0 442.940 3.910 40 0 IHABRN O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc2c(c1)OCCO2 ZINC000013566510 557344832 /nfs/dbraw/zinc/34/48/32/557344832.db2.gz SZILZQICXBGINE-UHFFFAOYSA-N 0 0 443.488 3.742 40 0 IHABRN CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222500624 557345088 /nfs/dbraw/zinc/34/50/88/557345088.db2.gz JLPNTOVKDHXLGF-MRXNPFEDSA-N 0 0 444.912 3.680 40 0 IHABRN CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222506295 557345931 /nfs/dbraw/zinc/34/59/31/557345931.db2.gz VSWGEQDIIGLDRH-SFHVURJKSA-N 0 0 426.897 3.865 40 0 IHABRN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(=O)[nH]c(SCc3cccc(Cl)c3)nc2N1 ZINC000013567427 557346333 /nfs/dbraw/zinc/34/63/33/557346333.db2.gz JFNZUCTVPHOLOF-AWEZNQCLSA-N 0 0 441.896 3.918 40 0 IHABRN CN(c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(Cl)c1)S(C)(=O)=O ZINC000222517281 557346980 /nfs/dbraw/zinc/34/69/80/557346980.db2.gz VUXYULWWTDDCBE-UHFFFAOYSA-N 0 0 437.949 3.516 40 0 IHABRN CCN(c1ccc(OCC(=O)Nc2ccccc2OC)cc1)S(=O)(=O)c1ccccc1 ZINC000013584962 557349806 /nfs/dbraw/zinc/34/98/06/557349806.db2.gz KXSMOHITGJJDKW-UHFFFAOYSA-N 0 0 440.521 3.928 40 0 IHABRN 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ZINC000222579966 557355455 /nfs/dbraw/zinc/35/54/55/557355455.db2.gz HUAAXCDAMUUEHB-UHFFFAOYSA-N 0 0 439.002 3.933 40 0 IHABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(I)c2)S1 ZINC000222583133 557356071 /nfs/dbraw/zinc/35/60/71/557356071.db2.gz WVZCHJKYRJONMQ-GTTSAUCSSA-N 0 0 437.306 3.981 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4sncc4c3)C2)cc1 ZINC000222585693 557356547 /nfs/dbraw/zinc/35/65/47/557356547.db2.gz ZSNCZZTWDYZGCA-OAHLLOKOSA-N 0 0 445.566 3.734 40 0 IHABRN COc1cccc(N(CCCC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000222594273 557358155 /nfs/dbraw/zinc/35/81/55/557358155.db2.gz AEGIPXMEOURJKL-UHFFFAOYSA-N 0 0 438.977 3.644 40 0 IHABRN COc1ccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 ZINC000222598942 557359200 /nfs/dbraw/zinc/35/92/00/557359200.db2.gz UBLCXCSARURJHN-UHFFFAOYSA-N 0 0 441.347 3.643 40 0 IHABRN COc1ccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000222601215 557359703 /nfs/dbraw/zinc/35/97/03/557359703.db2.gz MDHJYAPVCPWEDF-UHFFFAOYSA-N 0 0 444.597 3.723 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1Cl ZINC000222606003 557360429 /nfs/dbraw/zinc/36/04/29/557360429.db2.gz JOZJULVFZMIOGV-MRXNPFEDSA-N 0 0 436.961 3.802 40 0 IHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccc(C)c(C)c2)CC1 ZINC000222622205 557363383 /nfs/dbraw/zinc/36/33/83/557363383.db2.gz VUXULUROXYHRCC-UHFFFAOYSA-N 0 0 434.533 3.515 40 0 IHABRN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000222627171 557364746 /nfs/dbraw/zinc/36/47/46/557364746.db2.gz ZOIQFVMPZDQVCQ-KRWDZBQOSA-N 0 0 428.554 3.654 40 0 IHABRN COC(=O)c1cn(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000222628503 557365021 /nfs/dbraw/zinc/36/50/21/557365021.db2.gz MYGJSLOCUBFMKI-IBGZPJMESA-N 0 0 446.912 3.575 40 0 IHABRN COC(=O)c1cn(C(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c2ccccc12 ZINC000222630103 557365479 /nfs/dbraw/zinc/36/54/79/557365479.db2.gz FUNNXNUNYIUTMJ-UHFFFAOYSA-N 0 0 440.521 3.537 40 0 IHABRN Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000222642699 557367311 /nfs/dbraw/zinc/36/73/11/557367311.db2.gz SGEAUCRZKCDJPC-IBGZPJMESA-N 0 0 438.549 3.730 40 0 IHABRN CCc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000222643732 557367603 /nfs/dbraw/zinc/36/76/03/557367603.db2.gz QDJBVHWIZZVXMV-UHFFFAOYSA-N 0 0 445.585 3.572 40 0 IHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222651780 557368686 /nfs/dbraw/zinc/36/86/86/557368686.db2.gz JRSWJNVEMCZFNK-HXUWFJFHSA-N 0 0 428.504 3.819 40 0 IHABRN Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1N(C)S(C)(=O)=O ZINC000222684493 557373831 /nfs/dbraw/zinc/37/38/31/557373831.db2.gz BQHNEJUVIMCEGO-UHFFFAOYSA-N 0 0 436.946 3.815 40 0 IHABRN COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000222692189 557374806 /nfs/dbraw/zinc/37/48/06/557374806.db2.gz YBWHDQMLZZPUPX-UHFFFAOYSA-N 0 0 440.521 3.846 40 0 IHABRN CC(C)Oc1ccc(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000113955447 557381060 /nfs/dbraw/zinc/38/10/60/557381060.db2.gz COFBPSYHBFAWIX-UHFFFAOYSA-N 0 0 438.977 3.990 40 0 IHABRN COc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(C)c3)n2)c(OC)c1 ZINC000222747686 557382445 /nfs/dbraw/zinc/38/24/45/557382445.db2.gz BVEIFBMKMBMZAT-UHFFFAOYSA-N 0 0 427.526 3.954 40 0 IHABRN COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 ZINC000222767749 557384528 /nfs/dbraw/zinc/38/45/28/557384528.db2.gz CMRKHOFSQFDAKS-UHFFFAOYSA-N 0 0 446.569 3.656 40 0 IHABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222773804 557385347 /nfs/dbraw/zinc/38/53/47/557385347.db2.gz MXXSIBTXKDUEAY-CYBMUJFWSA-N 0 0 437.323 3.818 40 0 IHABRN CCOc1cc(CCC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)on1 ZINC000072351391 557385409 /nfs/dbraw/zinc/38/54/09/557385409.db2.gz PLQOMWBYFZSXNY-QHCPKHFHSA-N 0 0 447.535 3.585 40 0 IHABRN Cc1cccc(-c2ccccc2C[C@@H]2C(=O)NCCN2C(=O)CCCc2ccccn2)c1 ZINC000072351615 557386153 /nfs/dbraw/zinc/38/61/53/557386153.db2.gz LTHZNVMDNXXDDN-RUZDIDTESA-N 0 0 427.548 3.949 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C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924589 568629909 /nfs/dbraw/zinc/62/99/09/568629909.db2.gz IPYKRUUKZGPZIB-AVRDEDQJSA-N 0 0 426.582 3.844 40 0 IHABRN COc1cccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 ZINC000260937176 568630336 /nfs/dbraw/zinc/63/03/36/568630336.db2.gz PLQOREMBUQLSPB-GOSISDBHSA-N 0 0 444.597 3.998 40 0 IHABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 ZINC000260926479 568630552 /nfs/dbraw/zinc/63/05/52/568630552.db2.gz IWOOVTHKGAIPEW-LJQANCHMSA-N 0 0 446.613 3.951 40 0 IHABRN COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 ZINC000260928676 568630646 /nfs/dbraw/zinc/63/06/46/568630646.db2.gz KJNMNOSBFMTMEA-MSOLQXFVSA-N 0 0 448.585 3.661 40 0 IHABRN COc1cccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 ZINC000260949496 568631702 /nfs/dbraw/zinc/63/17/02/568631702.db2.gz XIBHPXUTVTWTPY-QGZVFWFLSA-N 0 0 430.570 3.608 40 0 IHABRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc5c(cc4C)n(C)c(=O)n5C)OCC[C@@]31C2 ZINC000257203097 568666704 /nfs/dbraw/zinc/66/67/04/568666704.db2.gz AORRPTPXJGGYLT-PCQHQVABSA-N 0 0 425.573 3.594 40 0 IHABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Oc5ncccn5)cc4)OCC[C@]3(C2)[C@H]1NC(=O)CCO ZINC000257208317 568668904 /nfs/dbraw/zinc/66/89/04/568668904.db2.gz BLRGBLYBQXNLBK-QBJNZZKDSA-N 0 0 437.540 3.650 40 0 IHABRN Cc1cc(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)nc(N2CCCCC2)n1 ZINC000257209100 568669360 /nfs/dbraw/zinc/66/93/60/568669360.db2.gz BOYWFGVONWHQQV-OAQYLSRUSA-N 0 0 435.572 3.590 40 0 IHABRN O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257211997 568670897 /nfs/dbraw/zinc/67/08/97/568670897.db2.gz CBMDOBWWUCIHKZ-QPPBQGQZSA-N 0 0 434.471 3.520 40 0 IHABRN CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NCC4CCCCC4)c(C)n3n2)C1 ZINC000257214096 568671616 /nfs/dbraw/zinc/67/16/16/568671616.db2.gz CKMQMOHMIJTTLK-HXUWFJFHSA-N 0 0 439.604 3.701 40 0 IHABRN 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ZINC000257224267 568676035 /nfs/dbraw/zinc/67/60/35/568676035.db2.gz FBAKQZALIBUFSZ-XMMPIXPASA-N 0 0 425.960 3.983 40 0 IHABRN O=C(CCc1[nH]nc2c1CCCC2)N1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257226849 568677558 /nfs/dbraw/zinc/67/75/58/568677558.db2.gz FMKVUCMBRNBTSZ-VWLOTQADSA-N 0 0 448.542 3.946 40 0 IHABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000257227444 568677647 /nfs/dbraw/zinc/67/76/47/568677647.db2.gz FPHWNUNTAYKBES-IAGOWNOFSA-N 0 0 426.536 3.901 40 0 IHABRN COc1cccc(-c2cncc([C@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)c1 ZINC000257227631 568677830 /nfs/dbraw/zinc/67/78/30/568677830.db2.gz FQEWHGITCSLRER-XMMPIXPASA-N 0 0 428.492 3.776 40 0 IHABRN Cc1cc(OCC(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c2cccc(C)c2n1 ZINC000257227790 568677894 /nfs/dbraw/zinc/67/78/94/568677894.db2.gz FQWPZNUJGUQNPC-UNMCSNQZSA-N 0 0 438.499 3.800 40 0 IHABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000257228109 568678111 /nfs/dbraw/zinc/67/81/11/568678111.db2.gz FSHXLYIIOKMAND-HXUWFJFHSA-N 0 0 435.549 3.724 40 0 IHABRN COCc1ccc(OC)c(CN2CCO[C@@H](c3cccc(Nc4nnc(C)s4)n3)C2)c1 ZINC000257229803 568678847 /nfs/dbraw/zinc/67/88/47/568678847.db2.gz FZNZJDXIFAQWRC-HXUWFJFHSA-N 0 0 441.557 3.714 40 0 IHABRN COCC(=O)N1CCC(C)(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CC1 ZINC000257236480 568682158 /nfs/dbraw/zinc/68/21/58/568682158.db2.gz HCJQXDSULFKTBQ-UHFFFAOYSA-N 0 0 449.595 3.654 40 0 IHABRN NC(=O)CC1(COc2ccccc2)CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000257237722 568682758 /nfs/dbraw/zinc/68/27/58/568682758.db2.gz HHVZDQIQZFCZJJ-UHFFFAOYSA-N 0 0 436.430 3.762 40 0 IHABRN Cc1nc2cc([C@H]3CCCN3Cc3ccncc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257240180 568683694 /nfs/dbraw/zinc/68/36/94/568683694.db2.gz HSLQYGSRIZUNHN-HSZRJFAPSA-N 0 0 432.572 3.537 40 0 IHABRN CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(C(=O)CCCc4cn[nH]c4)C[C@H]3C[C@@H]21 ZINC000257244297 568685905 /nfs/dbraw/zinc/68/59/05/568685905.db2.gz IKSJHIZLELEJRK-DCZASFAJSA-N 0 0 425.529 3.604 40 0 IHABRN Cc1cc(C(=O)N2CCOC[C@@H](Cc3cccc4ccncc43)C2)nc(N2CCCCC2)n1 ZINC000257246705 568687009 /nfs/dbraw/zinc/68/70/09/568687009.db2.gz IVKVDXBWLCBNRI-FQEVSTJZSA-N 0 0 445.567 3.655 40 0 IHABRN CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2cccnc2)CC1 ZINC000257249548 568688336 /nfs/dbraw/zinc/68/83/36/568688336.db2.gz JIWJRJUMRSGDND-UHFFFAOYSA-N 0 0 442.563 3.674 40 0 IHABRN Cc1nc(CC(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cs1 ZINC000257250527 568688723 /nfs/dbraw/zinc/68/87/23/568688723.db2.gz JMXDSLBLIQLBEX-HXUWFJFHSA-N 0 0 446.960 3.592 40 0 IHABRN COc1cc2c(cc1CN1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CCC2 ZINC000257251812 568689278 /nfs/dbraw/zinc/68/92/78/568689278.db2.gz JSIRLUPMWHHOAR-HSZRJFAPSA-N 0 0 433.556 3.938 40 0 IHABRN O=S(=O)(Cc1cc(F)cc(F)c1)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257253402 568690082 /nfs/dbraw/zinc/69/00/82/568690082.db2.gz JYULTRXZMGKZPY-UHFFFAOYSA-N 0 0 445.495 3.603 40 0 IHABRN O=S(=O)(Cc1ccccc1Cl)N1CCC(c2cccc(Nc3ncccn3)n2)CC1 ZINC000257258296 568692415 /nfs/dbraw/zinc/69/24/15/568692415.db2.gz KTFSGZZSCYCNRR-UHFFFAOYSA-N 0 0 443.960 3.978 40 0 IHABRN CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)Cn3cc(Cl)cn3)(c3ccccc3)CC[C@@H]2O1 ZINC000257259593 568692988 /nfs/dbraw/zinc/69/29/88/568692988.db2.gz KZAQERLBAGRDOJ-XBJMDHIQSA-N 0 0 445.991 3.709 40 0 IHABRN Cc1ccc2c(c1)N(C(=O)CN1CCC[C@@]1(C(N)=O)c1cccc(C)n1)C(C)(C)C=C2C ZINC000257260208 568693235 /nfs/dbraw/zinc/69/32/35/568693235.db2.gz LBUDMYXHXYTDKJ-SANMLTNESA-N 0 0 432.568 3.704 40 0 IHABRN COc1cccc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)c1OCc1ccccn1 ZINC000257261978 568694154 /nfs/dbraw/zinc/69/41/54/568694154.db2.gz LJMXWQSKJHSGJD-HXUWFJFHSA-N 0 0 432.524 3.805 40 0 IHABRN Cc1nn([C@H](C)CC(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3ccccc3)cc2)c(C)c1C ZINC000257267271 568696540 /nfs/dbraw/zinc/69/65/40/568696540.db2.gz MGOXZFBGCHACJU-IQGLISFBSA-N 0 0 444.579 3.996 40 0 IHABRN CN(C)C(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cccnc2)CC1 ZINC000257268789 568696958 /nfs/dbraw/zinc/69/69/58/568696958.db2.gz MNFLISOQLPDAKI-UHFFFAOYSA-N 0 0 428.536 3.697 40 0 IHABRN COCc1cccc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257269975 568697531 /nfs/dbraw/zinc/69/75/31/568697531.db2.gz MSGKJYYUIVFXKV-QHCPKHFHSA-N 0 0 430.932 3.663 40 0 IHABRN NC(=O)c1cccc(-c2cccc([C@@H]3CN(C(=O)CCc4ccc(F)cc4)CCO3)n2)c1 ZINC000257270262 568697783 /nfs/dbraw/zinc/69/77/83/568697783.db2.gz MTLBQDYJVAIFEL-QHCPKHFHSA-N 0 0 433.483 3.519 40 0 IHABRN CNc1cc([C@H]2CCCN2C(=O)C2(Cc3cccc(F)c3)CCN(C(C)=O)CC2)ccn1 ZINC000257273390 568699073 /nfs/dbraw/zinc/69/90/73/568699073.db2.gz NGJCUJLZEJOSON-JOCHJYFZSA-N 0 0 438.547 3.797 40 0 IHABRN O=C(c1cccc(Cn2ccnc2)c1)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCCC(=O)N2 ZINC000257277168 568700804 /nfs/dbraw/zinc/70/08/04/568700804.db2.gz NWSSZDSJOSXCRE-JYFHCDHNSA-N 0 0 446.526 3.739 40 0 IHABRN Cc1cccnc1CN1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 ZINC000257278699 568701635 /nfs/dbraw/zinc/70/16/35/568701635.db2.gz ODGVQBOBYDFWNY-XMMPIXPASA-N 0 0 446.599 3.942 40 0 IHABRN CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3Cc3cccc(C)n3)nn2c1C ZINC000257284378 568704184 /nfs/dbraw/zinc/70/41/84/568704184.db2.gz PCLGAIQQOBDGOK-HSZRJFAPSA-N 0 0 434.588 3.845 40 0 IHABRN CCOc1ccc(CN2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO ZINC000257284872 568704538 /nfs/dbraw/zinc/70/45/38/568704538.db2.gz PERQONVWZNDDDT-DEOSSOPVSA-N 0 0 449.555 3.697 40 0 IHABRN C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)c3c[nH]c(=O)[nH]3)[C@H]1CCCCC(=O)N2 ZINC000257285752 568704826 /nfs/dbraw/zinc/70/48/26/568704826.db2.gz PIQKJUDVONRKHP-FTRWYGJKSA-N 0 0 436.434 3.539 40 0 IHABRN Cc1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CC(=O)N2Cc1ccccc1F ZINC000257289961 568706705 /nfs/dbraw/zinc/70/67/05/568706705.db2.gz QAXPLWNFNMARQN-LJQANCHMSA-N 0 0 436.531 3.910 40 0 IHABRN COc1ccc(NC(=O)CN2CCC(c3cncc(Nc4ncccc4C)n3)CC2)cc1 ZINC000257290024 568706894 /nfs/dbraw/zinc/70/68/94/568706894.db2.gz QBELURQTLYHYIG-UHFFFAOYSA-N 0 0 432.528 3.750 40 0 IHABRN 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555958973 /nfs/dbraw/zinc/95/89/73/555958973.db2.gz ALWUTBGGJLDWCQ-ZDUSSCGKSA-N 0 0 430.448 3.798 40 0 IHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)c1cccc(C(F)(F)F)c1 ZINC000408594515 555960779 /nfs/dbraw/zinc/96/07/79/555960779.db2.gz SOKGNQBGTGXQGB-UHFFFAOYSA-N 0 0 444.475 3.742 40 0 IHABRN CC(=O)c1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408594475 555960780 /nfs/dbraw/zinc/96/07/80/555960780.db2.gz SIVXPHHNUHYHRC-QGZVFWFLSA-N 0 0 444.553 3.906 40 0 IHABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408594790 555961153 /nfs/dbraw/zinc/96/11/53/555961153.db2.gz PHPKSPKJWMQXEI-GOSISDBHSA-N 0 0 446.569 3.545 40 0 IHABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C ZINC000408597555 555965138 /nfs/dbraw/zinc/96/51/38/555965138.db2.gz ZESQDJSROIDZGT-UHFFFAOYSA-N 0 0 432.542 3.504 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000408608906 555979424 /nfs/dbraw/zinc/97/94/24/555979424.db2.gz QIIAYNCBWMSQIM-VIFPVBQESA-N 0 0 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CCOc1ccc(CNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000013672433 556552618 /nfs/dbraw/zinc/55/26/18/556552618.db2.gz KDLVTIQYLVDIKH-UHFFFAOYSA-N 0 0 438.549 3.982 40 0 IHABRN O=C(NCCSc1ccccc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013681293 556556755 /nfs/dbraw/zinc/55/67/55/556556755.db2.gz GUQRVJWVCMBWME-UHFFFAOYSA-N 0 0 446.638 3.570 40 0 IHABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(C[C@H]1CCCO1)C(=O)c1ccccn1 ZINC000015935962 556566100 /nfs/dbraw/zinc/56/61/00/556566100.db2.gz OCUNOQAXCJBEFB-HYBUGGRVSA-N 0 0 447.510 3.900 40 0 IHABRN Cc1c(Cl)c(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000015946615 556567352 /nfs/dbraw/zinc/56/73/52/556567352.db2.gz BYUPTSUDIBDNOR-VOAKKNSGSA-N 0 0 439.737 3.769 40 0 IHABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000016188243 556587909 /nfs/dbraw/zinc/58/79/09/556587909.db2.gz QBTNKBONUHKDBL-UHFFFAOYSA-N 0 0 440.521 3.533 40 0 IHABRN COc1ccc(OC)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000016215329 556591582 /nfs/dbraw/zinc/59/15/82/556591582.db2.gz HGEWKLBVDIEMNA-UHFFFAOYSA-N 0 0 432.542 3.666 40 0 IHABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)C(Cl)(Cl)Cl ZINC000016284507 556597245 /nfs/dbraw/zinc/59/72/45/556597245.db2.gz LWTFPOQQLWKKJE-UHFFFAOYSA-N 0 0 428.732 3.912 40 0 IHABRN C[C@@]1(O)CCN(Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289668 556623924 /nfs/dbraw/zinc/62/39/24/556623924.db2.gz NFPHBJZBOFKDQH-QNWVGRARSA-N 0 0 425.529 3.779 40 0 biogenic,in-vitro IHABRN C[C@@]1(O)CCN(Cc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289968 556625711 /nfs/dbraw/zinc/62/57/11/556625711.db2.gz RMTZYPHJLXRRBK-KYPHJKQUSA-N 0 0 436.552 3.788 40 0 biogenic,in-vitro IHABRN C[C@@]1(O)CCN(Cc2cc(-c3ccccc3)no2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514290046 556626170 /nfs/dbraw/zinc/62/61/70/556626170.db2.gz VYEOHIBOMPOECB-KYPHJKQUSA-N 0 0 431.536 3.934 40 0 biogenic,in-vitro IHABRN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000514290384 556626449 /nfs/dbraw/zinc/62/64/49/556626449.db2.gz ZSWDEKUIGPOEJE-GGAORHGYSA-N 0 0 434.442 3.989 40 0 biogenic,in-vitro IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000016692628 556627651 /nfs/dbraw/zinc/62/76/51/556627651.db2.gz XFOTXSYDWRTSMM-UHFFFAOYSA-N 0 0 447.340 3.660 40 0 IHABRN COc1ccc(CCn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1OC ZINC000040390923 556637699 /nfs/dbraw/zinc/63/76/99/556637699.db2.gz VXIDGBMXSIZAGI-UHFFFAOYSA-N 0 0 441.491 3.675 40 0 IHABRN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1 ZINC000013513624 556667212 /nfs/dbraw/zinc/66/72/12/556667212.db2.gz BXPASGIBSLOURW-VABKMULXSA-N 0 0 430.460 3.755 40 0 IHABRN CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)c(C)c1 ZINC000044856582 556672305 /nfs/dbraw/zinc/67/23/05/556672305.db2.gz VTKDZXCPJCFAPT-YLJYHZDGSA-N 0 0 436.961 3.751 40 0 IHABRN COc1ccc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1OC ZINC000013521670 556676084 /nfs/dbraw/zinc/67/60/84/556676084.db2.gz BTCOZNHGOKWHSS-MWTRTKDXSA-N 0 0 428.554 3.975 40 0 IHABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044902748 556678520 /nfs/dbraw/zinc/67/85/20/556678520.db2.gz WSOSQRRZUGIREN-URXFXBBRSA-N 0 0 442.625 3.799 40 0 IHABRN COc1ccccc1O[C@@H](CO)[C@@H](O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000238730471 556682094 /nfs/dbraw/zinc/68/20/94/556682094.db2.gz ASSCYVPPKXZCNQ-ZEQRLZLVSA-N 0 0 440.492 3.765 40 0 IHABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 ZINC000044935111 556682663 /nfs/dbraw/zinc/68/26/63/556682663.db2.gz APIAPGCFGYCOCB-QRWLVFNGSA-N 0 0 436.961 3.751 40 0 IHABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000044946841 556683493 /nfs/dbraw/zinc/68/34/93/556683493.db2.gz TXXVPQJJLATJME-SFHVURJKSA-N 0 0 430.570 3.892 40 0 IHABRN NC(=O)c1cc2nc(-c3ccc(I)cc3)[nH]c2c(Br)c1 ZINC000226344590 556684856 /nfs/dbraw/zinc/68/48/56/556684856.db2.gz UGVXVTQFSHCXPP-UHFFFAOYSA-N 0 0 442.054 3.696 40 0 IHABRN Cc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000018147388 556684941 /nfs/dbraw/zinc/68/49/41/556684941.db2.gz FJNYCCHJBXPVKQ-UHFFFAOYSA-N 0 0 436.961 3.632 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000018703125 556690542 /nfs/dbraw/zinc/69/05/42/556690542.db2.gz UVSBNOCECHZEOH-UHFFFAOYSA-N 0 0 428.539 3.550 40 0 IHABRN O=C(CC1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2 ZINC000019014736 556691703 /nfs/dbraw/zinc/69/17/03/556691703.db2.gz ZOHNSANSJQUNPI-FQEVSTJZSA-N 0 0 426.561 3.501 40 0 IHABRN COc1ccc2c(c1)O[C@]1(CCCN(C(=O)C3(c4ccccc4)CC3)C1)CN(C(C)=O)C2 ZINC000019019634 556693032 /nfs/dbraw/zinc/69/30/32/556693032.db2.gz PMZLDZMQLZTEKZ-VWLOTQADSA-N 0 0 434.536 3.529 40 0 IHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)cc2c1 ZINC000000782638 556694144 /nfs/dbraw/zinc/69/41/44/556694144.db2.gz DEVOPLIBZCXUMZ-QFIPXVFZSA-N 0 0 444.539 3.820 40 0 IHABRN CC(=O)Nc1ccc(CCC2(NC(=O)C[C@H]3NC(=O)c4ccccc43)CCCCC2)cn1 ZINC000019022706 556694585 /nfs/dbraw/zinc/69/45/85/556694585.db2.gz FGDPBJBQXPNJCL-OAQYLSRUSA-N 0 0 434.540 3.667 40 0 IHABRN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1OC ZINC000000790298 556695060 /nfs/dbraw/zinc/69/50/60/556695060.db2.gz RNWCUOABXSZSSO-FQEVSTJZSA-N 0 0 436.508 3.675 40 0 IHABRN CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1 ZINC000000797091 556695839 /nfs/dbraw/zinc/69/58/39/556695839.db2.gz PYMLELABQHUYOZ-UHFFFAOYSA-N 0 0 448.508 3.691 40 0 aggregator IHABRN O=C(CSc1nc2ccccc2n1CC(=O)NCc1ccccc1)NCc1ccccc1 ZINC000000803544 556696558 /nfs/dbraw/zinc/69/65/58/556696558.db2.gz IXOJGJSYWRMGFJ-UHFFFAOYSA-N 0 0 444.560 3.761 40 0 IHABRN COCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)(C)C)C1 ZINC000019082880 556697609 /nfs/dbraw/zinc/69/76/09/556697609.db2.gz IHALWOWPCKMKPQ-VWLOTQADSA-N 0 0 426.532 3.815 40 0 IHABRN CC(C)(C)c1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccccc3)C2)[nH]n1 ZINC000019083657 556697891 /nfs/dbraw/zinc/69/78/91/556697891.db2.gz RFDZUZPFELXDCF-HXUWFJFHSA-N 0 0 430.552 3.805 40 0 IHABRN CNc1cc(C2CCN(C(=O)c3cnc(C(C)(C)C)nc3)CC2)nc(-c2cccnc2)n1 ZINC000019084768 556698775 /nfs/dbraw/zinc/69/87/75/556698775.db2.gz BQTPLPSENHDBSA-UHFFFAOYSA-N 0 0 431.544 3.688 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000019116952 556700301 /nfs/dbraw/zinc/70/03/01/556700301.db2.gz DCCOXPMMVDZKLU-INIZCTEOSA-N 0 0 440.447 3.591 40 0 IHABRN Cc1cc(-c2cnc(N3CCC(NC(=O)Cc4ccccc4F)CC3)nc2C2CC2)on1 ZINC000019121725 556701203 /nfs/dbraw/zinc/70/12/03/556701203.db2.gz XZRCRANMQZXMKD-UHFFFAOYSA-N 0 0 435.503 3.784 40 0 IHABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cncc(N)c2)CC1 ZINC000257202196 556701290 /nfs/dbraw/zinc/70/12/90/556701290.db2.gz AKVSDGFLVVYGIN-UHFFFAOYSA-N 0 0 442.563 3.932 40 0 IHABRN Cc1cc(OC[C@]2(O)CCCN(CC(=O)NCCc3ccccc3)C2)cc(C)c1Cl ZINC000257205500 556701575 /nfs/dbraw/zinc/70/15/75/556701575.db2.gz AZJNWYHTRXUAOH-DEOSSOPVSA-N 0 0 430.976 3.521 40 0 IHABRN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)on1 ZINC000019122963 556701967 /nfs/dbraw/zinc/70/19/67/556701967.db2.gz XSARHMOSUJMKHE-UHFFFAOYSA-N 0 0 449.559 3.882 40 0 IHABRN COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1-c1ccc(F)cc1 ZINC000257325978 556704880 /nfs/dbraw/zinc/70/48/80/556704880.db2.gz WVGMHVKCDSUWAS-NRFANRHFSA-N 0 0 448.494 3.693 40 0 IHABRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C(C)C)CC4)cc1 ZINC000019135378 556705751 /nfs/dbraw/zinc/70/57/51/556705751.db2.gz QGHHUVGOJBTJFH-JOCHJYFZSA-N 0 0 433.556 3.877 40 0 IHABRN Cc1sc2ncn(CC3(O)CCN(C(=O)[C@H](C)c4ccc(C)cc4)CC3)c(=O)c2c1C ZINC000019135758 556706208 /nfs/dbraw/zinc/70/62/08/556706208.db2.gz TVVOBKIBXGLJQT-QGZVFWFLSA-N 0 0 439.581 3.540 40 0 IHABRN Cc1sc2ncn(CC3(O)CCN(C(=O)[C@@H](C)c4ccc(C)cc4)CC3)c(=O)c2c1C ZINC000019135761 556706233 /nfs/dbraw/zinc/70/62/33/556706233.db2.gz TVVOBKIBXGLJQT-KRWDZBQOSA-N 0 0 439.581 3.540 40 0 IHABRN COc1ccc(F)cc1-c1cccc(CC2(C(=O)N3CCC[C@H](O)C3)CCOCC2)c1 ZINC000257334585 556706328 /nfs/dbraw/zinc/70/63/28/556706328.db2.gz YGOSGUPQYLEXFS-NRFANRHFSA-N 0 0 427.516 3.824 40 0 IHABRN O=C(N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2)C1(Cc2ccccc2F)CCOCC1 ZINC000257337295 556706842 /nfs/dbraw/zinc/70/68/42/556706842.db2.gz YSFHTNDHZSGJLI-RUZDIDTESA-N 0 0 438.499 3.793 40 0 IHABRN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N21 ZINC000013656464 556708075 /nfs/dbraw/zinc/70/80/75/556708075.db2.gz NSYYOCZKQDTUGG-DCXXXQMHSA-N 0 0 431.536 3.834 40 0 IHABRN Cc1cc(-c2cnc(NCCNC(=O)c3oc(C)nc3C)nc2-c2ccc(C)s2)on1 ZINC000019217414 556712797 /nfs/dbraw/zinc/71/27/97/556712797.db2.gz BJWAJDOKEBQUFV-UHFFFAOYSA-N 0 0 438.513 3.924 40 0 IHABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCC[C@H](O)C3)CCOCC2)cc1 ZINC000257274632 556714091 /nfs/dbraw/zinc/71/40/91/556714091.db2.gz NLYAPYRQIWMVQD-NRFANRHFSA-N 0 0 427.516 3.824 40 0 IHABRN 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/nfs/dbraw/zinc/30/88/84/557308884.db2.gz AQJUDAHYRGCURY-KRWDZBQOSA-N 0 0 440.949 3.849 40 0 IHABRN CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220710818 557308981 /nfs/dbraw/zinc/30/89/81/557308981.db2.gz QFHJGWRDQQRHKC-KRWDZBQOSA-N 0 0 438.933 3.618 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1OC ZINC000113935411 557309988 /nfs/dbraw/zinc/30/99/88/557309988.db2.gz LPDIYBSKLDJCLO-UHFFFAOYSA-N 0 0 444.484 3.677 40 0 IHABRN COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000113936751 557310239 /nfs/dbraw/zinc/31/02/39/557310239.db2.gz MWYVUCSBNDDRGB-UHFFFAOYSA-N 0 0 444.484 3.677 40 0 IHABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220738347 557310567 /nfs/dbraw/zinc/31/05/67/557310567.db2.gz RIYPOVWNHLKRGQ-SFHVURJKSA-N 0 0 438.933 3.618 40 0 IHABRN CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220745680 557311130 /nfs/dbraw/zinc/31/11/30/557311130.db2.gz KBRVAWPGYSWGAK-QGZVFWFLSA-N 0 0 426.922 3.541 40 0 IHABRN CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220750199 557311473 /nfs/dbraw/zinc/31/14/73/557311473.db2.gz IKVGCFGMDQZYHB-SFHVURJKSA-N 0 0 438.933 3.735 40 0 IHABRN CC[C@H](C(=O)NCCSC(C)(C)C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000220758348 557312242 /nfs/dbraw/zinc/31/22/42/557312242.db2.gz RFYGRUNYODWZJK-CQSZACIVSA-N 0 0 437.027 3.541 40 0 IHABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501020 557324328 /nfs/dbraw/zinc/32/43/28/557324328.db2.gz FTAAZFBUVHUJJX-OAQYLSRUSA-N 0 0 440.592 3.694 40 0 IHABRN CCC[C@@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501009 557324358 /nfs/dbraw/zinc/32/43/58/557324358.db2.gz ATQMEYNULXIYPX-NRFANRHFSA-N 0 0 438.576 3.664 40 0 IHABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499647 557328599 /nfs/dbraw/zinc/32/85/99/557328599.db2.gz VEXZDSNZYKYEEN-HXUWFJFHSA-N 0 0 440.592 3.612 40 0 IHABRN O=C(CNC(=O)c1ccco1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013506822 557330569 /nfs/dbraw/zinc/33/05/69/557330569.db2.gz RMEPXLXRKSIZAR-DEOSSOPVSA-N 0 0 445.519 3.843 40 0 IHABRN COCCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccoc1C ZINC000013512166 557333047 /nfs/dbraw/zinc/33/30/47/557333047.db2.gz SKOFAEIVSLPHHX-UHFFFAOYSA-N 0 0 430.530 3.931 40 0 IHABRN CCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)s1 ZINC000013513273 557334592 /nfs/dbraw/zinc/33/45/92/557334592.db2.gz XSWOXPOOAWBFHH-UHFFFAOYSA-N 0 0 437.554 3.782 40 0 IHABRN CCCCC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 ZINC000013513522 557334801 /nfs/dbraw/zinc/33/48/01/557334801.db2.gz VBYVODYOUGSUGY-INIZCTEOSA-N 0 0 444.645 3.970 40 0 IHABRN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCc3ccccc3)c2=O)cc1C ZINC000013533470 557336391 /nfs/dbraw/zinc/33/63/91/557336391.db2.gz CAXQYTHISFONNE-UHFFFAOYSA-N 0 0 433.533 3.723 40 0 IHABRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000033413627 557339259 /nfs/dbraw/zinc/33/92/59/557339259.db2.gz HRDZDKWWFXYRCL-STZFKDTASA-N 0 0 448.525 3.533 40 0 IHABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222429308 557339734 /nfs/dbraw/zinc/33/97/34/557339734.db2.gz SYFPHYSNABLVCN-QGZVFWFLSA-N 0 0 447.373 3.916 40 0 IHABRN CCOc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc(Cl)c1OCC(=O)OC ZINC000013564653 557340672 /nfs/dbraw/zinc/34/06/72/557340672.db2.gz IDNYZBPNELTYEX-CXUHLZMHSA-N 0 0 433.819 3.774 40 0 IHABRN CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222495027 557344122 /nfs/dbraw/zinc/34/41/22/557344122.db2.gz ZPHLLYNXOHZQCV-KRWDZBQOSA-N 0 0 438.933 3.735 40 0 IHABRN CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222506358 557345859 /nfs/dbraw/zinc/34/58/59/557345859.db2.gz VSWGEQDIIGLDRH-GOSISDBHSA-N 0 0 426.897 3.865 40 0 IHABRN COc1cccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)c1OC ZINC000013567462 557346414 /nfs/dbraw/zinc/34/64/14/557346414.db2.gz DQFGWVKSDARKEK-MRXNPFEDSA-N 0 0 437.521 3.564 40 0 IHABRN CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000222524731 557347326 /nfs/dbraw/zinc/34/73/26/557347326.db2.gz IDVXUPPLDYMCGO-QGZVFWFLSA-N 0 0 440.949 3.634 40 0 IHABRN COCCNC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584117 557349263 /nfs/dbraw/zinc/34/92/63/557349263.db2.gz IQDDTPNPSSRFNC-UHFFFAOYSA-N 0 0 432.567 3.552 40 0 IHABRN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000013583199 557349286 /nfs/dbraw/zinc/34/92/86/557349286.db2.gz UTHOPROUGTUCHE-VWEIPLKFSA-N 0 0 432.557 3.927 40 0 IHABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000222545033 557349335 /nfs/dbraw/zinc/34/93/35/557349335.db2.gz ABQCGFPUQWDCGL-WZONZLPQSA-N 0 0 426.557 3.968 40 0 IHABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 ZINC000222555401 557350972 /nfs/dbraw/zinc/35/09/72/557350972.db2.gz ZAGRCCVICBZGTF-HTAPYJJXSA-N 0 0 430.520 3.935 40 0 IHABRN CCOc1ccccc1CCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222560083 557351887 /nfs/dbraw/zinc/35/18/87/557351887.db2.gz HAWKPUPLMMNAEE-UHFFFAOYSA-N 0 0 432.586 3.689 40 0 IHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cccc(Cl)c2C)cc1 ZINC000044802820 557352085 /nfs/dbraw/zinc/35/20/85/557352085.db2.gz GCHNSGVEDSTTLT-UHFFFAOYSA-N 0 0 443.956 3.864 40 0 IHABRN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(N3CCCCS3(=O)=O)c1)CC(C)(C)O2 ZINC000222561921 557352200 /nfs/dbraw/zinc/35/22/00/557352200.db2.gz FKICXOFNBHBSLS-HXUWFJFHSA-N 0 0 428.554 3.957 40 0 IHABRN CCOC(=O)c1cc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)ccc1Cl ZINC000222561071 557352229 /nfs/dbraw/zinc/35/22/29/557352229.db2.gz SZKRKNTZZKEJTP-UHFFFAOYSA-N 0 0 436.917 3.699 40 0 IHABRN CC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(OC)c(OC)c1 ZINC000222562953 557352771 /nfs/dbraw/zinc/35/27/71/557352771.db2.gz CUPUIWMOYBZBAL-LJQANCHMSA-N 0 0 432.542 3.515 40 0 IHABRN COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 ZINC000222565883 557353288 /nfs/dbraw/zinc/35/32/88/557353288.db2.gz IQVAVHFJJWPWRW-LJQANCHMSA-N 0 0 430.570 3.684 40 0 IHABRN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000013563347 557353682 /nfs/dbraw/zinc/35/36/82/557353682.db2.gz IYXOKSHTMUJZAQ-DQYWGJDHSA-N 0 0 437.005 3.826 40 0 IHABRN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000013563349 557353804 /nfs/dbraw/zinc/35/38/04/557353804.db2.gz IYXOKSHTMUJZAQ-XDHFQJGLSA-N 0 0 437.005 3.826 40 0 IHABRN COc1cc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)ccc1OC(C)C ZINC000222570780 557353869 /nfs/dbraw/zinc/35/38/69/557353869.db2.gz KPSDNPWYOJAKEH-UHFFFAOYSA-N 0 0 446.569 3.651 40 0 IHABRN COC(=O)c1cccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C ZINC000222570445 557353934 /nfs/dbraw/zinc/35/39/34/557353934.db2.gz VGOSLFRKMKUDQP-UHFFFAOYSA-N 0 0 432.542 3.583 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000222577127 557354948 /nfs/dbraw/zinc/35/49/48/557354948.db2.gz TULVENAPNRQKID-UHFFFAOYSA-N 0 0 430.570 3.766 40 0 IHABRN COc1ccccc1N(CCCC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000222579878 557355411 /nfs/dbraw/zinc/35/54/11/557355411.db2.gz WPNJEZAYEMUTOC-UHFFFAOYSA-N 0 0 444.597 3.723 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)cc1C ZINC000222580573 557355668 /nfs/dbraw/zinc/35/56/68/557355668.db2.gz QUFUVODAVNNGGT-UHFFFAOYSA-N 0 0 434.533 3.597 40 0 IHABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(I)c2)S1 ZINC000222583191 557356017 /nfs/dbraw/zinc/35/60/17/557356017.db2.gz WVZCHJKYRJONMQ-JQAFLVLXSA-N 0 0 437.306 3.981 40 0 IHABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1Cl ZINC000222591415 557357696 /nfs/dbraw/zinc/35/76/96/557357696.db2.gz YXXAIBJRBYQONV-HXUWFJFHSA-N 0 0 438.977 3.642 40 0 IHABRN CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222612519 557361823 /nfs/dbraw/zinc/36/18/23/557361823.db2.gz ZIQIGMCQRLSISJ-SFHVURJKSA-N 0 0 448.928 3.966 40 0 IHABRN COC(=O)c1cn(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc12 ZINC000222627676 557364872 /nfs/dbraw/zinc/36/48/72/557364872.db2.gz UGNBKDCOHZYKKZ-UHFFFAOYSA-N 0 0 448.928 3.968 40 0 IHABRN COC(=O)c1cn(C(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c2ccccc12 ZINC000222639730 557367005 /nfs/dbraw/zinc/36/70/05/557367005.db2.gz YXLXDDIYHJCLBY-UHFFFAOYSA-N 0 0 448.500 3.942 40 0 IHABRN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000222651028 557368450 /nfs/dbraw/zinc/36/84/50/557368450.db2.gz DHBUIXFHBBOSCI-GOSISDBHSA-N 0 0 436.533 3.522 40 0 IHABRN CS(=O)(=O)N(CCCC(=O)NCCCc1ccccc1Cl)c1ccccc1F ZINC000222658183 557369724 /nfs/dbraw/zinc/36/97/24/557369724.db2.gz LIDVFDGLRRKDSG-UHFFFAOYSA-N 0 0 426.941 3.774 40 0 IHABRN CCOc1ccc(CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000222660769 557369811 /nfs/dbraw/zinc/36/98/11/557369811.db2.gz VWVONPGLEITHCE-UHFFFAOYSA-N 0 0 436.549 3.520 40 0 IHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)cc1 ZINC000222672306 557371604 /nfs/dbraw/zinc/37/16/04/557371604.db2.gz QAKDOTZJUKTMOX-UHFFFAOYSA-N 0 0 442.512 3.972 40 0 IHABRN Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl ZINC000222670978 557371637 /nfs/dbraw/zinc/37/16/37/557371637.db2.gz BYJFJSMGYGNAIV-UHFFFAOYSA-N 0 0 438.933 3.605 40 0 IHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000222684106 557373854 /nfs/dbraw/zinc/37/38/54/557373854.db2.gz QRDOUBNHKRVVIB-ZDUSSCGKSA-N 0 0 425.312 3.544 40 0 IHABRN COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)Cc2ccccc2)nc1C ZINC000072345384 557377944 /nfs/dbraw/zinc/37/79/44/557377944.db2.gz YJAZUILKGWRMHX-JOCHJYFZSA-N 0 0 444.535 3.630 40 0 IHABRN CCOc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000113962295 557382456 /nfs/dbraw/zinc/38/24/56/557382456.db2.gz FYHJRXQGKSAEGV-KRWDZBQOSA-N 0 0 434.558 3.518 40 0 IHABRN CC[C@@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000113965140 557383252 /nfs/dbraw/zinc/38/32/52/557383252.db2.gz RQMCTJVMCUBXKG-HXUWFJFHSA-N 0 0 440.512 3.787 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccccc1Br ZINC000222761728 557383794 /nfs/dbraw/zinc/38/37/94/557383794.db2.gz LJLADQITZMVPJB-UHFFFAOYSA-N 0 0 447.354 3.685 40 0 IHABRN COCc1nn2c(nnc3c2C[C@@H](c2ccccc2OC)CC3=O)c1-c1ccc(OC)cc1 ZINC000013639426 557384531 /nfs/dbraw/zinc/38/45/31/557384531.db2.gz DDHFYXYQWIAQOM-MRXNPFEDSA-N 0 0 444.491 3.868 40 0 IHABRN COc1ccc([C@H]2CC(=O)c3c[nH]c4nn(-c5nc6ccccc6o5)c(=O)c-4c3C2)cc1 ZINC000013639645 557384776 /nfs/dbraw/zinc/38/47/76/557384776.db2.gz VOGOOKZBPWZPEW-CQSZACIVSA-N 0 0 426.432 3.776 40 0 IHABRN COCc1nn2c(nnc3c2C[C@H](c2ccccc2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013639460 557384947 /nfs/dbraw/zinc/38/49/47/557384947.db2.gz NSFYYWFCPNCHQB-KRWDZBQOSA-N 0 0 444.491 3.868 40 0 IHABRN COc1cccc(C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2ccccc2OC)c1 ZINC000072351473 557385619 /nfs/dbraw/zinc/38/56/19/557385619.db2.gz BZLHWDPNQGFQOJ-XMMPIXPASA-N 0 0 444.531 3.896 40 0 IHABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2)cc1 ZINC000222774225 557385586 /nfs/dbraw/zinc/38/55/86/557385586.db2.gz MMGUJMDZIGBEFJ-NRFANRHFSA-N 0 0 446.547 3.850 40 0 IHABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000222775788 557385649 /nfs/dbraw/zinc/38/56/49/557385649.db2.gz PFOGQNAGWDHLBP-FQEVSTJZSA-N 0 0 432.520 3.808 40 0 IHABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCSc3ccc(Cl)cc3)ccc21 ZINC000222777574 557385875 /nfs/dbraw/zinc/38/58/75/557385875.db2.gz KYIVWHLJDKTAEE-UHFFFAOYSA-N 0 0 436.986 3.710 40 0 IHABRN CC(C)Oc1cc(CCC(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2ccccc2)on1 ZINC000072351582 557385897 /nfs/dbraw/zinc/38/58/97/557385897.db2.gz WJTQMKAWWXWHAB-HSZRJFAPSA-N 0 0 447.535 3.631 40 0 IHABRN CCN1CCN(C(=O)c2ccc(N(C)C)cc2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000072351886 557386722 /nfs/dbraw/zinc/38/67/22/557386722.db2.gz WYFPZRMZMHTNOJ-VWLOTQADSA-N 0 0 442.563 3.730 40 0 IHABRN C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222852097 557394293 /nfs/dbraw/zinc/39/42/93/557394293.db2.gz FNAMYNNRAKINQK-GOSISDBHSA-N 0 0 437.927 3.848 40 0 IHABRN 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ZINC000257283654 568703985 /nfs/dbraw/zinc/70/39/85/568703985.db2.gz OZFQBNXSXSCWEY-RXVVDRJESA-N 0 0 449.935 3.932 40 0 IHABRN Cc1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccc(F)cc1 ZINC000257290628 568707147 /nfs/dbraw/zinc/70/71/47/568707147.db2.gz QDRGMXVIARIWTM-LJQANCHMSA-N 0 0 436.531 3.562 40 0 IHABRN CN(C(=O)c1c[nH]nc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000257295707 568709091 /nfs/dbraw/zinc/70/90/91/568709091.db2.gz QZNUJMKMBUQYHU-FQEVSTJZSA-N 0 0 448.564 3.869 40 0 IHABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccnc(Oc2cccc(F)c2)c1 ZINC000257301066 568711708 /nfs/dbraw/zinc/71/17/08/568711708.db2.gz RWVSDXWPDKJNMW-QGZVFWFLSA-N 0 0 444.488 3.507 40 0 IHABRN COc1ccc(-c2cccc(C[C@@H]3C(=O)NCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)c2)cc1 ZINC000257300797 568711713 /nfs/dbraw/zinc/71/17/13/568711713.db2.gz RVSPVQGFHXYLQN-JOCHJYFZSA-N 0 0 446.551 3.566 40 0 IHABRN Cn1cc(C(=O)N2CCC[C@@]3(CN(c4ccc(F)cc4)C(=O)CO3)CC2)c2ccccc21 ZINC000257302791 568712337 /nfs/dbraw/zinc/71/23/37/568712337.db2.gz SEKQCLKTHUUBLE-VWLOTQADSA-N 0 0 435.499 3.746 40 0 IHABRN COCCc1ncc(CN2CCO[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cn1 ZINC000257304297 568713227 /nfs/dbraw/zinc/71/32/27/568713227.db2.gz SKYIHFZDCIBSIN-XMMPIXPASA-N 0 0 436.531 3.672 40 0 IHABRN CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000257316915 568718591 /nfs/dbraw/zinc/71/85/91/568718591.db2.gz VHNZVSFTMDNHMW-DEOSSOPVSA-N 0 0 449.595 3.995 40 0 IHABRN CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)[nH+]2)C1 ZINC000257318339 568719116 /nfs/dbraw/zinc/71/91/16/568719116.db2.gz VNMLUVPFQHDALU-SFHVURJKSA-N 0 0 432.590 3.908 40 0 IHABRN COC(=O)c1cnc(Nc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc(C)n2)s1 ZINC000257320548 568720285 /nfs/dbraw/zinc/72/02/85/568720285.db2.gz VXIAGKXDLAJYTR-UHFFFAOYSA-N 0 0 433.534 3.886 40 0 IHABRN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)n1 ZINC000257320689 568720300 /nfs/dbraw/zinc/72/03/00/568720300.db2.gz VYBFIWPBKAFEMD-UHFFFAOYSA-N 0 0 438.547 3.676 40 0 IHABRN Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)c4cccc(F)c4F)C3)nc(C)n2)n[nH]1 ZINC000257321464 568720623 /nfs/dbraw/zinc/72/06/23/568720623.db2.gz WBUKQQPJJDXNHS-HNNXBMFYSA-N 0 0 426.471 3.933 40 0 IHABRN CCn1cc(CN2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)c(C)n1 ZINC000257321705 568720717 /nfs/dbraw/zinc/72/07/17/568720717.db2.gz WCVNRUSLFSBSLY-JOCHJYFZSA-N 0 0 429.952 3.783 40 0 IHABRN COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(C)=O)[C@@H]2Cc1ccccc1 ZINC000257325226 568722510 /nfs/dbraw/zinc/72/25/10/568722510.db2.gz WRZVVPUFDUTEOW-KDHQNNTKSA-N 0 0 433.552 3.706 40 0 IHABRN CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000257327466 568723411 /nfs/dbraw/zinc/72/34/11/568723411.db2.gz XBLMBSSRKFJZJK-HXUWFJFHSA-N 0 0 439.581 3.847 40 0 IHABRN Cc1nc2cc(C(=O)N3CCC[C@@](C)(C(=O)NCCOc4ccc(C)cc4C)C3)ccc2[nH]1 ZINC000257327807 568723470 /nfs/dbraw/zinc/72/34/70/568723470.db2.gz XCUJWGXCEPRHFO-AREMUKBSSA-N 0 0 448.567 3.926 40 0 IHABRN Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 ZINC000257330276 568724469 /nfs/dbraw/zinc/72/44/69/568724469.db2.gz XNQXFFCSJXTZMO-LJQANCHMSA-N 0 0 446.960 3.674 40 0 IHABRN COc1ccc(OC)c(CC[C@H](C)Nc2cc(-c3c4c(nn3C)CCCC4)nc(N)n2)c1 ZINC000257333048 568725685 /nfs/dbraw/zinc/72/56/85/568725685.db2.gz XZWSHMAQUQKOJK-HNNXBMFYSA-N 0 0 436.560 3.789 40 0 IHABRN CC[C@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C ZINC000257332972 568725830 /nfs/dbraw/zinc/72/58/30/568725830.db2.gz XZMPCKSUZKRJFF-MAUKXSAKSA-N 0 0 427.593 3.555 40 0 IHABRN Cc1csc(Nc2cccc([C@@H]3CN(C(=O)CCn4ncc5ccccc54)CCO3)n2)n1 ZINC000257335165 568726564 /nfs/dbraw/zinc/72/65/64/568726564.db2.gz YIXZLIYGATUNLT-FQEVSTJZSA-N 0 0 448.552 3.930 40 0 IHABRN Cc1nnc(Nc2cccc([C@@H]3CN(C(=O)COc4c(C)cccc4C)CCO3)n2)s1 ZINC000257334939 568726651 /nfs/dbraw/zinc/72/66/51/568726651.db2.gz YHXWTCSLRBREQQ-SFHVURJKSA-N 0 0 439.541 3.581 40 0 IHABRN CC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)C[C@H]3CCCCO3)o2)CC1 ZINC000257337750 568727830 /nfs/dbraw/zinc/72/78/30/568727830.db2.gz YUEPTSFTEQXHNP-RTBURBONSA-N 0 0 446.592 3.835 40 0 IHABRN COc1ccc2c(CN3CCO[C@H](c4cccc(Nc5cc(C)n(C)n5)n4)C3)cn(C)c2c1 ZINC000257338273 568728030 /nfs/dbraw/zinc/72/80/30/568728030.db2.gz YWSCQKWHAUNNQZ-QHCPKHFHSA-N 0 0 446.555 3.941 40 0 IHABRN Cc1ccccc1CC(=O)N1CCC2(CC1)c1ccccc1N(CC(C)C)S2(=O)=O ZINC000306128952 568765521 /nfs/dbraw/zinc/76/55/21/568765521.db2.gz HPBGCTHGLGZJFS-UHFFFAOYSA-N 0 0 426.582 3.861 40 0 IHABRN Fc1cccc(CN2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)c1 ZINC000306132233 568767063 /nfs/dbraw/zinc/76/70/63/568767063.db2.gz LCJBDDJSNSBFQB-DEOSSOPVSA-N 0 0 449.574 3.579 40 0 IHABRN C[C@@H]1C[C@@H]1C(=O)Nc1nn(Cc2ccccc2)c2nnc(-c3ccc4c(c3)OCO4)cc12 ZINC000306132377 568767110 /nfs/dbraw/zinc/76/71/10/568767110.db2.gz LGYZZSRGVKSFGF-PBHICJAKSA-N 0 0 427.464 3.865 40 0 IHABRN Cc1nc(C(=O)N2CCN(C)[C@H](c3nnn4cc(-c5ccc(C)cc5)ccc34)C2)cs1 ZINC000306140265 568771481 /nfs/dbraw/zinc/77/14/81/568771481.db2.gz UOOFROVFVYFIFD-NRFANRHFSA-N 0 0 432.553 3.599 40 0 IHABRN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cc(C)no5)C4)nn3c2)c1OC ZINC000306142297 568772610 /nfs/dbraw/zinc/77/26/10/568772610.db2.gz WVOGREQBONBYCW-QGZVFWFLSA-N 0 0 447.495 3.730 40 0 IHABRN CC(C)CC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 ZINC000306142217 568772749 /nfs/dbraw/zinc/77/27/49/568772749.db2.gz WTNBKQZQPULXJW-UHFFFAOYSA-N 0 0 448.629 3.915 40 0 IHABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)nc(NCCCO)n1 ZINC000329009655 568809275 /nfs/dbraw/zinc/80/92/75/568809275.db2.gz LWHOJOXMQUKCTR-UHFFFAOYSA-N 0 0 427.346 3.905 40 0 IHABRN Cc1c(F)cccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](C)CO)n1 ZINC000329024438 568809592 /nfs/dbraw/zinc/80/95/92/568809592.db2.gz OZVPEWVCJDQIBW-GFCCVEGCSA-N 0 0 436.409 3.870 40 0 IHABRN OCCCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)n1 ZINC000329030780 568809925 /nfs/dbraw/zinc/80/99/25/568809925.db2.gz QGMGKFBXEXXCBI-UHFFFAOYSA-N 0 0 431.256 3.517 40 0 IHABRN Cc1c(Br)cccc1Nc1cc(C(F)(F)F)nc(N[C@H](CO)C(C)C)n1 ZINC000329037547 568810039 /nfs/dbraw/zinc/81/00/39/568810039.db2.gz RORFVKRPUGSVGW-CYBMUJFWSA-N 0 0 433.272 3.583 40 0 IHABRN COc1ccc(Nc2cc(C(F)(F)F)nc(N[C@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000329070575 568811245 /nfs/dbraw/zinc/81/12/45/568811245.db2.gz ZHTSBLQCNDWODF-GFCCVEGCSA-N 0 0 438.372 3.539 40 0 IHABRN CC(C)(C)N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O ZINC000101435855 568836307 /nfs/dbraw/zinc/83/63/07/568836307.db2.gz BMQUXFUCWHHGEN-MHTWAQMVSA-N 0 0 449.938 3.962 40 0 IHABRN Cc1cc(-n2nc3cc(N)c(Br)cc3n2)c(C)cc1I ZINC000575414826 568862487 /nfs/dbraw/zinc/86/24/87/568862487.db2.gz VCMMSBZLYXUQIE-UHFFFAOYSA-N 0 0 443.086 3.987 40 0 IHABRN C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)o1 ZINC000016234072 568874159 /nfs/dbraw/zinc/87/41/59/568874159.db2.gz OYXLBXBTMWZMHT-QJWRSFSASA-N 0 0 427.932 3.853 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 ZINC000000676483 569180331 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WDTOLHCEBIVBFC-LJQANCHMSA-N 0 0 430.570 3.968 40 0 IHABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000009974797 569220652 /nfs/dbraw/zinc/22/06/52/569220652.db2.gz SQWOOJXIMFEXGV-IBGZPJMESA-N 0 0 430.570 3.968 40 0 IHABRN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 ZINC000009974735 569220717 /nfs/dbraw/zinc/22/07/17/569220717.db2.gz FPNKRXZENKLCTQ-LJQANCHMSA-N 0 0 430.570 3.914 40 0 IHABRN CCOc1ccccc1CCCNC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000010110944 569221145 /nfs/dbraw/zinc/22/11/45/569221145.db2.gz LBARPBURCKUYCE-UHFFFAOYSA-N 0 0 440.565 3.754 40 0 IHABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2Cl)cc1 ZINC000010128244 569221482 /nfs/dbraw/zinc/22/14/82/569221482.db2.gz MHICZSHPFZTYRY-QFIPXVFZSA-N 0 0 442.968 3.854 40 0 IHABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010360188 569223748 /nfs/dbraw/zinc/22/37/48/569223748.db2.gz FYOHMSMMYJBGLT-GOSISDBHSA-N 0 0 445.585 3.627 40 0 IHABRN 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132347889 /nfs/dbraw/zinc/34/78/89/132347889.db2.gz PJBJIWHNOAROTQ-QFIPXVFZSA-N 0 0 440.979 3.501 40 0 IHABRN Fc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000013504770 132348407 /nfs/dbraw/zinc/34/84/07/132348407.db2.gz KIIBPGAIKHKSSS-XMMPIXPASA-N 0 0 446.505 3.911 40 0 IHABRN Cc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013505044 132348622 /nfs/dbraw/zinc/34/86/22/132348622.db2.gz VFPDQHAAMXGWHO-QHCPKHFHSA-N 0 0 432.503 3.674 40 0 IHABRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C)c3)Oc3ccccc32)cc1 ZINC000013646040 132352406 /nfs/dbraw/zinc/35/24/06/132352406.db2.gz KDPMOEGCZQBOAY-HSZRJFAPSA-N 0 0 436.533 3.576 40 0 IHABRN CC(C)(C(=O)N1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)c1ccc(Cl)cc1 ZINC000012113696 518508746 /nfs/dbraw/zinc/50/87/46/518508746.db2.gz PESFZHBYDNVCKA-UHFFFAOYSA-N 0 0 428.964 3.683 40 0 IHABRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000016320885 519640712 /nfs/dbraw/zinc/64/07/12/519640712.db2.gz BCRWYSYNMUYWJF-UHFFFAOYSA-N 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ZINC000022232314 520196335 /nfs/dbraw/zinc/19/63/35/520196335.db2.gz KHSFYOZVTMYOTI-UHFFFAOYSA-N 0 0 438.977 3.991 40 0 IHABRN CCCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000022398304 520383918 /nfs/dbraw/zinc/38/39/18/520383918.db2.gz GQASTZQWHXSKHO-OAQYLSRUSA-N 0 0 434.558 3.518 40 0 IHABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(OC)c(O)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675911 520600927 /nfs/dbraw/zinc/60/09/27/520600927.db2.gz DYSGZBWSUQPSFT-NHCUHLMSSA-N 0 0 437.496 3.666 40 0 IHABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(O)c(OC)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675307 520601106 /nfs/dbraw/zinc/60/11/06/520601106.db2.gz WFXBVQPFNPKRNQ-NHCUHLMSSA-N 0 0 437.496 3.666 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022536153 521187947 /nfs/dbraw/zinc/18/79/47/521187947.db2.gz AUIYJWNBBVVWNL-LJQANCHMSA-N 0 0 432.586 3.899 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCCC2)cc1 ZINC000022271177 521205928 /nfs/dbraw/zinc/20/59/28/521205928.db2.gz GPJPVSAINNTVJA-QHCPKHFHSA-N 0 0 444.597 3.814 40 0 IHABRN CCOc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000035291373 521231127 /nfs/dbraw/zinc/23/11/27/521231127.db2.gz FMTLAURJUYWTHV-QHCPKHFHSA-N 0 0 434.588 3.734 40 0 IHABRN CCCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000035289904 521245495 /nfs/dbraw/zinc/24/54/95/521245495.db2.gz COROWWIUDGRCOB-OAQYLSRUSA-N 0 0 434.544 3.504 40 0 IHABRN CCOc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3C(=O)CC)cc2c1 ZINC000035313416 521285658 /nfs/dbraw/zinc/28/56/58/521285658.db2.gz QSFVKRFXBUQJTI-XMMPIXPASA-N 0 0 436.508 3.828 40 0 IHABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(I)cc1)cn2C ZINC000022237192 521295332 /nfs/dbraw/zinc/29/53/32/521295332.db2.gz ZUVPQMBNKSGEPN-UHFFFAOYSA-N 0 0 448.260 3.794 40 0 IHABRN CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871895 521346402 /nfs/dbraw/zinc/34/64/02/521346402.db2.gz CPOWDXGAHKLTEX-IBGZPJMESA-N 0 0 441.532 3.761 40 0 IHABRN 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ZINC000019761051 556904297 /nfs/dbraw/zinc/90/42/97/556904297.db2.gz WDBDPKUXASLLAP-HNNXBMFYSA-N 0 0 443.956 3.768 40 0 IHABRN CCN(CCC(=O)N1CC[C@H](c2cc(C(=O)NC)c3ccccc3n2)C1)c1ccc(F)cc1 ZINC000019760918 556904317 /nfs/dbraw/zinc/90/43/17/556904317.db2.gz STCZKCABDKSMGE-SFHVURJKSA-N 0 0 448.542 3.966 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1F ZINC000019761351 556904858 /nfs/dbraw/zinc/90/48/58/556904858.db2.gz WCWPJHHUDQSSCK-INIZCTEOSA-N 0 0 441.528 3.562 40 0 IHABRN CCN1CC[C@]2(C[C@H](NC(=O)c3ccc4c(c3)nc(C)n4C)c3ccccc3O2)CCC1=O ZINC000072327851 556904904 /nfs/dbraw/zinc/90/49/04/556904904.db2.gz AWGDJTGKRPJDBV-LVXARBLLSA-N 0 0 446.551 3.907 40 0 IHABRN CCN1CC[C@]2(C[C@@H](NC(=O)c3ccc4c(c3)nc(C)n4C)c3ccccc3O2)CCC1=O ZINC000072327853 556904910 /nfs/dbraw/zinc/90/49/10/556904910.db2.gz AWGDJTGKRPJDBV-RLWLMLJZSA-N 0 0 446.551 3.907 40 0 IHABRN COc1ccc(OC(=O)c2ccc(N3C(=O)c4nc5ccccc5nc4C3=O)cc2)cc1 ZINC000408976913 556906601 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556031337 /nfs/dbraw/zinc/03/13/37/556031337.db2.gz DIBNGYQCISFUGO-WOJBJXKFSA-N 0 0 432.476 3.555 40 0 IHABRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000408656611 556036574 /nfs/dbraw/zinc/03/65/74/556036574.db2.gz NMWNIGCCWVKQEU-ZBFHGGJFSA-N 0 0 445.313 3.541 40 0 IHABRN Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 ZINC000408657817 556039077 /nfs/dbraw/zinc/03/90/77/556039077.db2.gz PKHMSQBDFOLCKV-HNNXBMFYSA-N 0 0 434.414 3.857 40 0 IHABRN Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1 ZINC000408660246 556040134 /nfs/dbraw/zinc/04/01/34/556040134.db2.gz NFFPPAUTCXANDK-NHCUHLMSSA-N 0 0 434.492 3.779 40 0 IHABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000408660334 556040420 /nfs/dbraw/zinc/04/04/20/556040420.db2.gz NTSOYMOVOXEQBE-OYRHEFFESA-N 0 0 432.476 3.555 40 0 IHABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408660548 556040647 /nfs/dbraw/zinc/04/06/47/556040647.db2.gz AMVDLQMPMXHTJH-UHFFFAOYSA-N 0 0 440.496 3.771 40 0 IHABRN CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)c2)cc1 ZINC000408662200 556043326 /nfs/dbraw/zinc/04/33/26/556043326.db2.gz NHRSOLVBLQVZRY-USCONSEESA-N 0 0 448.519 3.970 40 0 IHABRN CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 ZINC000408658829 556043606 /nfs/dbraw/zinc/04/36/06/556043606.db2.gz IZSBISDJWMQSNZ-MAODMQOUSA-N 0 0 448.519 3.970 40 0 IHABRN CCCC[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000408663779 556046996 /nfs/dbraw/zinc/04/69/96/556046996.db2.gz OSNNWHVOSCDJNT-SFHVURJKSA-N 0 0 428.872 3.677 40 0 IHABRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000408663875 556047326 /nfs/dbraw/zinc/04/73/26/556047326.db2.gz PFSWFRQNKSADPI-UHFFFAOYSA-N 0 0 433.302 3.967 40 0 IHABRN CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)cc1 ZINC000408664061 556048299 /nfs/dbraw/zinc/04/82/99/556048299.db2.gz JADAWHBBXIYTPO-UHFFFAOYSA-N 0 0 426.469 3.544 40 0 IHABRN 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556066345 /nfs/dbraw/zinc/06/63/45/556066345.db2.gz SPBJFXSHQAGDQB-UHFFFAOYSA-N 0 0 448.585 3.723 40 0 IHABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C ZINC000408675454 556067847 /nfs/dbraw/zinc/06/78/47/556067847.db2.gz ZXNHNMHZGWJDAL-UHFFFAOYSA-N 0 0 434.558 3.880 40 0 IHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)c(C)c2)cc1 ZINC000408675607 556068203 /nfs/dbraw/zinc/06/82/03/556068203.db2.gz JNVVPANNMSYSTM-UHFFFAOYSA-N 0 0 444.484 3.961 40 0 IHABRN COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)cc1 ZINC000408685482 556085276 /nfs/dbraw/zinc/08/52/76/556085276.db2.gz QUPGZIPHRJSAAI-UHFFFAOYSA-N 0 0 434.448 3.995 40 0 IHABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000408687814 556086636 /nfs/dbraw/zinc/08/66/36/556086636.db2.gz VDSBOTYXHFZNPN-HXUWFJFHSA-N 0 0 430.508 3.789 40 0 IHABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)NC1CCCCC1 ZINC000408689878 556090068 /nfs/dbraw/zinc/09/00/68/556090068.db2.gz ZGXKTBHMOYIISN-UHFFFAOYSA-N 0 0 436.961 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556512250 /nfs/dbraw/zinc/51/22/50/556512250.db2.gz LECPAZFXZRRUJC-GFCCVEGCSA-N 0 0 431.341 3.645 40 0 IHABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 ZINC000030939271 556515880 /nfs/dbraw/zinc/51/58/80/556515880.db2.gz ZYHJGYKMGPWYBX-UHFFFAOYSA-N 0 0 426.542 3.523 40 0 IHABRN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(Cc2c(C)nn(CC)c2C)CC1 ZINC000036616141 556516066 /nfs/dbraw/zinc/51/60/66/556516066.db2.gz BELDTIULTLKTFD-UHFFFAOYSA-N 0 0 449.603 3.510 40 0 IHABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000030943942 556516951 /nfs/dbraw/zinc/51/69/51/556516951.db2.gz ZEMSJMNFFRLGPJ-HTAPYJJXSA-N 0 0 444.597 3.649 40 0 IHABRN CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)Cn4ccc(C)n4)c32)c1C ZINC000036619409 556524214 /nfs/dbraw/zinc/52/42/14/556524214.db2.gz BYVNTQCWVVNWNO-AWEZNQCLSA-N 0 0 433.516 3.615 40 0 IHABRN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000031903680 556527777 /nfs/dbraw/zinc/52/77/77/556527777.db2.gz 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COc1ccc(Cn2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)cc1OC ZINC000040398085 556640022 /nfs/dbraw/zinc/64/00/22/556640022.db2.gz GQLXYXPFQYEFRL-UHFFFAOYSA-N 0 0 447.882 3.825 40 0 IHABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc1C ZINC000040399260 556641809 /nfs/dbraw/zinc/64/18/09/556641809.db2.gz DWBRZHDGQKMDGL-INIZCTEOSA-N 0 0 437.887 3.848 40 0 IHABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c(Cl)c1 ZINC000040399771 556642363 /nfs/dbraw/zinc/64/23/63/556642363.db2.gz APQBOVGWUWTMPO-CYBMUJFWSA-N 0 0 441.850 3.679 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000044846866 556669644 /nfs/dbraw/zinc/66/96/44/556669644.db2.gz GDRKYAGSTAEOOO-INIZCTEOSA-N 0 0 434.533 3.746 40 0 IHABRN COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cn(CCN3CCOCC3)c21 ZINC000013519813 556674475 /nfs/dbraw/zinc/67/44/75/556674475.db2.gz VQGDMQICNRCQEH-UFKXBGGNSA-N 0 0 439.600 3.927 40 0 in-vitro IHABRN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 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MEPPPUFWARUOGX-HNNXBMFYSA-N 0 0 438.355 3.958 40 0 IHABRN CCOc1cc(NC(=O)c2cnccn2)c(OCC)cc1NC(=O)c1ccc(OC)cc1 ZINC000000881465 556733262 /nfs/dbraw/zinc/73/32/62/556733262.db2.gz KAYKMHOMISDWGU-UHFFFAOYSA-N 0 0 436.468 3.787 40 0 IHABRN O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000019335134 556738325 /nfs/dbraw/zinc/73/83/25/556738325.db2.gz LZGMTTYEQMHYSA-ACRUOGEOSA-N 0 0 448.585 3.693 40 0 IHABRN Fc1ccc(-c2cnc3c(c2)[C@H](N2CCOCC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019336708 556738558 /nfs/dbraw/zinc/73/85/58/556738558.db2.gz SMLHDIOIKQAMSV-JOCHJYFZSA-N 0 0 446.511 3.885 40 0 IHABRN NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc3ncccc32)C1 ZINC000019348443 556743894 /nfs/dbraw/zinc/74/38/94/556743894.db2.gz ZNHAGOUZBHRXQH-HHHXNRCGSA-N 0 0 436.515 3.857 40 0 IHABRN O=C(c1cc2c(s1)CCCC2)N1CCO[C@@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000019349718 556744732 /nfs/dbraw/zinc/74/47/32/556744732.db2.gz QKDZNFNNEPBVDV-QGZVFWFLSA-N 0 0 427.501 3.954 40 0 IHABRN Cc1cc(C)cc(S(=O)(=O)N2CCC3(CC2)OCC[C@@H]3CCOCc2ccccn2)c1 ZINC000575402684 556745858 /nfs/dbraw/zinc/74/58/58/556745858.db2.gz FINMOUXIONWSSG-NRFANRHFSA-N 0 0 444.597 3.865 40 0 IHABRN O=C(c1cccc(Oc2ncccn2)c1)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000019368181 556746414 /nfs/dbraw/zinc/74/64/14/556746414.db2.gz SHVMURZYISLTQF-NBGIEHNGSA-N 0 0 446.482 3.687 40 0 IHABRN O=C(c1ccccc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(C(=O)c3ccccn3)CC[C@@H]21 ZINC000019368977 556746834 /nfs/dbraw/zinc/74/68/34/556746834.db2.gz RNAJEJKRRQISDH-FIXSFTCYSA-N 0 0 429.495 3.991 40 0 IHABRN NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CCc2ccccc2)CCO1 ZINC000019370837 556748504 /nfs/dbraw/zinc/74/85/04/556748504.db2.gz XNZLKQHDVROJGS-MHZLTWQESA-N 0 0 428.532 3.612 40 0 IHABRN O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 ZINC000019400122 556752752 /nfs/dbraw/zinc/75/27/52/556752752.db2.gz PRVBXUWJYIPEBS-HXUWFJFHSA-N 0 0 435.553 3.564 40 0 IHABRN COc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 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556795475 /nfs/dbraw/zinc/79/54/75/556795475.db2.gz BXKBWOVMOYSHIV-UHFFFAOYSA-N 0 0 425.510 3.535 40 0 IHABRN COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c1 ZINC000019551060 556795713 /nfs/dbraw/zinc/79/57/13/556795713.db2.gz ISMBSMWBKQHXDQ-GOSISDBHSA-N 0 0 425.510 3.883 40 0 IHABRN O=C(c1ccccc1F)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc32)CC1 ZINC000001379889 556796149 /nfs/dbraw/zinc/79/61/49/556796149.db2.gz SMYCFSYBJVPTSG-UHFFFAOYSA-N 0 0 437.475 3.994 40 0 IHABRN COc1ccc(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c(OC)c1 ZINC000001380390 556796635 /nfs/dbraw/zinc/79/66/35/556796635.db2.gz XASOAHOJKBTNMY-UHFFFAOYSA-N 0 0 426.492 3.777 40 0 IHABRN COc1ccc(CC(=O)N2CC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)cc1 ZINC000019554041 556797817 /nfs/dbraw/zinc/79/78/17/556797817.db2.gz YQTIDWKTXUGBCY-VWLOTQADSA-N 0 0 434.561 3.913 40 0 IHABRN C=Cn1ncc(C[NH+]2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c1C ZINC000019554342 556797833 /nfs/dbraw/zinc/79/78/33/556797833.db2.gz ZHWYYOBTIQJROH-GOSISDBHSA-N 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556814243 /nfs/dbraw/zinc/81/42/43/556814243.db2.gz NCBICIJVIVOHEQ-GJZGRUSLSA-N 0 0 435.459 3.584 40 0 IHABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 ZINC000019579319 556816911 /nfs/dbraw/zinc/81/69/11/556816911.db2.gz AFBKOKRPRKOZLR-SANMLTNESA-N 0 0 428.536 3.697 40 0 IHABRN COc1ccc(NC(=S)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000004127418 556819028 /nfs/dbraw/zinc/81/90/28/556819028.db2.gz PTBDMXHEWUMXFE-UHFFFAOYSA-N 0 0 425.554 3.735 40 0 IHABRN CSCC[C@@H](NC(=O)c1c(C)n(C)c2ccccc21)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019581761 556819834 /nfs/dbraw/zinc/81/98/34/556819834.db2.gz HZZHINLKDBDQAZ-QGZVFWFLSA-N 0 0 447.564 3.856 40 0 IHABRN COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584388 556821534 /nfs/dbraw/zinc/82/15/34/556821534.db2.gz GENCARIFXVMABL-GOSISDBHSA-N 0 0 447.539 3.642 40 0 IHABRN COc1cccc(C(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1OC ZINC000019584404 556821983 /nfs/dbraw/zinc/82/19/83/556821983.db2.gz 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/nfs/dbraw/zinc/35/04/06/557350406.db2.gz WQJXJFJOTXVUGV-UHFFFAOYSA-N 0 0 439.002 3.933 40 0 IHABRN Cc1cc(C)cc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000044791244 557350926 /nfs/dbraw/zinc/35/09/26/557350926.db2.gz XHGIWCIQJIDTBW-UHFFFAOYSA-N 0 0 425.348 3.779 40 0 IHABRN Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000013556774 557351478 /nfs/dbraw/zinc/35/14/78/557351478.db2.gz BSJZAFCNFSZZDF-LJQANCHMSA-N 0 0 425.554 3.794 40 0 IHABRN COc1cc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)ccc1OC(C)C ZINC000222558687 557351952 /nfs/dbraw/zinc/35/19/52/557351952.db2.gz PLYBMPMDJDLBGQ-UHFFFAOYSA-N 0 0 448.585 3.653 40 0 IHABRN COc1cc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c(OC)cc1Cl ZINC000222570046 557353937 /nfs/dbraw/zinc/35/39/37/557353937.db2.gz HADKKLILCYPUCO-UHFFFAOYSA-N 0 0 438.933 3.848 40 0 IHABRN Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1N1CCCCS1(=O)=O ZINC000222573946 557354539 /nfs/dbraw/zinc/35/45/39/557354539.db2.gz VCVYZRHKHIJGKM-IBGZPJMESA-N 0 0 428.554 3.957 40 0 IHABRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1/C=C/c1ccccc1 ZINC000013597521 557356705 /nfs/dbraw/zinc/35/67/05/557356705.db2.gz XPPRYOYKKOSLAZ-DYFCSSJVSA-N 0 0 430.541 3.956 40 0 IHABRN COc1cccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000222590529 557357331 /nfs/dbraw/zinc/35/73/31/557357331.db2.gz BUIFEBMXNGUTES-UHFFFAOYSA-N 0 0 444.597 3.723 40 0 IHABRN CC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(OC)c(OC)c1 ZINC000222591894 557357700 /nfs/dbraw/zinc/35/77/00/557357700.db2.gz FIWIQPNWMAJSKL-IBGZPJMESA-N 0 0 432.542 3.515 40 0 IHABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000222609626 557361201 /nfs/dbraw/zinc/36/12/01/557361201.db2.gz JMXASKFJIHAUQV-MRXNPFEDSA-N 0 0 436.961 3.802 40 0 IHABRN CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222633751 557365822 /nfs/dbraw/zinc/36/58/22/557365822.db2.gz ZDXCJLSTHNFYSW-IBGZPJMESA-N 0 0 442.537 3.930 40 0 IHABRN CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000222636152 557366506 /nfs/dbraw/zinc/36/65/06/557366506.db2.gz SHZGOISBLMCHHJ-UHFFFAOYSA-N 0 0 446.569 3.973 40 0 IHABRN CCc1ccc(N(CCCC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000222646804 557367992 /nfs/dbraw/zinc/36/79/92/557367992.db2.gz LEKLPHDMFVCIQC-UHFFFAOYSA-N 0 0 432.586 3.553 40 0 IHABRN CCOc1ccc(CCCNC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 ZINC000222648742 557368157 /nfs/dbraw/zinc/36/81/57/557368157.db2.gz DCJORICWEPONEO-UHFFFAOYSA-N 0 0 446.613 3.943 40 0 IHABRN COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000222675148 557372370 /nfs/dbraw/zinc/37/23/70/557372370.db2.gz GNQRORMCQYAJGX-UHFFFAOYSA-N 0 0 440.521 3.846 40 0 IHABRN CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000222680920 557373163 /nfs/dbraw/zinc/37/31/63/557373163.db2.gz MKVXSXPEPSWCJH-UHFFFAOYSA-N 0 0 444.931 3.913 40 0 IHABRN COC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000113887708 557378456 /nfs/dbraw/zinc/37/84/56/557378456.db2.gz VVLAZIVUNVEDGC-UHFFFAOYSA-N 0 0 425.787 3.866 40 0 IHABRN CC[C@@H](NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000113961333 557381900 /nfs/dbraw/zinc/38/19/00/557381900.db2.gz SMOQSYUEULAPTO-OAQYLSRUSA-N 0 0 434.558 3.518 40 0 IHABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1cccc2ccccc21 ZINC000222759212 557383576 /nfs/dbraw/zinc/38/35/76/557383576.db2.gz DOQPKSPSMHWFRD-UHFFFAOYSA-N 0 0 440.565 3.778 40 0 IHABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000113971531 557384444 /nfs/dbraw/zinc/38/44/44/557384444.db2.gz OJSRHPAPIRLMLH-CRAIPNDOSA-N 0 0 438.952 3.898 40 0 IHABRN COc1ccccc1[C@@H]1CC(=O)c2c[nH]c3nn(-c4nc5ccccc5o4)c(=O)c-3c2C1 ZINC000013639647 557384959 /nfs/dbraw/zinc/38/49/59/557384959.db2.gz CYWHXCJKFYJZRH-ZDUSSCGKSA-N 0 0 426.432 3.776 40 0 IHABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)[nH]c(C)c1I ZINC000222771452 557385082 /nfs/dbraw/zinc/38/50/82/557385082.db2.gz BLQYADSGQIHPOM-LSDHHAIUSA-N 0 0 426.327 3.624 40 0 IHABRN CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000072351338 557385365 /nfs/dbraw/zinc/38/53/65/557385365.db2.gz REXUOGIUQJRUAM-VWLOTQADSA-N 0 0 443.547 3.602 40 0 IHABRN CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000072351337 557385382 /nfs/dbraw/zinc/38/53/82/557385382.db2.gz REXUOGIUQJRUAM-RUZDIDTESA-N 0 0 443.547 3.602 40 0 IHABRN COc1ccc(CC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2ccncc2)cc1C ZINC000072351331 557385425 /nfs/dbraw/zinc/38/54/25/557385425.db2.gz MXROVCZJUXXNSG-DEOSSOPVSA-N 0 0 443.547 3.520 40 0 IHABRN COc1ccccc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1ccccc1-c1ccccc1OC ZINC000072351479 557385711 /nfs/dbraw/zinc/38/57/11/557385711.db2.gz FDPQHNFYXXHCJO-HSZRJFAPSA-N 0 0 444.531 3.896 40 0 IHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000222781659 557386483 /nfs/dbraw/zinc/38/64/83/557386483.db2.gz VBKTYAAYKKGOQC-CQSZACIVSA-N 0 0 438.952 3.884 40 0 IHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000222781722 557386583 /nfs/dbraw/zinc/38/65/83/557386583.db2.gz VBKTYAAYKKGOQC-AWEZNQCLSA-N 0 0 438.952 3.884 40 0 IHABRN CCN1CCN(C(=O)Cc2cccnc2)[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O ZINC000072351451 557387120 /nfs/dbraw/zinc/38/71/20/557387120.db2.gz QPWAYRJRRCFBQI-RUZDIDTESA-N 0 0 443.547 3.602 40 0 IHABRN CCN1CCN(C(=O)c2ccccn2)[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O ZINC000072351447 557387132 /nfs/dbraw/zinc/38/71/32/557387132.db2.gz GDZXFVYMGGTQST-XMMPIXPASA-N 0 0 429.520 3.673 40 0 IHABRN CC(C)C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 ZINC000222807582 557388929 /nfs/dbraw/zinc/38/89/29/557388929.db2.gz QAYKGJBDCVHTRW-QGZVFWFLSA-N 0 0 430.555 3.856 40 0 IHABRN CCc1ccc(CC)c(CNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 ZINC000222836693 557391860 /nfs/dbraw/zinc/39/18/60/557391860.db2.gz ZMTVVSMWQROPFY-UHFFFAOYSA-N 0 0 432.586 3.683 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1ccccc1Br ZINC000222840339 557392362 /nfs/dbraw/zinc/39/23/62/557392362.db2.gz HOVRYFBTDKTKIK-UHFFFAOYSA-N 0 0 447.354 3.685 40 0 IHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)c(Cl)c1 ZINC000222840642 557392394 /nfs/dbraw/zinc/39/23/94/557392394.db2.gz JVZJPBPGEPGISZ-UHFFFAOYSA-N 0 0 442.940 3.595 40 0 IHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222844975 557393063 /nfs/dbraw/zinc/39/30/63/557393063.db2.gz NMXQHIJDWBKNQD-NRFANRHFSA-N 0 0 440.540 3.689 40 0 IHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000222882781 557397698 /nfs/dbraw/zinc/39/76/98/557397698.db2.gz JASPNPNDLVKCTJ-VWLOTQADSA-N 0 0 446.547 3.769 40 0 IHABRN CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)c(Br)c1 ZINC000222906130 557401190 /nfs/dbraw/zinc/40/11/90/557401190.db2.gz VZRSZUUXGGYDOS-INIZCTEOSA-N 0 0 447.373 3.596 40 0 IHABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCC(N)=O)cc1)S[C@@H](C)C(=O)N2 ZINC000013995323 557401701 /nfs/dbraw/zinc/40/17/01/557401701.db2.gz SFKAYYBHHWYTNG-BTYIYWSLSA-N 0 0 436.537 3.516 40 0 IHABRN COc1ccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000222927303 557404107 /nfs/dbraw/zinc/40/41/07/557404107.db2.gz NHEATAPWOJQRGV-UHFFFAOYSA-N 0 0 432.542 3.545 40 0 IHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222926966 557404178 /nfs/dbraw/zinc/40/41/78/557404178.db2.gz JQBFRSSHHIRRBG-MRXNPFEDSA-N 0 0 432.948 3.843 40 0 IHABRN CCc1ccc(CC)c(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 ZINC000222929756 557404548 /nfs/dbraw/zinc/40/45/48/557404548.db2.gz MQIQDXLQRAWHMU-UHFFFAOYSA-N 0 0 444.582 3.702 40 0 IHABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCCC1 ZINC000222939707 557406078 /nfs/dbraw/zinc/40/60/78/557406078.db2.gz RFMHTEOCHUZXCZ-QGZVFWFLSA-N 0 0 442.581 3.850 40 0 IHABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222952454 557407684 /nfs/dbraw/zinc/40/76/84/557407684.db2.gz QINHNMAQIXGZOR-IBGZPJMESA-N 0 0 447.373 3.998 40 0 IHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222958189 557408104 /nfs/dbraw/zinc/40/81/04/557408104.db2.gz KGNXEKADVAEVJK-SFHVURJKSA-N 0 0 442.556 3.589 40 0 IHABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC)cc1OCC ZINC000222957526 557408237 /nfs/dbraw/zinc/40/82/37/557408237.db2.gz FWBQTNYPTFNFSZ-OAQYLSRUSA-N 0 0 426.557 3.970 40 0 IHABRN CCCSc1nnc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 ZINC000222962492 557408723 /nfs/dbraw/zinc/40/87/23/557408723.db2.gz BTPVRQUIAOHAKX-UHFFFAOYSA-N 0 0 442.632 3.842 40 0 IHABRN COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222985323 557411934 /nfs/dbraw/zinc/41/19/34/557411934.db2.gz BSIGLBBFHOOURX-ROUUACIJSA-N 0 0 444.597 3.914 40 0 IHABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000222997681 557413645 /nfs/dbraw/zinc/41/36/45/557413645.db2.gz WEIFEKBELHWITO-VGSWGCGISA-N 0 0 444.959 3.604 40 0 IHABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000223002427 557414136 /nfs/dbraw/zinc/41/41/36/557414136.db2.gz CAOCTEZWBRVWPU-KRWDZBQOSA-N 0 0 444.597 3.634 40 0 IHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223024239 557416656 /nfs/dbraw/zinc/41/66/56/557416656.db2.gz GCBMRVATUYJIPY-OAHLLOKOSA-N 0 0 433.346 3.554 40 0 IHABRN COC(=O)c1cccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)c1 ZINC000014137206 557423070 /nfs/dbraw/zinc/42/30/70/557423070.db2.gz STHFDLRPLVGUFP-UHFFFAOYSA-N 0 0 425.432 3.892 40 0 IHABRN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c(Br)c1 ZINC000223061675 557423775 /nfs/dbraw/zinc/42/37/75/557423775.db2.gz KIZFBXNOFVEPDB-UHFFFAOYSA-N 0 0 439.375 3.942 40 0 IHABRN COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223062295 557424041 /nfs/dbraw/zinc/42/40/41/557424041.db2.gz LJGBQALFHRAFDH-RUZDIDTESA-N 0 0 430.548 3.632 40 0 IHABRN Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccco2)cc1Cl ZINC000014165481 557425279 /nfs/dbraw/zinc/42/52/79/557425279.db2.gz BGYZYPSRCPPAAE-OKZBNKHCSA-N 0 0 429.904 3.522 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223070018 557425749 /nfs/dbraw/zinc/42/57/49/557425749.db2.gz ICXPOPQBJVKEHZ-INIZCTEOSA-N 0 0 447.373 3.944 40 0 IHABRN Cc1ccccc1CSCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014154931 557426518 /nfs/dbraw/zinc/42/65/18/557426518.db2.gz PGVVFOHTYUAZDF-INIZCTEOSA-N 0 0 441.018 3.853 40 0 IHABRN CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 ZINC000014155911 557427688 /nfs/dbraw/zinc/42/76/88/557427688.db2.gz FNOAWMBHRSGYFZ-UHFFFAOYSA-N 0 0 444.553 3.520 40 0 IHABRN COc1ccc(C(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@@H]2C)cc1C ZINC000223109933 557432977 /nfs/dbraw/zinc/43/29/77/557432977.db2.gz KCPZWFBWLGNOEW-KRWDZBQOSA-N 0 0 428.554 3.770 40 0 IHABRN CN(Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1)S(C)(=O)=O ZINC000014397951 557435810 /nfs/dbraw/zinc/43/58/10/557435810.db2.gz TYOGPENBQLORNE-UHFFFAOYSA-N 0 0 440.521 3.888 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)N1CCC(C)CC1 ZINC000014399063 557436476 /nfs/dbraw/zinc/43/64/76/557436476.db2.gz RLJKHRSUQFWJAO-UHFFFAOYSA-N 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524912269 /nfs/dbraw/zinc/91/22/69/524912269.db2.gz ZPTOIEYPXZNGQU-QGZVFWFLSA-N 0 0 437.521 3.862 40 0 IHABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000022536762 524970697 /nfs/dbraw/zinc/97/06/97/524970697.db2.gz QWDRDLXEOLIHQF-KRWDZBQOSA-N 0 0 442.512 3.560 40 0 IHABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC4CC4)cc3c2)cc1C ZINC000020447958 525005989 /nfs/dbraw/zinc/00/59/89/525005989.db2.gz IVIHXGQFXJLYJG-UHFFFAOYSA-N 0 0 430.551 3.936 40 0 IHABRN Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000020456457 525012091 /nfs/dbraw/zinc/01/20/91/525012091.db2.gz ACVWNCJSYKIQHQ-UHFFFAOYSA-N 0 0 434.277 3.974 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000022361837 525149939 /nfs/dbraw/zinc/14/99/39/525149939.db2.gz CHZFWHKAIOZSBU-UHFFFAOYSA-N 0 0 433.332 3.648 40 0 IHABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000018891799 525232806 /nfs/dbraw/zinc/23/28/06/525232806.db2.gz NMXQRSNCKKEYMH-KRWDZBQOSA-N 0 0 444.553 3.514 40 0 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525551622 /nfs/dbraw/zinc/55/16/22/525551622.db2.gz HGQXDEGEGJBZDK-UHFFFAOYSA-N 0 0 431.492 3.814 40 0 IHABRN COc1cccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2ccncc2)c1 ZINC000035291688 525749285 /nfs/dbraw/zinc/74/92/85/525749285.db2.gz SGPGJTJXQUCBBM-UHFFFAOYSA-N 0 0 438.538 3.834 40 0 IHABRN COc1cccc(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000022342275 525885603 /nfs/dbraw/zinc/88/56/03/525885603.db2.gz NFEAEUQRCMXXPM-UHFFFAOYSA-N 0 0 445.368 3.517 40 0 IHABRN COc1cccc(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 ZINC000022334816 525886417 /nfs/dbraw/zinc/88/64/17/525886417.db2.gz WPHGCBFGOHWQOW-UHFFFAOYSA-N 0 0 445.368 3.517 40 0 IHABRN C[C@H](C(=O)N1CCCCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467204 525963954 /nfs/dbraw/zinc/96/39/54/525963954.db2.gz LUWNCOZCVGMMHG-GRHOEMPPSA-N 0 0 441.616 3.652 40 0 biogenic,in-vitro IHABRN C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467040 525964225 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CUJPCRRURTVTEK-IBGZPJMESA-N 0 0 430.570 3.796 40 0 IHABRN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nn(CC(C)C)c3ncccc23)c(=O)[nH]1 ZINC000012236331 526211803 /nfs/dbraw/zinc/21/18/03/526211803.db2.gz NLFYLXOISQEQHX-OAQYLSRUSA-N 0 0 429.524 3.798 40 0 IHABRN Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000012222928 526609013 /nfs/dbraw/zinc/60/90/13/526609013.db2.gz WEMYKLVCASPIDI-UHFFFAOYSA-N 0 0 433.537 3.531 40 0 IHABRN Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000072348298 526630365 /nfs/dbraw/zinc/63/03/65/526630365.db2.gz VHUCUWMKVUYJEI-UHFFFAOYSA-N 0 0 435.871 3.728 40 0 IHABRN O=C(NCc1ccc2c(c1)OCO2)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000022516980 526699962 /nfs/dbraw/zinc/69/99/62/526699962.db2.gz PSMPUTRJMFILEP-UHFFFAOYSA-N 0 0 444.896 3.800 40 0 IHABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)Nc1ccc(F)cc1F ZINC000022389773 526703751 /nfs/dbraw/zinc/70/37/51/526703751.db2.gz SFLSGHMLZSEWPG-UHFFFAOYSA-N 0 0 426.441 3.999 40 0 IHABRN O=C(NCc1ccccc1)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012870039 526736309 /nfs/dbraw/zinc/73/63/09/526736309.db2.gz IBOHGMZACRSQLS-HXUWFJFHSA-N 0 0 436.468 3.975 40 0 IHABRN O=C(CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O)NCCc1ccccc1 ZINC000012113602 526823272 /nfs/dbraw/zinc/82/32/72/526823272.db2.gz LFEPWQRPSLDHKY-UHFFFAOYSA-N 0 0 442.544 3.922 40 0 IHABRN Cn1c2nnc(CN3CCc4sccc4[C@@H]3c3cccs3)n2c2ccccc2c1=O ZINC000021584923 527127099 /nfs/dbraw/zinc/12/70/99/527127099.db2.gz LZXWJLCITMINHJ-HXUWFJFHSA-N 0 0 433.562 3.852 40 0 IHABRN O=C(Cc1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(NC(=O)C3CCCCC3)ccc12 ZINC000004277684 527301352 /nfs/dbraw/zinc/30/13/52/527301352.db2.gz KLLLKKSVQQJVAY-FUHWJXTLSA-N 0 0 439.581 3.617 40 0 biogenic,in-vitro IHABRN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1ccccc1-c1ccccc1 ZINC000012881465 527412062 /nfs/dbraw/zinc/41/20/62/527412062.db2.gz HDJLULLNPFMDQY-UHFFFAOYSA-N 0 0 439.471 3.987 40 0 IHABRN O=C(N1CCC2(C[C@](O)(c3nccs3)CO2)CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000012184892 527437525 /nfs/dbraw/zinc/43/75/25/527437525.db2.gz STRFPBRNIRPJGV-JOCHJYFZSA-N 0 0 432.973 3.888 40 0 IHABRN CCOc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013503997 535417085 /nfs/dbraw/zinc/41/70/85/535417085.db2.gz PNZNKFPDALSJQZ-QFIPXVFZSA-N 0 0 438.551 3.878 40 0 IHABRN COc1cccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccc(F)cc3)CC2)c1 ZINC000013503856 537124742 /nfs/dbraw/zinc/12/47/42/537124742.db2.gz BTNXDIGWNJMBOJ-QHCPKHFHSA-N 0 0 436.535 3.848 40 0 IHABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2OC)=N[C@@H]1c1ccccc1 ZINC000034688215 555506476 /nfs/dbraw/zinc/50/64/76/555506476.db2.gz DYILDAOYHAUFBP-OAQYLSRUSA-N 0 0 439.537 3.905 40 0 IHABRN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000001016096 555602537 /nfs/dbraw/zinc/60/25/37/555602537.db2.gz WVNCDUZRRXKLQQ-UHFFFAOYSA-N 0 0 443.547 3.744 40 0 IHABRN CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000001329690 555690341 /nfs/dbraw/zinc/69/03/41/555690341.db2.gz XGVRCRHGWFLUCI-UHFFFAOYSA-N 0 0 446.554 3.846 40 0 IHABRN CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(Cc2ccccc2)CC1 ZINC000001337543 555690940 /nfs/dbraw/zinc/69/09/40/555690940.db2.gz RNKWFQMHBVCLTE-DEOSSOPVSA-N 0 0 441.583 3.884 40 0 IHABRN CC(=O)c1nn(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000035045741 555705985 /nfs/dbraw/zinc/70/59/85/555705985.db2.gz YBRGBAURKIDORR-HKUYNNGSSA-N 0 0 430.291 3.933 40 0 IHABRN COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(OC(C)=O)c3ccccc3C2c2ccccc21 ZINC000001639515 555707634 /nfs/dbraw/zinc/70/76/34/555707634.db2.gz WGLJYSRWLJTYLN-PGAZUGQPSA-N 0 0 439.467 3.767 40 0 IHABRN NC(=S)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000001641960 555707876 /nfs/dbraw/zinc/70/78/76/555707876.db2.gz IJQQZLKNYUBSBS-CYBMUJFWSA-N 0 0 429.295 3.536 40 0 IHABRN CCCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000408526418 555715656 /nfs/dbraw/zinc/71/56/56/555715656.db2.gz BEUDLQUGJATSON-UHFFFAOYSA-N 0 0 432.586 3.543 40 0 IHABRN COC(=O)COc1c(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cccc1OC ZINC000408531185 555730091 /nfs/dbraw/zinc/73/00/91/555730091.db2.gz MLGJZNQTKHOZOY-QGOAFFKASA-N 0 0 427.478 3.526 40 0 IHABRN COc1ccc(OC)c(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)no2)c1 ZINC000002465617 555783202 /nfs/dbraw/zinc/78/32/02/555783202.db2.gz NFXVZMSTVMQFPX-UHFFFAOYSA-N 0 0 427.482 3.650 40 0 IHABRN Cc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408544357 555792087 /nfs/dbraw/zinc/79/20/87/555792087.db2.gz HBJVVYZCXFNWCT-UHFFFAOYSA-N 0 0 438.977 3.775 40 0 IHABRN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000002674882 555797775 /nfs/dbraw/zinc/79/77/75/555797775.db2.gz KFLXUKVWTMHYAQ-UHFFFAOYSA-N 0 0 432.523 3.659 40 0 IHABRN COC(=O)C1=C(C)N=C2SC(C(=O)Nc3ccccc3)=CC(=O)N2[C@H]1c1cccs1 ZINC000002728165 555803413 /nfs/dbraw/zinc/80/34/13/555803413.db2.gz XMHWIXXNFRRRNC-SFHVURJKSA-N 0 0 439.518 3.704 40 0 IHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000408549290 555829151 /nfs/dbraw/zinc/82/91/51/555829151.db2.gz SCAXFVITDABWNI-CXUHLZMHSA-N 0 0 435.263 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CCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000019527312 556785466 /nfs/dbraw/zinc/78/54/66/556785466.db2.gz FHMGLNWWBJOUJR-HSZRJFAPSA-N 0 0 430.552 3.559 40 0 IHABRN CCN1CC[C@@]2(C[C@@H](NC(=O)Cn3c(C)nc4ccccc43)c3ccccc3O2)CCC1=O ZINC000019527090 556785469 /nfs/dbraw/zinc/78/54/69/556785469.db2.gz XZRDJNAXXGIBED-QFQXNSOFSA-N 0 0 446.551 3.756 40 0 IHABRN COc1cccc(OC)c1C(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000001359108 556786186 /nfs/dbraw/zinc/78/61/86/556786186.db2.gz WRRNLPJNMUMFHV-UHFFFAOYSA-N 0 0 447.466 3.922 40 0 IHABRN COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2cccc(F)c2)cc1 ZINC000001359082 556786233 /nfs/dbraw/zinc/78/62/33/556786233.db2.gz YDBOPTXUOWKLME-UHFFFAOYSA-N 0 0 431.467 3.956 40 0 IHABRN CCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O ZINC000019527533 556786270 /nfs/dbraw/zinc/78/62/70/556786270.db2.gz ZUISQSJLEPMEMS-QFIPXVFZSA-N 0 0 430.552 3.559 40 0 IHABRN CCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000019527627 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CTCUCUQCOHLCCX-AREMUKBSSA-N 0 0 445.567 3.806 40 0 IHABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)C2CCCCC2)CCO1 ZINC000019529236 556790632 /nfs/dbraw/zinc/79/06/32/556790632.db2.gz CXEVOGCECGGYPL-AREMUKBSSA-N 0 0 435.568 3.605 40 0 IHABRN NC(=O)c1c(NC(=O)CN(C(=O)c2cccs2)C2CCCC2)sc2c1CCCC2 ZINC000001368287 556792416 /nfs/dbraw/zinc/79/24/16/556792416.db2.gz UPPRJTWJCKSXSM-UHFFFAOYSA-N 0 0 431.583 3.811 40 0 IHABRN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000001368294 556792453 /nfs/dbraw/zinc/79/24/53/556792453.db2.gz SICPRSODMGTJDS-CALCHBBNSA-N 0 0 428.620 3.591 40 0 IHABRN CC(C)(C)C(=O)N(CCc1ccccc1)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000001368316 556792473 /nfs/dbraw/zinc/79/24/73/556792473.db2.gz WIBFIQSNEFRSOK-UHFFFAOYSA-N 0 0 441.597 3.782 40 0 IHABRN CCOc1ccc(CC(=O)N2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)cc1 ZINC000019532809 556792853 /nfs/dbraw/zinc/79/28/53/556792853.db2.gz QKIXKZWGAGSYNZ-UHFFFAOYSA-N 0 0 445.567 3.952 40 0 IHABRN Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C(C)C)cc1 ZINC000001376327 556793584 /nfs/dbraw/zinc/79/35/84/556793584.db2.gz NJZNHHCXHDFGBJ-DEOSSOPVSA-N 0 0 445.523 3.627 40 0 IHABRN COc1cc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc(OC)c1OC ZINC000019549785 556794933 /nfs/dbraw/zinc/79/49/33/556794933.db2.gz VADRTYNBJVGEHA-LJQANCHMSA-N 0 0 436.512 3.997 40 0 IHABRN COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c1 ZINC000019551062 556795654 /nfs/dbraw/zinc/79/56/54/556795654.db2.gz ISMBSMWBKQHXDQ-SFHVURJKSA-N 0 0 425.510 3.883 40 0 IHABRN O=C(NC1CCCCC1)[C@H](c1ccncc1)N(CCc1ccccc1)C(=O)c1csnn1 ZINC000001378479 556795684 /nfs/dbraw/zinc/79/56/84/556795684.db2.gz VCEVLTPARFDPKQ-QFIPXVFZSA-N 0 0 449.580 3.808 40 0 IHABRN COc1ccc(C2(C(=O)N3C[C@@H](c4cccc(OC)c4)[C@]4(C3)CCCCC(=O)N4)CC2)cc1 ZINC000019553631 556797372 /nfs/dbraw/zinc/79/73/72/556797372.db2.gz WZNXOTZEZUQVGU-WNCULLNHSA-N 0 0 448.563 3.790 40 0 IHABRN COc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3cccs3)C2)cc1 ZINC000019554275 556797776 /nfs/dbraw/zinc/79/77/76/556797776.db2.gz KKVHRJJLXZDWOY-FQEVSTJZSA-N 0 0 434.561 3.784 40 0 IHABRN Cc1nc(C)c(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)s1 ZINC000019560227 556801765 /nfs/dbraw/zinc/80/17/65/556801765.db2.gz UJFIYNDJJCTWAY-IBGZPJMESA-N 0 0 431.521 3.619 40 0 IHABRN COc1cccc(-c2noc([C@H]3CN(C(=O)c4cc5c(s4)CCCC5)CCO3)n2)c1 ZINC000019566776 556807417 /nfs/dbraw/zinc/80/74/17/556807417.db2.gz KFABRZSIEHJBRO-QGZVFWFLSA-N 0 0 425.510 3.899 40 0 IHABRN COc1cccc(CN2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)c1OC ZINC000019568000 556808275 /nfs/dbraw/zinc/80/82/75/556808275.db2.gz RVJRFHDWOTXHRP-HSZRJFAPSA-N 0 0 431.536 3.557 40 0 IHABRN COc1ccccc1CC(=O)N1CCCC[C@H]2CN(C(=O)CCc3ccccc3F)C[C@H]21 ZINC000019569645 556809704 /nfs/dbraw/zinc/80/97/04/556809704.db2.gz HLONCSJMTBGINZ-JTHBVZDNSA-N 0 0 438.543 3.849 40 0 IHABRN CC(=O)Nc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)c4ccn(C)n4)C3)c2)cc1 ZINC000019570315 556810476 /nfs/dbraw/zinc/81/04/76/556810476.db2.gz QHFHTXPHNJIHBL-SFHVURJKSA-N 0 0 433.512 3.894 40 0 IHABRN CSCC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019573907 556813989 /nfs/dbraw/zinc/81/39/89/556813989.db2.gz QEBDQWXUAFIHPG-LJQANCHMSA-N 0 0 434.565 3.935 40 0 IHABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@H](C)Oc4ccc(F)cc4)nn3cn2)cc1 ZINC000019574346 556814502 /nfs/dbraw/zinc/81/45/02/556814502.db2.gz YMXWZKNRVBXXCC-GJZGRUSLSA-N 0 0 435.459 3.584 40 0 IHABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 ZINC000019579438 556817356 /nfs/dbraw/zinc/81/73/56/556817356.db2.gz FVIXNFJERWHKHB-SANMLTNESA-N 0 0 428.536 3.697 40 0 IHABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnccn2)C1 ZINC000019579448 556817359 /nfs/dbraw/zinc/81/73/59/556817359.db2.gz YAXXBASNHFMJPF-XMMPIXPASA-N 0 0 434.565 3.758 40 0 IHABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)C2CCCCC2)CCO1 ZINC000019580593 556818505 /nfs/dbraw/zinc/81/85/05/556818505.db2.gz JOCQHWXIGZYFOF-SANMLTNESA-N 0 0 435.568 3.557 40 0 IHABRN 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445.567 3.841 40 0 IHABRN Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4N2Cc2cnc(N(C)C)nc2)c1 ZINC000072336972 556909497 /nfs/dbraw/zinc/90/94/97/556909497.db2.gz IFLBIWAAYJBUQL-KNQAVFIVSA-N 0 0 425.540 3.823 40 0 IHABRN Cc1nccn1CCCC(=O)N1CCC[C@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 ZINC000019765257 556909853 /nfs/dbraw/zinc/90/98/53/556909853.db2.gz JCYRMEFEVFYQLR-FQEVSTJZSA-N 0 0 446.555 3.729 40 0 IHABRN Cc1cc(-c2cc(=O)n(CC(=O)N[C@@H](C)c3cccs3)nc2-c2cccs2)on1 ZINC000072337296 556910362 /nfs/dbraw/zinc/91/03/62/556910362.db2.gz VTLPYNGSTPTDDN-ZDUSSCGKSA-N 0 0 426.523 3.874 40 0 IHABRN Cc1cc(-c2cc(=O)n(CC(=O)N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(C)s2)on1 ZINC000072337632 556910525 /nfs/dbraw/zinc/91/05/25/556910525.db2.gz GRMIRHOCFACTRF-GUYCJALGSA-N 0 0 426.542 3.939 40 0 IHABRN Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H](c2ccccc2)C(C(N)=O)=C(C)N1 ZINC000408991948 556911666 /nfs/dbraw/zinc/91/16/66/556911666.db2.gz RRXKZXBRDFNTOH-IBGZPJMESA-N 0 0 428.945 3.780 40 0 IHABRN CC(=O)Nc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)cc1 ZINC000072340715 556912454 /nfs/dbraw/zinc/91/24/54/556912454.db2.gz XEUHRFQVENOYBB-VWLOTQADSA-N 0 0 434.515 3.583 40 0 IHABRN COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c(C)c1C ZINC000072340608 556912570 /nfs/dbraw/zinc/91/25/70/556912570.db2.gz BBLQGJULSYFOLZ-XMMPIXPASA-N 0 0 438.547 3.589 40 0 IHABRN Cc1cc(Br)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1C ZINC000408997801 556913270 /nfs/dbraw/zinc/91/32/70/556913270.db2.gz IIHOPCUBXLWRCT-APWZRJJASA-N 0 0 447.329 3.776 40 0 IHABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C)Cc2ccccc2)cc1 ZINC000409002818 556913294 /nfs/dbraw/zinc/91/32/94/556913294.db2.gz BEYRJFLMVKBYEB-UHFFFAOYSA-N 0 0 436.577 3.887 40 0 IHABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)NCc3ccco3)C(=O)N1CC2 ZINC000072342038 556914363 /nfs/dbraw/zinc/91/43/63/556914363.db2.gz UFTJOAGSACFMFE-DEOSSOPVSA-N 0 0 447.491 3.501 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1OC ZINC000409006273 556916028 /nfs/dbraw/zinc/91/60/28/556916028.db2.gz ZVQUWVMXXDFERO-UHFFFAOYSA-N 0 0 446.569 3.974 40 0 IHABRN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072346016 556917234 /nfs/dbraw/zinc/91/72/34/556917234.db2.gz NILWYYLQXGCNPO-OAHLLOKOSA-N 0 0 430.480 3.572 40 0 IHABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)N4CCCCC4)C3)c(=O)c2c1C ZINC000072347707 556918987 /nfs/dbraw/zinc/91/89/87/556918987.db2.gz JRBHRJFOYKBYAT-SFHVURJKSA-N 0 0 430.618 3.848 40 0 IHABRN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347838 556919257 /nfs/dbraw/zinc/91/92/57/556919257.db2.gz QWQLEKCDWXPXEY-QAPCUYQASA-N 0 0 425.916 3.863 40 0 IHABRN COC(=O)c1ccc(NC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)cc1 ZINC000409017612 556919410 /nfs/dbraw/zinc/91/94/10/556919410.db2.gz SKSAUTVWZSMXLC-UHFFFAOYSA-N 0 0 441.509 3.771 40 0 IHABRN CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)c1C ZINC000072350171 556920188 /nfs/dbraw/zinc/92/01/88/556920188.db2.gz SZJNULJJUNBGGD-KRWDZBQOSA-N 0 0 428.533 3.981 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccccc2)cc1 ZINC000409014179 556920262 /nfs/dbraw/zinc/92/02/62/556920262.db2.gz PGLNEPRRUXNJDR-UHFFFAOYSA-N 0 0 442.581 3.893 40 0 IHABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 ZINC000019818392 556921197 /nfs/dbraw/zinc/92/11/97/556921197.db2.gz KGJQSAWEWGQEJS-UXHICEINSA-N 0 0 441.915 3.842 40 0 IHABRN CCCN1CCN(C(=O)c2cnc(C)cn2)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O ZINC000072351782 556922501 /nfs/dbraw/zinc/92/25/01/556922501.db2.gz WXRWKEXSQWAOOA-NRFANRHFSA-N 0 0 434.565 3.819 40 0 IHABRN Cc1cc(C)n(CCCC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3C)c2)n1 ZINC000072351922 556922772 /nfs/dbraw/zinc/92/27/72/556922772.db2.gz PSGLQJZUXGALSP-VWLOTQADSA-N 0 0 444.579 3.825 40 0 IHABRN O=C(C[C@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019819471 556922762 /nfs/dbraw/zinc/92/27/62/556922762.db2.gz AACXJWYHOBGLRE-FQEVSTJZSA-N 0 0 448.914 3.893 40 0 IHABRN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000072352416 556924247 /nfs/dbraw/zinc/92/42/47/556924247.db2.gz JVWRKEYWWVEIRH-QGZVFWFLSA-N 0 0 440.540 3.975 40 0 IHABRN CC1(C)Oc2ccc(C(=O)N3CCC[C@H]3c3ccc(Nc4cnccn4)cn3)cc2NC1=O ZINC000072353065 556925306 /nfs/dbraw/zinc/92/53/06/556925306.db2.gz OEVVVUPKAKOZPN-IBGZPJMESA-N 0 0 444.495 3.702 40 0 IHABRN CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c(C)n1 ZINC000072353216 556925874 /nfs/dbraw/zinc/92/58/74/556925874.db2.gz DUGGNRVBYSDQSZ-LJQANCHMSA-N 0 0 444.536 3.800 40 0 IHABRN NC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409026284 556926149 /nfs/dbraw/zinc/92/61/49/556926149.db2.gz KZBMEYKMHIOSAJ-DEOSSOPVSA-N 0 0 431.517 3.812 40 0 IHABRN NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409026285 556926165 /nfs/dbraw/zinc/92/61/65/556926165.db2.gz KZBMEYKMHIOSAJ-XMMPIXPASA-N 0 0 431.517 3.812 40 0 IHABRN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)n1 ZINC000072353297 556926213 /nfs/dbraw/zinc/92/62/13/556926213.db2.gz IIYZQYMAEDCPPP-KRWDZBQOSA-N 0 0 441.532 3.939 40 0 IHABRN COc1cccc(N(C)CCC(=O)N2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)c1 ZINC000072353484 556927063 /nfs/dbraw/zinc/92/70/63/556927063.db2.gz YRTKFKGBMQBNQM-IBGZPJMESA-N 0 0 446.555 3.856 40 0 IHABRN CC(=O)NC1(CC(=O)N2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)CCCCC1 ZINC000072353487 556927135 /nfs/dbraw/zinc/92/71/35/556927135.db2.gz SJLMFBKNXXDNMV-LJQANCHMSA-N 0 0 436.560 3.550 40 0 IHABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(C(C)C)cc3)sc2=N1 ZINC000409035416 556928481 /nfs/dbraw/zinc/92/84/81/556928481.db2.gz SOARQMQKSYRUDX-RNHBDSLOSA-N 0 0 446.572 3.922 40 0 IHABRN CN(C)c1ccc(C(=O)N2CCC(c3nc(C4CC4)[nH]c(=O)c3-c3ccncc3)CC2)cc1 ZINC000072354305 556929915 /nfs/dbraw/zinc/92/99/15/556929915.db2.gz JRNQGKBZKPITRS-UHFFFAOYSA-N 0 0 443.551 3.795 40 0 IHABRN CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000409051100 556932791 /nfs/dbraw/zinc/93/27/91/556932791.db2.gz IVUBZRPLEWOACV-UHFFFAOYSA-N 0 0 428.573 3.638 40 0 IHABRN CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2CC)cc1 ZINC000409057115 556934581 /nfs/dbraw/zinc/93/45/81/556934581.db2.gz IRIDOGXKFLAAIO-UHFFFAOYSA-N 0 0 437.569 3.830 40 0 IHABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867548 556934646 /nfs/dbraw/zinc/93/46/46/556934646.db2.gz ILQWMHWOCPPLIB-UHFFFAOYSA-N 0 0 441.380 3.852 40 0 IHABRN Cc1nc(CN(C)C(=O)c2cccc(N3CCCC3)c2)nc2c1CCC(=O)N2CCC(C)C ZINC000072370995 556937084 /nfs/dbraw/zinc/93/70/84/556937084.db2.gz KJBIARZXBCUMJJ-UHFFFAOYSA-N 0 0 449.599 3.983 40 0 IHABRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccccc3)n2C)C(C)C)c1 ZINC000409054554 556938283 /nfs/dbraw/zinc/93/82/83/556938283.db2.gz BRGQPHVXOXZINX-HXUWFJFHSA-N 0 0 437.569 3.981 40 0 IHABRN COc1ccccc1CN1C(=O)Cc2c1nc([C@@H]1CCCN(C(=O)C(C)(C)C)C1)nc2C ZINC000072371930 556941324 /nfs/dbraw/zinc/94/13/24/556941324.db2.gz VSVDCANQKHOKNN-GOSISDBHSA-N 0 0 436.556 3.635 40 0 IHABRN CCn1ccc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)n1 ZINC000072372912 556944936 /nfs/dbraw/zinc/94/49/36/556944936.db2.gz NTUACBZKOFZMCB-HSZRJFAPSA-N 0 0 444.583 3.974 40 0 IHABRN Cc1nc([C@H]2CCCN2C(=O)c2cnccn2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000072373771 556946898 /nfs/dbraw/zinc/94/68/98/556946898.db2.gz QLOXTHNDSMHXHT-OAQYLSRUSA-N 0 0 432.503 3.644 40 0 IHABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000019930897 556948592 /nfs/dbraw/zinc/94/85/92/556948592.db2.gz HNFGFTWOXOAHJH-IBGZPJMESA-N 0 0 448.466 3.941 40 0 IHABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000019934473 556950449 /nfs/dbraw/zinc/95/04/49/556950449.db2.gz XJVDRQQSBZAFOT-UHFFFAOYSA-N 0 0 444.597 3.640 40 0 IHABRN CSc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 ZINC000019935456 556950716 /nfs/dbraw/zinc/95/07/16/556950716.db2.gz WADJNFOOSPJWHR-UHFFFAOYSA-N 0 0 440.974 3.864 40 0 IHABRN O=C(Nc1cccc(Br)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935607 556950908 /nfs/dbraw/zinc/95/09/08/556950908.db2.gz IMYQHUHEPMUSKS-UHFFFAOYSA-N 0 0 427.295 3.625 40 0 IHABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)CN3CCc4ccccc4C3)n2)s1 ZINC000072375332 556951071 /nfs/dbraw/zinc/95/10/71/556951071.db2.gz NTEPODNPXJJDCW-HXUWFJFHSA-N 0 0 448.596 3.961 40 0 IHABRN CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)c(C)n1 ZINC000072375592 556951822 /nfs/dbraw/zinc/95/18/22/556951822.db2.gz RLXRFOOFSLWTMI-SFHVURJKSA-N 0 0 426.546 3.579 40 0 IHABRN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)n1 ZINC000072375981 556953923 /nfs/dbraw/zinc/95/39/23/556953923.db2.gz AAWRBYSGFVSRCG-QGZVFWFLSA-N 0 0 441.532 3.939 40 0 IHABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cncc(Nc2cccc(C)n2)n1 ZINC000072376351 556954410 /nfs/dbraw/zinc/95/44/10/556954410.db2.gz KFJSNZFADCJESE-GOSISDBHSA-N 0 0 439.541 3.766 40 0 IHABRN CNc1nc([C@@H]2CCCCN2C(=O)c2cc(C3CCCCC3)no2)nc2c1CCN(C)C2 ZINC000072376576 556955089 /nfs/dbraw/zinc/95/50/89/556955089.db2.gz KIDXMRKEGKCSTJ-FQEVSTJZSA-N 0 0 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LPYSKDVXRVFOLI-UHFFFAOYSA-N 0 0 438.977 3.991 40 0 IHABRN CCN(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1cc(F)ccc1OC ZINC000022539277 520347861 /nfs/dbraw/zinc/34/78/61/520347861.db2.gz WGQUYUQKOSZVAA-QGZVFWFLSA-N 0 0 436.549 3.648 40 0 IHABRN CCCOc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000022382186 520384562 /nfs/dbraw/zinc/38/45/62/520384562.db2.gz BKRUIYXBQMCATE-UHFFFAOYSA-N 0 0 430.448 3.899 40 0 IHABRN CCCOc1ccccc1CCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000022340654 520475057 /nfs/dbraw/zinc/47/50/57/520475057.db2.gz XLCZWKJAOYAGSU-UHFFFAOYSA-N 0 0 432.586 3.607 40 0 IHABRN CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467169 520522124 /nfs/dbraw/zinc/52/21/24/520522124.db2.gz AOTYVNZEUUZDSF-NMWWFTPNSA-N 0 0 429.605 3.508 40 0 biogenic,in-vitro IHABRN CC1CCN(C(=O)Cn2c3ccccc3nc2SCC(=O)N2CCc3ccccc32)CC1 ZINC000012882448 520981427 /nfs/dbraw/zinc/98/14/27/520981427.db2.gz FJMZKNJJLJAACR-UHFFFAOYSA-N 0 0 448.592 3.976 40 0 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COC(=O)[C@@H]1SC(c2ccc(OC)cc2)=C[C@@H]2C1C(=O)C(=O)N2c1ccc(OC)cc1 ZINC000035193514 523808348 /nfs/dbraw/zinc/80/83/48/523808348.db2.gz SUMFSRMKABIKMS-DYESRHJHSA-N 0 0 439.489 3.561 40 0 IHABRN COc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000012480787 523967367 /nfs/dbraw/zinc/96/73/67/523967367.db2.gz IKJSJGKGRNUBSF-GOSISDBHSA-N 0 0 431.920 3.712 40 0 IHABRN CN1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464382 524012373 /nfs/dbraw/zinc/01/23/73/524012373.db2.gz LZYYPFXRSQJCSB-OALUTQOASA-N 0 0 448.523 3.938 40 0 biogenic,in-vitro IHABRN COc1ccc(CNC(=O)CSc2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000035311285 524053799 /nfs/dbraw/zinc/05/37/99/524053799.db2.gz HQPNIPOLFPJJBZ-UHFFFAOYSA-N 0 0 428.539 3.516 40 0 IHABRN CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccc(OC)cc3OC)nc1n2C ZINC000035312657 524059810 /nfs/dbraw/zinc/05/98/10/524059810.db2.gz NWPJLKWICREIFY-UHFFFAOYSA-N 0 0 437.525 3.827 40 0 IHABRN COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(=O)c2ccccc2)cc1 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/nfs/dbraw/zinc/82/23/95/556822395.db2.gz MEXPOAWRQXQJBP-QFIPXVFZSA-N 0 0 431.540 3.910 40 0 IHABRN COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)c(OC)c1 ZINC000004847707 556823740 /nfs/dbraw/zinc/82/37/40/556823740.db2.gz BKSQYPHAKDIBDF-QFIPXVFZSA-N 0 0 425.508 3.699 40 0 IHABRN COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CCN(C)CC2)CCOCC1 ZINC000019589699 556824615 /nfs/dbraw/zinc/82/46/15/556824615.db2.gz SVNIPXZBPJGLCN-UHFFFAOYSA-N 0 0 426.532 3.615 40 0 IHABRN CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(Cl)cc1Cl ZINC000096520842 556824779 /nfs/dbraw/zinc/82/47/79/556824779.db2.gz PGEUFJSHWZRREN-MRVPVSSYSA-N 0 0 426.941 3.515 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)COc2ccccc2)C1 ZINC000019591122 556825760 /nfs/dbraw/zinc/82/57/60/556825760.db2.gz NYANMPJGRXLOKG-HHHXNRCGSA-N 0 0 443.547 3.725 40 0 IHABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2ccccc2)C1 ZINC000019591137 556825773 /nfs/dbraw/zinc/82/57/73/556825773.db2.gz UHTFBFKKOSZNCC-MHZLTWQESA-N 0 0 427.548 3.889 40 0 IHABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC000019591481 556826975 /nfs/dbraw/zinc/82/69/75/556826975.db2.gz SHQDOQKKKZQWJH-MHZLTWQESA-N 0 0 443.547 3.507 40 0 IHABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(OC)c2)C1 ZINC000019591585 556827223 /nfs/dbraw/zinc/82/72/23/556827223.db2.gz MSGXPOQKHIFBMJ-SANMLTNESA-N 0 0 429.520 3.578 40 0 IHABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C2CCCCC2)CCO1 ZINC000019591801 556827504 /nfs/dbraw/zinc/82/75/04/556827504.db2.gz WEEIEJCJFWHWPT-SANMLTNESA-N 0 0 438.543 3.959 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2ccccc2)CCO1 ZINC000019591860 556827671 /nfs/dbraw/zinc/82/76/71/556827671.db2.gz KQFZMBQQTNSWND-AREMUKBSSA-N 0 0 432.495 3.693 40 0 IHABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1 ZINC000019591847 556827702 /nfs/dbraw/zinc/82/77/02/556827702.db2.gz GUAZZNFHWQIOMH-MHZLTWQESA-N 0 0 444.531 3.562 40 0 IHABRN COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 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448.566 3.948 40 0 IHABRN O=C(Cc1cccs1)N(c1ccccc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1 ZINC000008667185 556841903 /nfs/dbraw/zinc/84/19/03/556841903.db2.gz ASXLGFHXTXKNCW-REWPJTCUSA-N 0 0 435.549 3.755 40 0 IHABRN O=C(Cc1cccs1)N(c1ccccc1)[C@H](C(=O)NC[C@H]1CCCO1)c1cccnc1 ZINC000008667066 556841931 /nfs/dbraw/zinc/84/19/31/556841931.db2.gz ASXLGFHXTXKNCW-OFNKIYASSA-N 0 0 435.549 3.755 40 0 IHABRN Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@@H]2COCCO2)cc1 ZINC000008582716 556842331 /nfs/dbraw/zinc/84/23/31/556842331.db2.gz HEFOZZFRRHVPKM-JOCHJYFZSA-N 0 0 435.524 3.903 40 0 IHABRN CN(C)S(=O)(=O)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019688186 556842757 /nfs/dbraw/zinc/84/27/57/556842757.db2.gz ALBQOEMPACAPRT-QGZVFWFLSA-N 0 0 427.492 3.677 40 0 IHABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 ZINC000019691897 556847662 /nfs/dbraw/zinc/84/76/62/556847662.db2.gz FMZOAWLDQKQZPA-FQEVSTJZSA-N 0 0 430.961 3.894 40 0 IHABRN 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556850518 /nfs/dbraw/zinc/85/05/18/556850518.db2.gz BPGHRIRIJPSNFG-SFHVURJKSA-N 0 0 436.585 3.793 40 0 IHABRN Cc1noc(CCC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)n1 ZINC000019694606 556850830 /nfs/dbraw/zinc/85/08/30/556850830.db2.gz DFKFNMVINKQSNM-LJQANCHMSA-N 0 0 438.507 3.727 40 0 IHABRN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CCn3nccc3C)CC2)cc1 ZINC000019695109 556851328 /nfs/dbraw/zinc/85/13/28/556851328.db2.gz PZVDZVIUYGCPRJ-UHFFFAOYSA-N 0 0 448.571 3.519 40 0 IHABRN Cc1noc(C)c1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(F)c2)CC1 ZINC000019695272 556851700 /nfs/dbraw/zinc/85/17/00/556851700.db2.gz QUXNXXUCWLSMPY-UHFFFAOYSA-N 0 0 437.519 3.902 40 0 IHABRN COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c1 ZINC000008934818 556852676 /nfs/dbraw/zinc/85/26/76/556852676.db2.gz RVWSCHCIKKCXGK-UHFFFAOYSA-N 0 0 446.916 3.565 40 0 IHABRN COCc1ccc(OC)c(CN2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)c1 ZINC000019697613 556855057 /nfs/dbraw/zinc/85/50/57/556855057.db2.gz TYLRYFHDBYESEM-IBGZPJMESA-N 0 0 426.538 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556863066 /nfs/dbraw/zinc/86/30/66/556863066.db2.gz KREUIDBPFCZPRS-UHFFFAOYSA-N 0 0 435.553 3.732 40 0 IHABRN Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2CCc1ccccc1 ZINC000019706212 556864432 /nfs/dbraw/zinc/86/44/32/556864432.db2.gz DXEDPLSVFIGNDX-QHCPKHFHSA-N 0 0 444.583 3.881 40 0 IHABRN Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 ZINC000019706913 556865689 /nfs/dbraw/zinc/86/56/89/556865689.db2.gz QOWJHTCKDYHNOC-NRFANRHFSA-N 0 0 444.583 3.800 40 0 IHABRN Cc1c(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)cnn1C ZINC000019707025 556866256 /nfs/dbraw/zinc/86/62/56/556866256.db2.gz VAEUGVABLLKSTE-NRFANRHFSA-N 0 0 444.583 3.800 40 0 IHABRN CNc1nc([C@H]2CCCN2C(=O)C2(c3ccccc3F)CCCC2)nc2c1CCN(C)C2 ZINC000019707394 556866778 /nfs/dbraw/zinc/86/67/78/556866778.db2.gz VJFYVJHSTINLCB-OAQYLSRUSA-N 0 0 437.563 3.821 40 0 IHABRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)c1 ZINC000019708145 556868461 /nfs/dbraw/zinc/86/84/61/556868461.db2.gz MQCGWPPYDHKOGK-QHCPKHFHSA-N 0 0 441.597 3.815 40 0 IHABRN CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2)n1 ZINC000019709827 556871292 /nfs/dbraw/zinc/87/12/92/556871292.db2.gz MMZVOTROWGSQMZ-FQEVSTJZSA-N 0 0 443.979 3.836 40 0 IHABRN CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019709840 556871442 /nfs/dbraw/zinc/87/14/42/556871442.db2.gz SRJLTGWDQQXERN-JOCHJYFZSA-N 0 0 437.588 3.721 40 0 IHABRN O=c1/c(=C/c2cc(Br)c(Br)o2)sc2nc3ccccc3n12 ZINC000408862609 556872616 /nfs/dbraw/zinc/87/26/16/556872616.db2.gz HWIWIVHYGBYOAB-WDZFZDKYSA-N 0 0 426.089 3.575 40 0 IHABRN Cc1nc(C2CCN(C(=O)CCCc3ccccn3)CC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019739266 556877258 /nfs/dbraw/zinc/87/72/58/556877258.db2.gz LSIZMOGHCWZPEN-UHFFFAOYSA-N 0 0 447.583 3.598 40 0 IHABRN COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C(=O)C(C)C)C4)nc32)c1 ZINC000019739422 556877902 /nfs/dbraw/zinc/87/79/02/556877902.db2.gz MSKMUEBVOJVLIV-LJQANCHMSA-N 0 0 436.556 3.635 40 0 IHABRN Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019740647 556881103 /nfs/dbraw/zinc/88/11/03/556881103.db2.gz YIBZGEAPZUXCIL-JOCHJYFZSA-N 0 0 430.556 3.643 40 0 IHABRN Cc1c(CN2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)cnn1C ZINC000019740628 556881118 /nfs/dbraw/zinc/88/11/18/556881118.db2.gz OVMPCLXUYJEQTA-QHCPKHFHSA-N 0 0 444.583 3.952 40 0 IHABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)s1 ZINC000019740626 556881191 /nfs/dbraw/zinc/88/11/91/556881191.db2.gz AKSZDFSYZZJKHS-QGZVFWFLSA-N 0 0 427.574 3.771 40 0 IHABRN Cc1c(CN2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)cnn1C ZINC000019740640 556881211 /nfs/dbraw/zinc/88/12/11/556881211.db2.gz PAAQUKNOAPBGRM-QFIPXVFZSA-N 0 0 448.546 3.783 40 0 IHABRN CCc1cc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)on1 ZINC000019741766 556884793 /nfs/dbraw/zinc/88/47/93/556884793.db2.gz WVMLQFPZGCIATP-FQEVSTJZSA-N 0 0 445.523 3.792 40 0 IHABRN Nc1n[nH]c2nc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)cc(C(F)(F)F)c12 ZINC000019742142 556885814 /nfs/dbraw/zinc/88/58/14/556885814.db2.gz WCFOONZUBUDUKG-LBPRGKRZSA-N 0 0 442.445 3.989 40 0 IHABRN Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc12 ZINC000019743285 556887678 /nfs/dbraw/zinc/88/76/78/556887678.db2.gz RUODDYOQFVXFND-GOSISDBHSA-N 0 0 445.548 3.842 40 0 IHABRN COc1ccc2[nH]cc(C(=O)N3CCC[C@H]3c3nc4c(c(C)n3)CC(=O)N4CC(C)C)c2c1 ZINC000019744254 556890225 /nfs/dbraw/zinc/89/02/25/556890225.db2.gz LFAZEQSZUIGSQP-NRFANRHFSA-N 0 0 447.539 3.797 40 0 IHABRN COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCCN(C(=O)CC(C)C)C2)nc3C)cc1 ZINC000019744569 556891044 /nfs/dbraw/zinc/89/10/44/556891044.db2.gz OMBGNVVKDIKFAD-IBGZPJMESA-N 0 0 436.556 3.635 40 0 IHABRN COC(C)(C)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 ZINC000019745062 556891827 /nfs/dbraw/zinc/89/18/27/556891827.db2.gz IFQZZMNZHNQJGF-UHFFFAOYSA-N 0 0 425.508 3.840 40 0 IHABRN Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000019746409 556892284 /nfs/dbraw/zinc/89/22/84/556892284.db2.gz VFDCBTRUIOUDAY-IBGZPJMESA-N 0 0 430.574 3.532 40 0 IHABRN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000408923457 556892377 /nfs/dbraw/zinc/89/23/77/556892377.db2.gz CTKXSDCWLHEFTF-UHFFFAOYSA-N 0 0 438.505 3.616 40 0 IHABRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)c1 ZINC000019750530 556894345 /nfs/dbraw/zinc/89/43/45/556894345.db2.gz CRJZKFAASDPNTF-DEOSSOPVSA-N 0 0 443.547 3.759 40 0 IHABRN Cc1ccc([C@H]2CCCN2C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)cc1C ZINC000019751657 556895715 /nfs/dbraw/zinc/89/57/15/556895715.db2.gz HMZJAZLLAXQFKG-XMMPIXPASA-N 0 0 443.547 3.759 40 0 IHABRN Cc1nc([C@@H]2CCCN2Cc2cccnc2N(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019755041 556898277 /nfs/dbraw/zinc/89/82/77/556898277.db2.gz HFHFEGIUXVKILI-QFIPXVFZSA-N 0 0 448.546 3.652 40 0 IHABRN Cc1nc2c(C)cccn2c1C(=O)N1CCC[C@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 ZINC000019756158 556899796 /nfs/dbraw/zinc/89/97/96/556899796.db2.gz HQHSNNDFSKJMRA-FQEVSTJZSA-N 0 0 446.555 3.653 40 0 IHABRN Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C(=O)c3nccc4ccccc43)CC2)n1 ZINC000019756457 556900217 /nfs/dbraw/zinc/90/02/17/556900217.db2.gz HXSLYAWKCYWORK-UHFFFAOYSA-N 0 0 445.567 3.736 40 0 IHABRN O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 ZINC000019756768 556900690 /nfs/dbraw/zinc/90/06/90/556900690.db2.gz SVDUTCASPBSESB-UHFFFAOYSA-N 0 0 445.567 3.654 40 0 IHABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@H](O)[C@H]3CCCC[C@@H]31)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326493 556903113 /nfs/dbraw/zinc/90/31/13/556903113.db2.gz YQJQGTKZTQTWNK-VQVISYJPSA-N 0 0 437.584 3.517 40 0 IHABRN COc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@@]32Nc3ccccc3C(=O)N2)cc1 ZINC000072326949 556903450 /nfs/dbraw/zinc/90/34/50/556903450.db2.gz JFVRXAQSODJUJU-ZMSGYCMXSA-N 0 0 433.552 3.732 40 0 IHABRN Cc1nn(C)cc1CN1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019759720 556903600 /nfs/dbraw/zinc/90/36/00/556903600.db2.gz OEFBEDWAFHBWAY-NRFANRHFSA-N 0 0 448.552 3.559 40 0 IHABRN CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)CC4CCCC4)C3)nc3ccccc32)CC1 ZINC000019761223 556904501 /nfs/dbraw/zinc/90/45/01/556904501.db2.gz MSTKHTVTJFXNRJ-HXUWFJFHSA-N 0 0 434.584 3.519 40 0 IHABRN CN(C)c1ccc(NC(=O)c2ccc(N3C(=O)c4nc5ccccc5nc4C3=O)cc2)cc1 ZINC000408975809 556906037 /nfs/dbraw/zinc/90/60/37/556906037.db2.gz NUTRTJHZGOISJY-UHFFFAOYSA-N 0 0 437.459 3.749 40 0 IHABRN Cc1cccc(C)c1OCC(=O)N1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019762115 556906260 /nfs/dbraw/zinc/90/62/60/556906260.db2.gz ZBSDEGCBWLKSNF-QHCPKHFHSA-N 0 0 447.535 3.532 40 0 IHABRN CCOC(=O)[C@H](C)n1ncc2c3sc(C)cc3n(Cc3cccc(OC)c3)c2c1=O ZINC000072334538 556907188 /nfs/dbraw/zinc/90/71/88/556907188.db2.gz XFFUMFHCGUWZLU-AWEZNQCLSA-N 0 0 425.510 3.902 40 0 IHABRN CCn1cc(CN2CCO[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 ZINC000019762917 556907796 /nfs/dbraw/zinc/90/77/96/556907796.db2.gz SUNBMFQSAOOOJE-NRFANRHFSA-N 0 0 448.552 3.734 40 0 IHABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccn2Cc2ccccc2F)C3)C1 ZINC000072335626 556908593 /nfs/dbraw/zinc/90/85/93/556908593.db2.gz IDHLNNQZULZDRQ-GOSISDBHSA-N 0 0 435.547 3.966 40 0 IHABRN COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)Cc4ccccc4)C3)nc2C)cc1 ZINC000019766068 556911090 /nfs/dbraw/zinc/91/10/90/556911090.db2.gz ZLCHRKWNAMFMRA-IBGZPJMESA-N 0 0 430.508 3.605 40 0 IHABRN CCCc1cc(C(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccc(OC)cc4)c(C)n3)C2)no1 ZINC000019766150 556911398 /nfs/dbraw/zinc/91/13/98/556911398.db2.gz RXKQVPVZBOANDW-INIZCTEOSA-N 0 0 449.511 3.616 40 0 IHABRN COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C3CCCC3)CC2)nc1C ZINC000019766636 556911877 /nfs/dbraw/zinc/91/18/77/556911877.db2.gz RVUZWTNPYQIDDB-UHFFFAOYSA-N 0 0 436.556 3.620 40 0 IHABRN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(Br)c2)cc1 ZINC000408997822 556913236 /nfs/dbraw/zinc/91/32/36/556913236.db2.gz IXRNQCPSLAWEFN-UHFFFAOYSA-N 0 0 431.739 3.718 40 0 IHABRN CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)cc(C(F)(F)F)n2n1 ZINC000072341101 556913439 /nfs/dbraw/zinc/91/34/39/556913439.db2.gz DAZNZPXVFQVKTF-CYBMUJFWSA-N 0 0 432.450 3.855 40 0 IHABRN COc1ccc(C(=O)N2CCC[C@@H](n3cnc4cc(F)ccc43)C2)cc1Cn1cccn1 ZINC000072342105 556914655 /nfs/dbraw/zinc/91/46/55/556914655.db2.gz CGTDLBFRQUKIQG-HXUWFJFHSA-N 0 0 433.487 3.906 40 0 IHABRN Cc1ccc([C@@H]2CCCN2C(=O)c2cccn(CC(=O)Nc3nccs3)c2=O)cc1C ZINC000072344592 556915280 /nfs/dbraw/zinc/91/52/80/556915280.db2.gz YTUXFDBBIIIECC-IBGZPJMESA-N 0 0 436.537 3.538 40 0 IHABRN CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccc2OC)CC1 ZINC000072345026 556916313 /nfs/dbraw/zinc/91/63/13/556916313.db2.gz FKVJPARUNHFJBJ-UHFFFAOYSA-N 0 0 443.547 3.968 40 0 IHABRN Cc1cc(CN2CCOCC2)oc1C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000072346489 556917861 /nfs/dbraw/zinc/91/78/61/556917861.db2.gz FEDABIZQQZOMHR-UHFFFAOYSA-N 0 0 446.551 3.768 40 0 IHABRN COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cc1 ZINC000072349561 556919729 /nfs/dbraw/zinc/91/97/29/556919729.db2.gz TXFBRPHRJIRXFZ-OAQYLSRUSA-N 0 0 429.520 3.805 40 0 IHABRN CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1C ZINC000072350172 556920192 /nfs/dbraw/zinc/92/01/92/556920192.db2.gz SZJNULJJUNBGGD-QGZVFWFLSA-N 0 0 428.533 3.981 40 0 IHABRN CCN(CC)C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000072351361 556921032 /nfs/dbraw/zinc/92/10/32/556921032.db2.gz YDQKWCRPDAATNQ-SFHVURJKSA-N 0 0 436.915 3.817 40 0 IHABRN COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000409016458 556921289 /nfs/dbraw/zinc/92/12/89/556921289.db2.gz TVCMUNAVLNFEFV-UHFFFAOYSA-N 0 0 432.904 3.857 40 0 IHABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1c[nH]c2ccccc21 ZINC000019818573 556921315 /nfs/dbraw/zinc/92/13/15/556921315.db2.gz XFKCUYFCTOASHV-VXKWHMMOSA-N 0 0 446.507 3.669 40 0 IHABRN CCCN1CCN(C(=O)c2cccnc2C)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351569 556921745 /nfs/dbraw/zinc/92/17/45/556921745.db2.gz BXWMVZNUFVUYKZ-XMMPIXPASA-N 0 0 428.536 3.758 40 0 IHABRN CCCc1cc(C(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3cccc(F)c3F)cc2)no1 ZINC000072351930 556922822 /nfs/dbraw/zinc/92/28/22/556922822.db2.gz DYSHIGPMGLSIGQ-OAQYLSRUSA-N 0 0 439.462 3.756 40 0 IHABRN COc1cc(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000409023266 556923233 /nfs/dbraw/zinc/92/32/33/556923233.db2.gz ZXLYTMFBNBDWLO-UHFFFAOYSA-N 0 0 446.931 3.534 40 0 IHABRN CCc1cc(C(=O)N2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)on1 ZINC000072352199 556923331 /nfs/dbraw/zinc/92/33/31/556923331.db2.gz VXXPJWIEYAAHRP-OAHLLOKOSA-N 0 0 439.537 3.554 40 0 IHABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000409024071 556924102 /nfs/dbraw/zinc/92/41/02/556924102.db2.gz TWXBORUHASNCFU-UHFFFAOYSA-N 0 0 447.329 3.957 40 0 IHABRN CN(C)C(=O)c1cc([C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000072352695 556925076 /nfs/dbraw/zinc/92/50/76/556925076.db2.gz FIAVVEMFJQVNDU-HSZRJFAPSA-N 0 0 435.499 3.608 40 0 IHABRN CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)c(C)n1 ZINC000072353214 556925966 /nfs/dbraw/zinc/92/59/66/556925966.db2.gz KSIUPUKSRGVFEK-HXUWFJFHSA-N 0 0 440.573 3.969 40 0 IHABRN Cc1c(/C=c2\sc3nc(C)c(C)c(=O)n3c2=O)c2cc(C)ccc2n1Cc1ccccc1 ZINC000409032104 556927162 /nfs/dbraw/zinc/92/71/62/556927162.db2.gz IHRSIJHDKZNQPX-QRVIBDJDSA-N 0 0 441.556 3.901 40 0 IHABRN Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(C(=O)CN(C)Cc3ccccc3F)C2)n1 ZINC000072353784 556928193 /nfs/dbraw/zinc/92/81/93/556928193.db2.gz YSDSMKRHHNSCOK-HXUWFJFHSA-N 0 0 433.531 3.824 40 0 IHABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000072354256 556929626 /nfs/dbraw/zinc/92/96/26/556929626.db2.gz ABLOXPDTUSGBNE-LJQANCHMSA-N 0 0 444.988 3.936 40 0 IHABRN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC(c2cccc(Br)n2)CC1 ZINC000072360858 556933155 /nfs/dbraw/zinc/93/31/55/556933155.db2.gz YVZFTJCDZUOYRZ-UHFFFAOYSA-N 0 0 426.355 3.853 40 0 IHABRN COCCc1ncc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072361466 556933515 /nfs/dbraw/zinc/93/35/15/556933515.db2.gz RQIGATSADGRZHC-GOSISDBHSA-N 0 0 425.562 3.610 40 0 IHABRN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccccn1 ZINC000072370430 556934875 /nfs/dbraw/zinc/93/48/75/556934875.db2.gz VZZISWQQRQJCMV-QGZVFWFLSA-N 0 0 437.565 3.910 40 0 IHABRN C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000409060782 556937773 /nfs/dbraw/zinc/93/77/73/556937773.db2.gz XZUPNPUKPVFDRW-SFHVURJKSA-N 0 0 426.513 3.894 40 0 IHABRN Cc1ccn(CCC(=O)N2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)n1 ZINC000072371447 556938541 /nfs/dbraw/zinc/93/85/41/556938541.db2.gz GAQQKOSXRNMKQG-KRWDZBQOSA-N 0 0 427.936 3.596 40 0 IHABRN CCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409055260 556938776 /nfs/dbraw/zinc/93/87/76/556938776.db2.gz DLLZXEXEACUWBB-UHFFFAOYSA-N 0 0 433.332 3.850 40 0 IHABRN O=C(COc1ccc(F)cc1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371695 556940089 /nfs/dbraw/zinc/94/00/89/556940089.db2.gz OTYDDRHBIXPYJG-MRXNPFEDSA-N 0 0 427.451 3.704 40 0 IHABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1 ZINC000072372652 556943780 /nfs/dbraw/zinc/94/37/80/556943780.db2.gz KKUKCXLOGUNAPI-LJQANCHMSA-N 0 0 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Cc1cc(-c2cncnc2)cc([C@H]2CCN(C(=O)Cc3ccc4nc(N)sc4c3)C2)n1 ZINC000072374698 556948844 /nfs/dbraw/zinc/94/88/44/556948844.db2.gz HVONUAUNWRXWKC-INIZCTEOSA-N 0 0 430.537 3.598 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000019932902 556949607 /nfs/dbraw/zinc/94/96/07/556949607.db2.gz JFHMVSXBQJHRAK-SFHVURJKSA-N 0 0 446.569 3.893 40 0 IHABRN CCOC(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)ccc1Cl ZINC000019934433 556950457 /nfs/dbraw/zinc/95/04/57/556950457.db2.gz YRZQTMPNWCPYIG-UHFFFAOYSA-N 0 0 431.297 3.794 40 0 IHABRN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)ccc1F ZINC000072376086 556953807 /nfs/dbraw/zinc/95/38/07/556953807.db2.gz RZPUSXJOMFIHFG-MRXNPFEDSA-N 0 0 427.505 3.631 40 0 IHABRN Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)c3ccccc3Cl)n2)n1 ZINC000072376323 556954555 /nfs/dbraw/zinc/95/45/55/556954555.db2.gz HXXPQFCBBQKARV-KRWDZBQOSA-N 0 0 444.948 3.806 40 0 IHABRN CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCc3ccccc3OC(C)C)n1)CCN(C)C2 ZINC000072376587 556955034 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569232522 /nfs/dbraw/zinc/23/25/22/569232522.db2.gz DECACTWNFGFZAN-GOSISDBHSA-N 0 0 429.517 3.637 40 0 IHABRN CCCc1cc(C(=O)N2CCO[C@@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)no1 ZINC000019702870 569232545 /nfs/dbraw/zinc/23/25/45/569232545.db2.gz XFIYDAHPPPBOPR-QGZVFWFLSA-N 0 0 442.541 3.589 40 0 IHABRN CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CCc2ccccc2)CCO1 ZINC000019703169 569232712 /nfs/dbraw/zinc/23/27/12/569232712.db2.gz AIBMLGYHRZNTOC-IBGZPJMESA-N 0 0 437.565 3.967 40 0 IHABRN O=C(Cc1ccc(F)cc1)N1CC[C@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 ZINC000019704963 569233845 /nfs/dbraw/zinc/23/38/45/569233845.db2.gz VOYLHUADKJGCRB-KRWDZBQOSA-N 0 0 430.487 3.663 40 0 IHABRN Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)Cc3nnc(C(C)C)[nH]3)CC[C@]21C ZINC000019713428 569235564 /nfs/dbraw/zinc/23/55/64/569235564.db2.gz SSHFRMWOBMBDSD-CJFMBICVSA-N 0 0 437.588 3.741 40 0 IHABRN Cc1nn(CC(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)c(C)c1C ZINC000019755373 569236810 /nfs/dbraw/zinc/23/68/10/569236810.db2.gz 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40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)C2)cc1 ZINC000036128049 569248677 /nfs/dbraw/zinc/24/86/77/569248677.db2.gz JEIXBKDWNWIUEG-UXHICEINSA-N 0 0 444.597 3.899 40 0 IHABRN COc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)cc1 ZINC000038179088 569248744 /nfs/dbraw/zinc/24/87/44/569248744.db2.gz NQNJECQEJJFMFV-UHFFFAOYSA-N 0 0 435.303 3.679 40 0 IHABRN CCN(CC)C(=O)Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000039556623 569249147 /nfs/dbraw/zinc/24/91/47/569249147.db2.gz PRLZFCVDGJFPEN-ZHZULCJRSA-N 0 0 432.549 3.772 40 0 IHABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(F)cc2)CC1 ZINC000107641703 569250772 /nfs/dbraw/zinc/25/07/72/569250772.db2.gz NEEFVEZNJXULQO-UHFFFAOYSA-N 0 0 448.951 3.665 40 0 IHABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000107702344 569251012 /nfs/dbraw/zinc/25/10/12/569251012.db2.gz HZMQNRRSXJBDAK-HNNXBMFYSA-N 0 0 441.532 3.967 40 0 IHABRN Cc1ccc(F)cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2C)n1C ZINC000108268662 569252962 /nfs/dbraw/zinc/25/29/62/569252962.db2.gz UQENVOGTGVGSMS-OAHLLOKOSA-N 0 0 441.532 3.793 40 0 IHABRN CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000108893985 569253068 /nfs/dbraw/zinc/25/30/68/569253068.db2.gz VUSVVOBIRIFWMI-AWEZNQCLSA-N 0 0 427.505 3.659 40 0 IHABRN CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000139085299 569254613 /nfs/dbraw/zinc/25/46/13/569254613.db2.gz FYZGYXVMHIKGMU-UHFFFAOYSA-N 0 0 436.386 3.809 40 0 IHABRN COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000139142512 569254960 /nfs/dbraw/zinc/25/49/60/569254960.db2.gz ZPCOYOYHUMIZAS-LBPRGKRZSA-N 0 0 437.279 3.537 40 0 IHABRN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1OC ZINC000143429856 569255024 /nfs/dbraw/zinc/25/50/24/569255024.db2.gz HJOIRVYWNPPQJO-UHFFFAOYSA-N 0 0 426.494 3.686 40 0 IHABRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OCc1ccncc1 ZINC000205760528 569255592 /nfs/dbraw/zinc/25/55/92/569255592.db2.gz KOAHKZYDIRKZFY-YBFXNURJSA-N 0 0 442.493 3.657 40 0 IHABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccccc1 ZINC000205747000 569255619 /nfs/dbraw/zinc/25/56/19/569255619.db2.gz PRQZDTKENFAEOS-XDHOZWIPSA-N 0 0 427.478 3.874 40 0 IHABRN COc1cc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000017723874 569262944 /nfs/dbraw/zinc/26/29/44/569262944.db2.gz UELMKLYKBHWQJF-VABKMULXSA-N 0 0 430.460 3.760 40 0 IHABRN O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1 ZINC000017953550 569282536 /nfs/dbraw/zinc/28/25/36/569282536.db2.gz YMZWCGXHMJOYJY-GQSCTRQFSA-N 0 0 435.863 3.691 40 0 IHABRN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)[C@@H](O)[C@H]3C(C)C)C(=O)[C@H](O)[C@@H]2C(C)C ZINC000008782775 569290664 /nfs/dbraw/zinc/29/06/64/569290664.db2.gz QNSJPNOLAYAJEG-RIQHXCIPSA-N 0 0 438.520 3.975 40 0 IHABRN CCCCN1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3c4c(ccc5cccnc54)C=C[C@H]3[C@H]2C1=O ZINC000009422958 569296066 /nfs/dbraw/zinc/29/60/66/569296066.db2.gz SZVXYWDZONQOJK-JYLXEMOASA-N 0 0 431.536 3.835 40 0 IHABRN O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 ZINC000009427290 569296381 /nfs/dbraw/zinc/29/63/81/569296381.db2.gz NKYUOQBQYKWOCJ-UFYCRDLUSA-N 0 0 446.979 3.823 40 0 IHABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000070688024 569315505 /nfs/dbraw/zinc/31/55/05/569315505.db2.gz MGMLBFBCDCPWIV-TUUPBKFUSA-N 0 0 446.628 3.944 40 0 biogenic IHABRN NC(=S)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242463812 569322199 /nfs/dbraw/zinc/32/21/99/569322199.db2.gz DMMXXYQEZOSGJJ-RRFJBIMHSA-N 0 0 430.776 3.945 40 0 IHABRN O=C(CN1CCC2(CC1)CC=CCN(Cc1ccc(F)cc1)C2=O)Nc1ccc(F)cc1 ZINC000019744735 569328187 /nfs/dbraw/zinc/32/81/87/569328187.db2.gz LDEAUEWLYRGOIA-UHFFFAOYSA-N 0 0 439.506 3.974 40 0 IHABRN CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)nc2ccccc21 ZINC000019759384 569328692 /nfs/dbraw/zinc/32/86/92/569328692.db2.gz ICJDXNNNEALXJQ-XMMPIXPASA-N 0 0 449.526 3.902 40 0 IHABRN Nc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1C(=O)NCc1ccccc1 ZINC000019766348 569329045 /nfs/dbraw/zinc/32/90/45/569329045.db2.gz VHKUHFLHTJPKHC-UHFFFAOYSA-N 0 0 446.526 3.682 40 0 IHABRN COc1ccccc1OCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000027915178 569403568 /nfs/dbraw/zinc/40/35/68/569403568.db2.gz NXBMRGMZGYMGGW-UHFFFAOYSA-N 0 0 441.505 3.741 40 0 IHABRN Cc1ccc(N(CC(=O)NCc2ccccc2F)S(=O)(=O)c2ccccc2)cc1C ZINC000003170685 569441205 /nfs/dbraw/zinc/44/12/05/569441205.db2.gz HDGCTNGAMLJPPE-UHFFFAOYSA-N 0 0 426.513 3.954 40 0 IHABRN COC[C@]1(C(N)=S)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624656 569458920 /nfs/dbraw/zinc/45/89/20/569458920.db2.gz OXOAOMWXKDCWAE-BQFCYCMXSA-N 0 0 430.378 3.852 40 0 IHABRN Cc1cnc(Nc2nccnc2C2CCN(C(=O)/C=C/c3csc(C)n3)CC2)s1 ZINC000585290963 569584774 /nfs/dbraw/zinc/58/47/74/569584774.db2.gz HSUJFAVOJWNNCY-ONEGZZNKSA-N 0 0 426.571 4.169 40 0 IHABRN CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1=O ZINC000004258948 291364352 /nfs/dbraw/zinc/36/43/52/291364352.db2.gz KVZDUAOAQQXOLC-PGRDOPGGSA-N 0 0 427.504 3.733 40 0 biogenic,in-vitro IHABRN CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 ZINC000253395198 291365774 /nfs/dbraw/zinc/36/57/74/291365774.db2.gz BQWBVMJTAKBSSY-QFIPXVFZSA-N 0 0 439.987 3.720 40 0 biogenic,in-vitro IHABRN CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000067896333 291366234 /nfs/dbraw/zinc/36/62/34/291366234.db2.gz BBZNBMUNAIMXMW-ISKFKSNPSA-N 0 0 440.540 3.531 40 0 biogenic,in-vitro IHABRN CSCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000005414984 291372731 /nfs/dbraw/zinc/37/27/31/291372731.db2.gz HJLIGPNVICWMIN-DZGCQCFKSA-N 0 0 438.471 3.723 40 0 biogenic,in-vitro IHABRN O=C(NC[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O)Nc1ccccc1 ZINC000077262945 291374910 /nfs/dbraw/zinc/37/49/10/291374910.db2.gz JYMWWOUNUXKZAU-ACIOBRDBSA-N 0 0 437.496 3.526 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1)c1cccs1 ZINC000004258921 291375430 /nfs/dbraw/zinc/37/54/30/291375430.db2.gz QWUCOJWAGHRLBB-GOEBONIOSA-N 0 0 437.496 3.561 40 0 biogenic,in-vitro IHABRN O=C1Nc2ccccc2[C@@]12c1c(=O)oc3ccccc3c1O[C@H]1c3ccccc3OC(=O)[C@H]12 ZINC000008856956 291376536 /nfs/dbraw/zinc/37/65/36/291376536.db2.gz SZXKKLUZNAQNME-HEKZAOSPSA-N 0 0 437.407 3.700 40 0 IHABRN O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 ZINC000008300306 291376828 /nfs/dbraw/zinc/37/68/28/291376828.db2.gz NSRHTMJXKTXFCY-LSDHHAIUSA-N 0 0 430.526 3.524 40 0 biogenic,in-vitro IHABRN COc1ccc(N(C(=O)c2cc[nH]n2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000006239875 193893688 /nfs/dbraw/zinc/89/36/88/193893688.db2.gz BQJQTGLEFSXVMH-HSZRJFAPSA-N 0 0 448.523 3.874 40 0 IHABRN CCc1cccc(C)c1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O ZINC000408603736 193973010 /nfs/dbraw/zinc/97/30/10/193973010.db2.gz CNRYGGKZNNHSSL-UHFFFAOYSA-N 0 0 439.375 3.720 40 0 IHABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000408615187 193981394 /nfs/dbraw/zinc/98/13/94/193981394.db2.gz MZZBXIQSUPCGSZ-IBGZPJMESA-N 0 0 443.503 3.617 40 0 IHABRN CCc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000010009321 132333841 /nfs/dbraw/zinc/33/38/41/132333841.db2.gz GRKMUDLWQPJIDJ-HSZRJFAPSA-N 0 0 436.533 3.985 40 0 IHABRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000013503927 132347485 /nfs/dbraw/zinc/34/74/85/132347485.db2.gz RAGRJIKFXUYWOD-DEOSSOPVSA-N 0 0 448.571 3.717 40 0 IHABRN CCOc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013503994 132347681 /nfs/dbraw/zinc/34/76/81/132347681.db2.gz WZULIHSQSXCMFM-JOCHJYFZSA-N 0 0 438.551 3.878 40 0 IHABRN Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013504613 132348305 /nfs/dbraw/zinc/34/83/05/132348305.db2.gz ARGZNTCZKOQLKE-DEOSSOPVSA-N 0 0 446.505 3.911 40 0 IHABRN COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000013504651 132348335 /nfs/dbraw/zinc/34/83/35/132348335.db2.gz MVFMXIYEQWCFLR-VWLOTQADSA-N 0 0 440.551 3.642 40 0 IHABRN CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc2c(c1)OCO2 ZINC000012638056 518747849 /nfs/dbraw/zinc/74/78/49/518747849.db2.gz BQZLLEPFWXELBP-IBGZPJMESA-N 0 0 438.509 3.570 40 0 IHABRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1Cl ZINC000012870858 518749596 /nfs/dbraw/zinc/74/95/96/518749596.db2.gz KGFFOZNAZGODNL-KRWDZBQOSA-N 0 0 429.933 3.889 40 0 IHABRN CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccccc3Cl)[C@H](O)[C@H]2[C@@H]1C ZINC000020466065 519701178 /nfs/dbraw/zinc/70/11/78/519701178.db2.gz BZEFESROWBFQRN-QZVZVCNTSA-N 0 0 435.008 3.920 40 0 biogenic,in-vitro IHABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000020452061 519779271 /nfs/dbraw/zinc/77/92/71/519779271.db2.gz XJZIOURIEJBDRO-UHFFFAOYSA-N 0 0 445.368 3.863 40 0 IHABRN CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2ccc(OC)cc2[nH]c1=O ZINC000035313764 519869606 /nfs/dbraw/zinc/86/96/06/519869606.db2.gz HBRKXKQKCVYRHE-XMMPIXPASA-N 0 0 436.508 3.828 40 0 IHABRN CCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000022268612 520220561 /nfs/dbraw/zinc/22/05/61/520220561.db2.gz IMJXKWLQSKFYOC-NRFANRHFSA-N 0 0 432.586 3.590 40 0 IHABRN CCCOc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 ZINC000022387373 520384552 /nfs/dbraw/zinc/38/45/52/520384552.db2.gz ZXCJCORGJMQEKN-UHFFFAOYSA-N 0 0 430.448 3.899 40 0 IHABRN CCOC(=O)C1CCN(c2ncc(-c3ccnc(N4CCCC4)n3)c(-c3ccco3)n2)CC1 ZINC000012275286 520587754 /nfs/dbraw/zinc/58/77/54/520587754.db2.gz RGAHSAWMUZGMPZ-UHFFFAOYSA-N 0 0 448.527 3.573 40 0 IHABRN CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000022247440 520660515 /nfs/dbraw/zinc/66/05/15/520660515.db2.gz OXRHHIXIKJQCDK-WIYYLYMNSA-N 0 0 432.586 3.588 40 0 IHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022537034 520693973 /nfs/dbraw/zinc/69/39/73/520693973.db2.gz UHMUJLGLHVGAFS-LJQANCHMSA-N 0 0 432.586 3.946 40 0 IHABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(F)ccc1F ZINC000022249143 520782576 /nfs/dbraw/zinc/78/25/76/520782576.db2.gz YQNGEXMLMXWWQQ-UHFFFAOYSA-N 0 0 432.876 3.666 40 0 IHABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(O)cc3)C2=O)cc1 ZINC000036007002 521039621 /nfs/dbraw/zinc/03/96/21/521039621.db2.gz RIWJAXKQAMZFDW-ZLNRFVROSA-N 0 0 430.460 3.842 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000016692592 521185085 /nfs/dbraw/zinc/18/50/85/521185085.db2.gz XGHDZEGBFRSFBG-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1C ZINC000022268227 521207323 /nfs/dbraw/zinc/20/73/23/521207323.db2.gz CRFZPLJXMWYNSK-JOCHJYFZSA-N 0 0 438.549 3.922 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCCC2)cc1C ZINC000022247389 521207609 /nfs/dbraw/zinc/20/76/09/521207609.db2.gz UWHGIOUJNLHHDB-JOCHJYFZSA-N 0 0 444.597 3.686 40 0 IHABRN CCOc1ccc([C@@H]2C(C(=O)OCCOC)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020633409 521235892 /nfs/dbraw/zinc/23/58/92/521235892.db2.gz KONDJQKJSVUTQV-JOCHJYFZSA-N 0 0 437.496 3.922 40 0 IHABRN CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497350 521304611 /nfs/dbraw/zinc/30/46/11/521304611.db2.gz ASKYGVKMRJNGRU-MSZDEVHKSA-N 0 0 434.536 3.856 40 0 IHABRN CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccco2)C1 ZINC000012156754 521355187 /nfs/dbraw/zinc/35/51/87/521355187.db2.gz QQIVZZFJNHHPPN-JPYJTQIMSA-N 0 0 428.460 3.788 40 0 IHABRN CCOc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 ZINC000022426636 521382838 /nfs/dbraw/zinc/38/28/38/521382838.db2.gz NKZXOTBELKYJQZ-HXUWFJFHSA-N 0 0 446.569 3.578 40 0 IHABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(-c2ccccc2O)n1 ZINC000012483535 521391126 /nfs/dbraw/zinc/39/11/26/521391126.db2.gz UMSBDVPQHJMNEF-UHFFFAOYSA-N 0 0 432.527 3.763 40 0 IHABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000022252008 521480199 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0 IHABRN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000022102842 522434732 /nfs/dbraw/zinc/43/47/32/522434732.db2.gz ZVVCGFNPWQUFIO-LOEAVSEUSA-N 0 0 443.544 3.571 40 0 IHABRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(C)cc1 ZINC000020110842 522760179 /nfs/dbraw/zinc/76/01/79/522760179.db2.gz MYCILIQUKLBTPG-DENIHFKCSA-N 0 0 430.570 3.672 40 0 IHABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 ZINC000012241600 522899034 /nfs/dbraw/zinc/89/90/34/522899034.db2.gz HRIHLVLNRZWCOW-FQEVSTJZSA-N 0 0 436.487 3.947 40 0 IHABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 ZINC000012241596 523062889 /nfs/dbraw/zinc/06/28/89/523062889.db2.gz HRIHLVLNRZWCOW-HXUWFJFHSA-N 0 0 436.487 3.947 40 0 IHABRN CCn1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccsc3)c3ccc(C)cn3)ccc21 ZINC000012229427 523111851 /nfs/dbraw/zinc/11/18/51/523111851.db2.gz KVOKNXPTJSBSMH-GOSISDBHSA-N 0 0 443.550 3.642 40 0 IHABRN CN(Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)o1)S(C)(=O)=O ZINC000020450065 523198110 /nfs/dbraw/zinc/19/81/10/523198110.db2.gz AMTBNFNUKPSGQU-SOFGYWHQSA-N 0 0 436.839 3.995 40 0 IHABRN CCn1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237052 523337934 /nfs/dbraw/zinc/33/79/34/523337934.db2.gz JRMYQMODNIOBBY-UHFFFAOYSA-N 0 0 434.414 3.987 40 0 IHABRN CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 ZINC000012159489 523444214 /nfs/dbraw/zinc/44/42/14/523444214.db2.gz HMTXHWLSTJICPR-HXUWFJFHSA-N 0 0 430.530 3.873 40 0 IHABRN COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000035291851 523683520 /nfs/dbraw/zinc/68/35/20/523683520.db2.gz IIHPVTYQTLMZOI-UHFFFAOYSA-N 0 0 435.446 3.547 40 0 IHABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000022229884 523796557 /nfs/dbraw/zinc/79/65/57/523796557.db2.gz FBSHMTUCTGKOCF-QGZVFWFLSA-N 0 0 442.459 3.814 40 0 IHABRN COc1ccc(C2(NC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)CCCC2)cc1 ZINC000012143117 523870735 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CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NCCc4ccccc4)C3)cc2N1 ZINC000019500907 556772751 /nfs/dbraw/zinc/77/27/51/556772751.db2.gz QSHQDKWTXMNNIN-WSTZPKSXSA-N 0 0 449.521 3.729 40 0 IHABRN CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000019502044 556773285 /nfs/dbraw/zinc/77/32/85/556773285.db2.gz ILKNXVBYDHWGND-AZXNSQLWSA-N 0 0 442.462 3.517 40 0 IHABRN CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000019502661 556773579 /nfs/dbraw/zinc/77/35/79/556773579.db2.gz ZQUGXKOLKIJXTI-DEOSSOPVSA-N 0 0 444.579 3.949 40 0 IHABRN CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000019502733 556773695 /nfs/dbraw/zinc/77/36/95/556773695.db2.gz GCUVVVRJDXOPBV-QHCPKHFHSA-N 0 0 430.552 3.640 40 0 IHABRN CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000019502750 556773760 /nfs/dbraw/zinc/77/37/60/556773760.db2.gz NUWXFGHGHYRZKW-NRFANRHFSA-N 0 0 448.542 3.780 40 0 IHABRN CCCN1CCN(C(=O)c2cc[nH]n2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000019502744 556773769 /nfs/dbraw/zinc/77/37/69/556773769.db2.gz ZANUNLGMQVPWTO-HXUWFJFHSA-N 0 0 434.515 3.769 40 0 IHABRN CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000019502756 556773786 /nfs/dbraw/zinc/77/37/86/556773786.db2.gz JADBEYLRIBJYQR-OAQYLSRUSA-N 0 0 448.542 3.780 40 0 IHABRN CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019502898 556773895 /nfs/dbraw/zinc/77/38/95/556773895.db2.gz NFQPICJJFZZQTH-FQEVSTJZSA-N 0 0 436.581 3.702 40 0 IHABRN CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O ZINC000019503025 556774299 /nfs/dbraw/zinc/77/42/99/556774299.db2.gz UHYBDMAWMFBBLF-QHCPKHFHSA-N 0 0 430.552 3.640 40 0 IHABRN CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019503207 556774751 /nfs/dbraw/zinc/77/47/51/556774751.db2.gz HCIHUXIXCLISNR-JOCHJYFZSA-N 0 0 430.552 3.640 40 0 IHABRN CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019503197 556774783 /nfs/dbraw/zinc/77/47/83/556774783.db2.gz RNROTKRRTBOOBR-QFIPXVFZSA-N 0 0 430.552 3.938 40 0 IHABRN CCc1onc(C)c1C(=O)NCCn1nc(-c2ccc(OC)cc2)cc1-c1cccnc1 ZINC000019521156 556778047 /nfs/dbraw/zinc/77/80/47/556778047.db2.gz BSPZFIKBHZFDIP-UHFFFAOYSA-N 0 0 431.496 3.910 40 0 IHABRN O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000001347100 556780261 /nfs/dbraw/zinc/78/02/61/556780261.db2.gz MZKSDMDVLQVECV-HXUWFJFHSA-N 0 0 440.540 3.739 40 0 IHABRN CCOc1ccc2nc(NC(=O)CSc3nnnn3-c3cccc(F)c3)sc2c1 ZINC000001353658 556781457 /nfs/dbraw/zinc/78/14/57/556781457.db2.gz GLNNEJNDVDZHIU-UHFFFAOYSA-N 0 0 430.490 3.541 40 0 IHABRN CCn1cc(C[NH+]2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019524512 556781789 /nfs/dbraw/zinc/78/17/89/556781789.db2.gz PHCDGRBZHQSPBF-FQEVSTJZSA-N 0 0 428.508 3.601 40 0 IHABRN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1cccs1)C1CC1 ZINC000001357684 556783451 /nfs/dbraw/zinc/78/34/51/556783451.db2.gz DJPQUXXCYGTONO-UHFFFAOYSA-N 0 0 439.002 3.993 40 0 IHABRN CCN1CCN(C(=O)c2cnn(C(C)C)c2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527390 556785668 /nfs/dbraw/zinc/78/56/68/556785668.db2.gz AFKFZVNQHGRXBD-HSZRJFAPSA-N 0 0 445.567 3.689 40 0 IHABRN CCN1CCN(C(=O)[C@@H](C)n2nccc2C)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527634 556786541 /nfs/dbraw/zinc/78/65/41/556786541.db2.gz WAGVPMAJKGLTCM-QPPBQGQZSA-N 0 0 444.579 3.969 40 0 IHABRN CCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000019527685 556786954 /nfs/dbraw/zinc/78/69/54/556786954.db2.gz JFPSGKCCLKDPNF-FQEVSTJZSA-N 0 0 446.551 3.557 40 0 IHABRN CCN1c2ncccc2C(=O)NC12CCN(Cc1cccn1Cc1ccccc1F)CC2 ZINC000019528319 556787803 /nfs/dbraw/zinc/78/78/03/556787803.db2.gz OGLJDYNOQWUSHM-UHFFFAOYSA-N 0 0 433.531 3.633 40 0 IHABRN CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2c(C)noc2C)C1 ZINC000019528573 556788341 /nfs/dbraw/zinc/78/83/41/556788341.db2.gz UBMKOZAEKKMKRX-SANMLTNESA-N 0 0 446.551 3.955 40 0 IHABRN CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2ccccn2)C1 ZINC000019528641 556788533 /nfs/dbraw/zinc/78/85/33/556788533.db2.gz QHKOAYXYAKSMJX-SANMLTNESA-N 0 0 428.536 3.745 40 0 IHABRN COc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc(OC)c1OC ZINC000001364499 556789814 /nfs/dbraw/zinc/78/98/14/556789814.db2.gz DXNIUHGXUAEECR-ZDUSSCGKSA-N 0 0 429.498 3.844 40 0 IHABRN CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2cnccn2)C1 ZINC000019529100 556790269 /nfs/dbraw/zinc/79/02/69/556790269.db2.gz XOFBTLARPQRFQK-AREMUKBSSA-N 0 0 428.536 3.663 40 0 IHABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2ccncc2)CCO1 ZINC000019529305 556790910 /nfs/dbraw/zinc/79/09/10/556790910.db2.gz FMQZWAVKKWQSBV-MHZLTWQESA-N 0 0 443.547 3.647 40 0 IHABRN O=C(NCc1ccccc1)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc32)CC1 ZINC000001370686 556792734 /nfs/dbraw/zinc/79/27/34/556792734.db2.gz FNMXVHWJCPDPEL-UHFFFAOYSA-N 0 0 448.527 3.924 40 0 IHABRN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)cc1 ZINC000019532885 556793066 /nfs/dbraw/zinc/79/30/66/556793066.db2.gz YPHJKWZWBJVOOX-JOCHJYFZSA-N 0 0 446.555 3.772 40 0 IHABRN CCOc1ccc(O[C@@H](C)C(=O)N2C[C@@H](c3cccc(F)c3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000019533598 556793668 /nfs/dbraw/zinc/79/36/68/556793668.db2.gz GEJRZTBQKSDITB-QOKIKDITSA-N 0 0 440.515 3.657 40 0 IHABRN COc1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)ccn1 ZINC000019550279 556795153 /nfs/dbraw/zinc/79/51/53/556795153.db2.gz VMVJEKNQWAVWQO-UHFFFAOYSA-N 0 0 430.512 3.536 40 0 IHABRN COc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c(OC)c1 ZINC000019551942 556795955 /nfs/dbraw/zinc/79/59/55/556795955.db2.gz QRSBBOVBSMUHCZ-SFHVURJKSA-N 0 0 425.510 3.883 40 0 IHABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnc(C)nc2C)C1 ZINC000019552376 556796264 /nfs/dbraw/zinc/79/62/64/556796264.db2.gz FLSZCUMBFBXPCK-SANMLTNESA-N 0 0 428.536 3.581 40 0 IHABRN COc1ccc(C(=O)c2cn(CC(=O)N[C@@H]3CCOc4ccccc43)c3cnccc23)cc1 ZINC000019553221 556797018 /nfs/dbraw/zinc/79/70/18/556797018.db2.gz YUHMPUOAVFQTQE-JOCHJYFZSA-N 0 0 441.487 3.916 40 0 IHABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1 ZINC000001382494 556797201 /nfs/dbraw/zinc/79/72/01/556797201.db2.gz OQMAZSGMQHMZGS-QFIPXVFZSA-N 0 0 432.528 3.540 40 0 IHABRN COc1ccc(CC(=O)N2CC[C@@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)cc1 ZINC000019554017 556797466 /nfs/dbraw/zinc/79/74/66/556797466.db2.gz JRAQCPSINOKFQZ-VWLOTQADSA-N 0 0 434.561 3.913 40 0 IHABRN COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2oc(C)nc2C)C3)cc1OC ZINC000019559371 556801303 /nfs/dbraw/zinc/80/13/03/556801303.db2.gz ACXLMOYGQPRRCJ-IAGOWNOFSA-N 0 0 437.500 3.707 40 0 IHABRN COc1ccc(C(=O)NCCNc2nc(-c3ccncc3)cc3ncccc32)cc1OC ZINC000019559887 556801529 /nfs/dbraw/zinc/80/15/29/556801529.db2.gz STAZGQHNAGZXDF-UHFFFAOYSA-N 0 0 429.480 3.551 40 0 IHABRN Cc1nc(C)c(C(=O)N2CCC(O)(Cn3ccc4nc(-c5ccncc5)ccc43)CC2)s1 ZINC000019559992 556801606 /nfs/dbraw/zinc/80/16/06/556801606.db2.gz FDGXEGWRALGGKO-UHFFFAOYSA-N 0 0 447.564 3.839 40 0 IHABRN Cc1nc(C)c(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)s1 ZINC000019560233 556801804 /nfs/dbraw/zinc/80/18/04/556801804.db2.gz VIAMUGZSYRXMNE-IBGZPJMESA-N 0 0 431.521 3.619 40 0 IHABRN COc1ccc(-c2cnc3c(c2)CN(C(=O)c2ccc4c(c2)OCCO4)CC3)cc1OC ZINC000019561540 556802845 /nfs/dbraw/zinc/80/28/45/556802845.db2.gz ANRRSTNPCSURLH-UHFFFAOYSA-N 0 0 432.476 3.736 40 0 IHABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccccc3C)cc2)cc1 ZINC000059823611 556804555 /nfs/dbraw/zinc/80/45/55/556804555.db2.gz UHQWIFIZEQMQKG-UHFFFAOYSA-N 0 0 438.549 3.937 40 0 IHABRN Cc1c(C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)oc2c1C(=O)CCC2 ZINC000019565232 556806263 /nfs/dbraw/zinc/80/62/63/556806263.db2.gz MMQZEZDPDLLGKG-UHFFFAOYSA-N 0 0 429.427 3.502 40 0 IHABRN COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@H](Cc2cccc(-c3ccccc3)c2)C1 ZINC000019566939 556807360 /nfs/dbraw/zinc/80/73/60/556807360.db2.gz UFNQSFBDNVCEHV-JOCHJYFZSA-N 0 0 444.531 3.802 40 0 IHABRN COc1cccc(-c2noc([C@@H]3CN(C(=O)c4cc5c(s4)CCCC5)CCO3)n2)c1 ZINC000019566773 556807378 /nfs/dbraw/zinc/80/73/78/556807378.db2.gz KFABRZSIEHJBRO-KRWDZBQOSA-N 0 0 425.510 3.899 40 0 IHABRN COc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 ZINC000019568909 556808933 /nfs/dbraw/zinc/80/89/33/556808933.db2.gz COXLTBVHHQGAAU-NRFANRHFSA-N 0 0 426.476 3.554 40 0 IHABRN Cc1cc(O[C@@H](C)C(=O)N2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)cc(C)c1Cl ZINC000019569896 556810101 /nfs/dbraw/zinc/81/01/01/556810101.db2.gz ZXOAUBXHHNSLEZ-JKSUJKDBSA-N 0 0 441.919 3.970 40 0 IHABRN COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)COc2ccccc2)CCNC1=O ZINC000019571771 556811970 /nfs/dbraw/zinc/81/19/70/556811970.db2.gz WPPDQMONCIRQJS-NRFANRHFSA-N 0 0 444.531 3.558 40 0 IHABRN CSCC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019573976 556814017 /nfs/dbraw/zinc/81/40/17/556814017.db2.gz OSBORVNANBENDF-HXUWFJFHSA-N 0 0 434.565 3.935 40 0 IHABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)C4(c5ccc(OC)cc5)CC4)nn3cn2)cc1 ZINC000019574355 556814450 /nfs/dbraw/zinc/81/44/50/556814450.db2.gz 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CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000409023810 556923745 /nfs/dbraw/zinc/92/37/45/556923745.db2.gz QQUBSWSJVGQGEU-QUYZQLMHSA-N 0 0 437.496 3.712 40 0 IHABRN CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc21 ZINC000072352684 556925034 /nfs/dbraw/zinc/92/50/34/556925034.db2.gz HKRSFAHVRHYRPM-DEOSSOPVSA-N 0 0 431.536 3.906 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCCSCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000409026845 556926432 /nfs/dbraw/zinc/92/64/32/556926432.db2.gz ZUTRCWNOVWGXFH-UHFFFAOYSA-N 0 0 447.409 3.809 40 0 IHABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353442 556926805 /nfs/dbraw/zinc/92/68/05/556926805.db2.gz ALVSISIYFHVTLF-QGZVFWFLSA-N 0 0 427.530 3.702 40 0 IHABRN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)n1 ZINC000072353704 556927686 /nfs/dbraw/zinc/92/76/86/556927686.db2.gz BEQOSAZYCSOCLK-LJQANCHMSA-N 0 0 431.540 3.831 40 0 IHABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 ZINC000072354055 556928868 /nfs/dbraw/zinc/92/88/68/556928868.db2.gz ZQRADLWKAICHIE-FQEVSTJZSA-N 0 0 425.960 3.963 40 0 IHABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072359564 556932485 /nfs/dbraw/zinc/93/24/85/556932485.db2.gz BHNLXFQBZDVUOR-QFIPXVFZSA-N 0 0 431.536 3.983 40 0 IHABRN Cn1cc(C(=O)N2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)ccc1=O ZINC000072359784 556932758 /nfs/dbraw/zinc/93/27/58/556932758.db2.gz JCIQESQGOOJBRL-INIZCTEOSA-N 0 0 442.441 3.881 40 0 IHABRN COc1ccc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409056642 556934119 /nfs/dbraw/zinc/93/41/19/556934119.db2.gz HPEHZTJFHYOZQT-UHFFFAOYSA-N 0 0 442.512 3.972 40 0 IHABRN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1ccc(-n2cccn2)nc1 ZINC000072370327 556934480 /nfs/dbraw/zinc/93/44/80/556934480.db2.gz VBYNKSOJQAZLAF-KRWDZBQOSA-N 0 0 445.548 3.689 40 0 IHABRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(OC)c1OC ZINC000409054689 556938249 /nfs/dbraw/zinc/93/82/49/556938249.db2.gz VNCGWXLTDREGJY-PDGQHHTCSA-N 0 0 433.457 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ZINC000072373207 556945826 /nfs/dbraw/zinc/94/58/26/556945826.db2.gz NWMGSNLAXLMRRC-UHFFFAOYSA-N 0 0 432.524 3.508 40 0 IHABRN O=C(N[C@H]1CCCc2ccccc21)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000019931108 556948769 /nfs/dbraw/zinc/94/87/69/556948769.db2.gz SPZKBMNDRCJKFB-BJKOFHAPSA-N 0 0 434.561 3.770 40 0 IHABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc(F)c(Cl)c1 ZINC000019935319 556950683 /nfs/dbraw/zinc/95/06/83/556950683.db2.gz GLDFOJBINWGHHR-UHFFFAOYSA-N 0 0 447.315 3.935 40 0 IHABRN CNc1nc([C@@H]2CCCCN2C)nc2c1CCN(C(=O)C(C)(C)c1cccc(F)c1)C2 ZINC000072376582 556955063 /nfs/dbraw/zinc/95/50/63/556955063.db2.gz XTOKNOVJULRCOV-FQEVSTJZSA-N 0 0 425.552 3.677 40 0 IHABRN CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)c2ccc(OC)cc2)nc2c1CCN(C)C2 ZINC000072376585 556955160 /nfs/dbraw/zinc/95/51/60/556955160.db2.gz IRFHAKYOGCYMFE-NRFANRHFSA-N 0 0 437.588 3.546 40 0 IHABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C ZINC000020006879 556958640 /nfs/dbraw/zinc/95/86/40/556958640.db2.gz XPXQNNLRZPWTHH-OAQYLSRUSA-N 0 0 438.549 3.840 40 0 IHABRN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000020007666 556958687 /nfs/dbraw/zinc/95/86/87/556958687.db2.gz DNWHNNRMRSDFEN-HTAPYJJXSA-N 0 0 426.513 3.593 40 0 IHABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1C ZINC000020007762 556958915 /nfs/dbraw/zinc/95/89/15/556958915.db2.gz PRQJPWIPNRLMSV-QFIPXVFZSA-N 0 0 426.513 3.971 40 0 IHABRN CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007771 556958970 /nfs/dbraw/zinc/95/89/70/556958970.db2.gz GNWSFGCLJARVBM-JOCHJYFZSA-N 0 0 426.513 3.916 40 0 IHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2F)cc1C ZINC000020008730 556959617 /nfs/dbraw/zinc/95/96/17/556959617.db2.gz QBJJYBHBVCFXAD-NRFANRHFSA-N 0 0 442.512 3.671 40 0 IHABRN CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009889 556959943 /nfs/dbraw/zinc/95/99/43/556959943.db2.gz VZNRBEOPQUGAFV-QAPCUYQASA-N 0 0 438.977 3.543 40 0 IHABRN CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccn(CC)n2)C1 ZINC000072390576 556961062 /nfs/dbraw/zinc/96/10/62/556961062.db2.gz WCLAXBLTHKEFRT-AREMUKBSSA-N 0 0 430.552 3.781 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000020015711 556961937 /nfs/dbraw/zinc/96/19/37/556961937.db2.gz LGIZIVKOAWONBF-CYBMUJFWSA-N 0 0 442.990 3.568 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1C ZINC000020017381 556962966 /nfs/dbraw/zinc/96/29/66/556962966.db2.gz FHJRSQLHYWVFNT-OAHLLOKOSA-N 0 0 438.496 3.711 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(SC)cc3)CC2)cc1 ZINC000020017925 556963176 /nfs/dbraw/zinc/96/31/76/556963176.db2.gz MHZUGPRUSXGURK-INIZCTEOSA-N 0 0 448.610 3.695 40 0 IHABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409131966 556963563 /nfs/dbraw/zinc/96/35/63/556963563.db2.gz QAIUGVZWDXCSQT-CQSZACIVSA-N 0 0 427.505 3.659 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(F)c(F)c1 ZINC000020018982 556963702 /nfs/dbraw/zinc/96/37/02/556963702.db2.gz HZKLDCYYMXLAEV-UHFFFAOYSA-N 0 0 446.475 3.503 40 0 IHABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000020019267 556963905 /nfs/dbraw/zinc/96/39/05/556963905.db2.gz XBUWFKQEXBAYAW-OAHLLOKOSA-N 0 0 436.961 3.817 40 0 IHABRN CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409132503 556963932 /nfs/dbraw/zinc/96/39/32/556963932.db2.gz YJGGAPIQIBLLBD-INIZCTEOSA-N 0 0 438.557 3.532 40 0 IHABRN CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409132505 556963936 /nfs/dbraw/zinc/96/39/36/556963936.db2.gz YJGGAPIQIBLLBD-MRXNPFEDSA-N 0 0 438.557 3.532 40 0 IHABRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000409123984 556964109 /nfs/dbraw/zinc/96/41/09/556964109.db2.gz GFTSBQCJRHTNQK-UHFFFAOYSA-N 0 0 428.941 3.847 40 0 IHABRN Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C ZINC000020021944 556965300 /nfs/dbraw/zinc/96/53/00/556965300.db2.gz AMGSZHORBYEALQ-UHFFFAOYSA-N 0 0 442.512 3.939 40 0 IHABRN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)c1 ZINC000409127165 556965882 /nfs/dbraw/zinc/96/58/82/556965882.db2.gz PDXSWSRPLKFTGY-KRWDZBQOSA-N 0 0 437.569 3.962 40 0 IHABRN CCOc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000072395363 556966935 /nfs/dbraw/zinc/96/69/35/556966935.db2.gz DHUQPPNPKSDUIK-GJZGRUSLSA-N 0 0 445.470 3.634 40 0 IHABRN COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000020025103 556966989 /nfs/dbraw/zinc/96/69/89/556966989.db2.gz AHVHLQHTHPMCEG-KRWDZBQOSA-N 0 0 446.569 3.760 40 0 IHABRN O=C(CCCOc1ccccc1F)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000072395378 556967012 /nfs/dbraw/zinc/96/70/12/556967012.db2.gz DIZANJPSQVOMJG-CQSZACIVSA-N 0 0 433.434 3.766 40 0 IHABRN O=C(CN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O)N1CCOCC1 ZINC000409129305 556967065 /nfs/dbraw/zinc/96/70/65/556967065.db2.gz JGWZBOCINNKPLQ-RGEXLXHISA-N 0 0 440.546 3.733 40 0 IHABRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 ZINC000409135734 556969359 /nfs/dbraw/zinc/96/93/59/556969359.db2.gz RZNQOPAESQWDNR-QGZVFWFLSA-N 0 0 437.569 3.962 40 0 IHABRN CN(C(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)C1CCCCC1 ZINC000020038474 556970864 /nfs/dbraw/zinc/97/08/64/556970864.db2.gz SWTNTWIQVOFSPQ-QFIPXVFZSA-N 0 0 428.554 3.575 40 0 IHABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000020046740 556973598 /nfs/dbraw/zinc/97/35/98/556973598.db2.gz UADAXQZJVKJRIG-MRXNPFEDSA-N 0 0 434.533 3.746 40 0 IHABRN COCCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O ZINC000409147959 556973638 /nfs/dbraw/zinc/97/36/38/556973638.db2.gz XFNDTSSBMLYYEZ-DEDYPNTBSA-N 0 0 435.505 3.963 40 0 IHABRN COc1ccccc1CN(C)C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000020049064 556974439 /nfs/dbraw/zinc/97/44/39/556974439.db2.gz XYWRZKAMVLGTPN-UHFFFAOYSA-N 0 0 438.549 3.934 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020061658 556976183 /nfs/dbraw/zinc/97/61/83/556976183.db2.gz 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/nfs/dbraw/zinc/88/80/58/568888058.db2.gz ASVPTQBYZJLOTK-GASCZTMLSA-N 0 0 441.329 3.999 40 0 IHABRN Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000222471077 569182058 /nfs/dbraw/zinc/18/20/58/569182058.db2.gz MBKRWMDBOTTZSD-WZONZLPQSA-N 0 0 428.540 3.693 40 0 IHABRN CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000248271123 569207691 /nfs/dbraw/zinc/20/76/91/569207691.db2.gz VUJVJOZZDXQWFL-PXNSSMCTSA-N 0 0 430.570 3.536 40 0 IHABRN Cc1c(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCC3 ZINC000004073216 569212025 /nfs/dbraw/zinc/21/20/25/569212025.db2.gz ANYNUAYZGOSFKZ-TZPNTHKFSA-N 0 0 425.525 3.511 40 0 IHABRN CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1CSc1nnc(N)s1 ZINC000002689633 569212657 /nfs/dbraw/zinc/21/26/57/569212657.db2.gz BWLICAKWKKRIHS-UHFFFAOYSA-N 0 0 443.348 3.549 40 0 IHABRN CCCCCOc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000008660786 569214108 /nfs/dbraw/zinc/21/41/08/569214108.db2.gz KOTQDXOXUNHJPR-HZKQSDJQSA-N 0 0 435.517 3.591 40 0 IHABRN COc1ccc2c(c1)O[C@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1 ZINC000009407636 569215174 /nfs/dbraw/zinc/21/51/74/569215174.db2.gz PGXHVZQBJKTZML-QMHWCDLVSA-N 0 0 429.538 3.547 40 0 IHABRN Cc1ccc(NC(SCc2ccc([N+](=O)[O-])cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973829 569220415 /nfs/dbraw/zinc/22/04/15/569220415.db2.gz TZDCURFEXBMITL-UHFFFAOYSA-N 0 0 440.481 3.511 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 ZINC000009974472 569220621 /nfs/dbraw/zinc/22/06/21/569220621.db2.gz VRWLTZHSCZCBNW-AWEZNQCLSA-N 0 0 442.459 3.753 40 0 IHABRN CC(C)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000010041589 569220949 /nfs/dbraw/zinc/22/09/49/569220949.db2.gz ZMPYOHCHTWKVNF-ZDUSSCGKSA-N 0 0 425.348 3.878 40 0 IHABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(C(C)C)cc2)C1C(=O)c1ccc(Cl)cc1 ZINC000010231947 569221724 /nfs/dbraw/zinc/22/17/24/569221724.db2.gz XYLYHOBODXMPBN-LJQANCHMSA-N 0 0 437.887 3.775 40 0 IHABRN CCOc1ccc(C(=O)C2C(C(=O)OC)=Nc3nnnn3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000010232122 569221832 /nfs/dbraw/zinc/22/18/32/569221832.db2.gz VCLGBVNWMIRXHV-NRFANRHFSA-N 0 0 447.495 3.520 40 0 IHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2SC)CC1 ZINC000010323858 569222947 /nfs/dbraw/zinc/22/29/47/569222947.db2.gz OIDGBKKCVWZBIB-UHFFFAOYSA-N 0 0 438.546 3.596 40 0 IHABRN COc1cc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(OC)cc1Cl ZINC000010338477 569223602 /nfs/dbraw/zinc/22/36/02/569223602.db2.gz ADTWSILBSBGBKR-AWEZNQCLSA-N 0 0 440.949 3.767 40 0 IHABRN COC[C@@H](C)NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000010369446 569224087 /nfs/dbraw/zinc/22/40/87/569224087.db2.gz VZHMZXBTRFCQMJ-CYBMUJFWSA-N 0 0 445.368 3.724 40 0 IHABRN CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000014908956 569225287 /nfs/dbraw/zinc/22/52/87/569225287.db2.gz RYGNJVWMASFWOD-UHFFFAOYSA-N 0 0 430.526 3.599 40 0 IHABRN Cc1cc(C)nc(NCCC(=O)N2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)n1 ZINC000019692277 569227801 /nfs/dbraw/zinc/22/78/01/569227801.db2.gz TUYOUFXRYMEJSP-QHCPKHFHSA-N 0 0 449.530 3.620 40 0 IHABRN O=C(CN1Cc2ccccc2C1)N1CCO[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019692343 569227904 /nfs/dbraw/zinc/22/79/04/569227904.db2.gz SCJHSYFZUBHIGS-RUZDIDTESA-N 0 0 431.511 3.727 40 0 IHABRN Cc1nonc1C(=O)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019692903 569228434 /nfs/dbraw/zinc/22/84/34/569228434.db2.gz ZCNIDHIYAPTPGL-SFHVURJKSA-N 0 0 432.402 3.596 40 0 IHABRN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(Cc3cnc(C(C)C)nc3)CCO2)cc1 ZINC000019692945 569228490 /nfs/dbraw/zinc/22/84/90/569228490.db2.gz IAAQWSGCXQPKNY-JOCHJYFZSA-N 0 0 448.571 3.705 40 0 IHABRN O=C(COc1ccc(F)cc1F)N1CCO[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000019693465 569228824 /nfs/dbraw/zinc/22/88/24/569228824.db2.gz GQWKJATUGRKJCX-IBGZPJMESA-N 0 0 429.398 3.540 40 0 IHABRN Cc1cc(C)nc(NCCC(=O)N2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)n1 ZINC000019693494 569228939 /nfs/dbraw/zinc/22/89/39/569228939.db2.gz FKKDCGBGMYHAAE-JOCHJYFZSA-N 0 0 435.503 3.697 40 0 IHABRN COc1ccc(CN(C)CC(=O)N2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)cc1 ZINC000019693668 569229168 /nfs/dbraw/zinc/22/91/68/569229168.db2.gz ABYKKWGIQAKJOC-RUZDIDTESA-N 0 0 449.526 3.928 40 0 IHABRN Cc1cccn2cc(C(=O)N3CC[C@H](c4nc(N(C)C)ncc4-c4cccc(F)c4)C3)nc12 ZINC000019695049 569229532 /nfs/dbraw/zinc/22/95/32/569229532.db2.gz ASAVCYMFINGYAS-SFHVURJKSA-N 0 0 444.514 3.935 40 0 IHABRN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 ZINC000019702102 569231701 /nfs/dbraw/zinc/23/17/01/569231701.db2.gz JIQXXUNZFMRQCJ-AWEZNQCLSA-N 0 0 426.517 3.565 40 0 IHABRN O=C(c1sc2ncccc2c1[C@@H]1CN(CC2CCCCC2)CCO1)N1CCOCC1 ZINC000019703184 569232675 /nfs/dbraw/zinc/23/26/75/569232675.db2.gz NDGSMZCLPGXWHB-IBGZPJMESA-N 0 0 429.586 3.722 40 0 IHABRN CCCOC1CCN(C(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)CC1 ZINC000019703508 569233159 /nfs/dbraw/zinc/23/31/59/569233159.db2.gz PARWCCCSBOTJMB-VWLOTQADSA-N 0 0 439.556 3.540 40 0 IHABRN COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCN(C(=O)c4scnc4C)C3)ccc12 ZINC000019705110 569233997 /nfs/dbraw/zinc/23/39/97/569233997.db2.gz UKLWFTTTYJKRGW-MRXNPFEDSA-N 0 0 448.552 3.973 40 0 IHABRN COc1ccc(OCc2sc([C@]3(O)CCCN(C(=O)C(C)(C)OC)CC3)nc2C)cc1 ZINC000019705379 569234304 /nfs/dbraw/zinc/23/43/04/569234304.db2.gz QOTHLPMKNCXMAJ-QHCPKHFHSA-N 0 0 448.585 3.664 40 0 IHABRN Cn1nccc1C(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000019713115 569235408 /nfs/dbraw/zinc/23/54/08/569235408.db2.gz IGGZOBQNVDWVTN-MSOLQXFVSA-N 0 0 434.462 3.625 40 0 IHABRN Cc1nc([C@]2(O)CCCN(Cc3ccnn3C)CC2)sc1CCOc1ccccc1F ZINC000019738720 569235890 /nfs/dbraw/zinc/23/58/90/569235890.db2.gz UFSMLAAELUBDSS-QHCPKHFHSA-N 0 0 444.576 3.819 40 0 IHABRN Cc1ncsc1C(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000019738792 569236012 /nfs/dbraw/zinc/23/60/12/569236012.db2.gz JOPVGOJAEGKXQH-SFHVURJKSA-N 0 0 447.564 3.659 40 0 IHABRN Cc1nc([C@@H]2CCN(C(=O)CCCc3ccccn3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000019738984 569236321 /nfs/dbraw/zinc/23/63/21/569236321.db2.gz 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Cc1nc(C2CCN(C(=O)Cn3ccnc3C(C)C)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764246 569238358 /nfs/dbraw/zinc/23/83/58/569238358.db2.gz YPTIIDYSVUTBCF-UHFFFAOYSA-N 0 0 446.555 3.763 40 0 IHABRN Cc1noc(C)c1COc1ccc(CN2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1 ZINC000019764491 569238369 /nfs/dbraw/zinc/23/83/69/569238369.db2.gz RRPQNGHIEZMLJE-QFIPXVFZSA-N 0 0 435.528 3.795 40 0 IHABRN CCCc1cc(C(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccccc4OC)c(C)n3)C2)no1 ZINC000019766129 569239200 /nfs/dbraw/zinc/23/92/00/569239200.db2.gz AQPZPOBWBLFZGT-INIZCTEOSA-N 0 0 449.511 3.616 40 0 IHABRN Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000019767092 569239704 /nfs/dbraw/zinc/23/97/04/569239704.db2.gz KWJXRPZMUBQCSX-FQEVSTJZSA-N 0 0 446.548 3.512 40 0 IHABRN Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2C(=O)Cn2ccnc2C(C)C)n1 ZINC000019767174 569239715 /nfs/dbraw/zinc/23/97/15/569239715.db2.gz XLDVJZXPUKOZHH-FQEVSTJZSA-N 0 0 438.576 3.531 40 0 IHABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000021131411 569241457 /nfs/dbraw/zinc/24/14/57/569241457.db2.gz ZIYOKHMBGIBRSS-NSHDSACASA-N 0 0 425.243 3.667 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OCC)CC2)cc1 ZINC000023652496 569241834 /nfs/dbraw/zinc/24/18/34/569241834.db2.gz ZWNXOHMBYBYUQP-UHFFFAOYSA-N 0 0 432.542 3.523 40 0 IHABRN CSc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C(=O)N1CCOCC1 ZINC000026117037 569242454 /nfs/dbraw/zinc/24/24/54/569242454.db2.gz TTYVBYDKRZHUPX-UHFFFAOYSA-N 0 0 442.562 3.835 40 0 IHABRN CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000033525519 569244385 /nfs/dbraw/zinc/24/43/85/569244385.db2.gz LXNVZWCVEGRNQL-AWEZNQCLSA-N 0 0 444.586 3.593 40 0 IHABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000033622301 569245074 /nfs/dbraw/zinc/24/50/74/569245074.db2.gz MTKFLKZOGPYGTP-CQSZACIVSA-N 0 0 425.348 3.859 40 0 IHABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(OC)cc3Cl)C2=O)o1 ZINC000033741318 569246487 /nfs/dbraw/zinc/24/64/87/569246487.db2.gz OZDAIHJMYXSHLV-FRKPEAEDSA-N 0 0 437.857 3.973 40 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523262549 /nfs/dbraw/zinc/26/25/49/523262549.db2.gz MOUDAGANQOCWIL-UHFFFAOYSA-N 0 0 427.530 3.530 40 0 IHABRN CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236900 523331046 /nfs/dbraw/zinc/33/10/46/523331046.db2.gz UQIZWTLOZJZCOR-UHFFFAOYSA-N 0 0 443.469 3.998 40 0 IHABRN CN(c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000022230589 523642043 /nfs/dbraw/zinc/64/20/43/523642043.db2.gz MPNDACFOJOHOPJ-UHFFFAOYSA-N 0 0 436.839 3.772 40 0 IHABRN CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000012869645 523956642 /nfs/dbraw/zinc/95/66/42/523956642.db2.gz GJHFTRBYXPGUOB-OAQYLSRUSA-N 0 0 435.553 3.942 40 0 IHABRN COc1ccc(CN(C)C(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC ZINC000020451056 523992763 /nfs/dbraw/zinc/99/27/63/523992763.db2.gz GNHMHPVHASSIQV-UHFFFAOYSA-N 0 0 448.585 3.525 40 0 IHABRN COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cccc3ccccc32)cc1 ZINC000015935916 524048695 /nfs/dbraw/zinc/04/86/95/524048695.db2.gz HZXHLUXNKZXDFM-UHFFFAOYSA-N 0 0 432.505 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524523947 /nfs/dbraw/zinc/52/39/47/524523947.db2.gz UMFQBHJIYDOZQB-LJQANCHMSA-N 0 0 442.516 3.989 40 0 IHABRN COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000022429688 524528585 /nfs/dbraw/zinc/52/85/85/524528585.db2.gz JKWMNFBOCDFJBK-QGZVFWFLSA-N 0 0 442.512 3.907 40 0 IHABRN Cc1cc(C)n2c(nnc2S[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)n1 ZINC000020799384 524564527 /nfs/dbraw/zinc/56/45/27/524564527.db2.gz DRDJOXNXIHDSIQ-LJQANCHMSA-N 0 0 445.504 3.958 40 0 IHABRN COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)N(C)C2)cc1 ZINC000020464169 524576856 /nfs/dbraw/zinc/57/68/56/524576856.db2.gz GRFDBFTWOLFCAX-WMZOPIPTSA-N 0 0 427.892 3.966 40 0 biogenic,in-vitro IHABRN Cc1ccc(CSCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000022384786 524645987 /nfs/dbraw/zinc/64/59/87/524645987.db2.gz AUIZIVKLSJBEAC-UHFFFAOYSA-N 0 0 434.627 3.934 40 0 IHABRN Cc1ccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c(C)c1 ZINC000022328222 524891426 /nfs/dbraw/zinc/89/14/26/524891426.db2.gz FSSHYTNLJVOKHL-UHFFFAOYSA-N 0 0 432.586 3.606 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccccc2F)cc1 ZINC000022377774 525012156 /nfs/dbraw/zinc/01/21/56/525012156.db2.gz DULQDVCCJOXMKV-KRWDZBQOSA-N 0 0 442.512 3.907 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1 ZINC000022539946 525032261 /nfs/dbraw/zinc/03/22/61/525032261.db2.gz JEIXBKDWNWIUEG-PMACEKPBSA-N 0 0 444.597 3.899 40 0 IHABRN C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000022540826 525119057 /nfs/dbraw/zinc/11/90/57/525119057.db2.gz WGVSYBOUDKRTBP-QGZVFWFLSA-N 0 0 442.512 3.907 40 0 IHABRN CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000020461618 525152524 /nfs/dbraw/zinc/15/25/24/525152524.db2.gz CHULJKVHGCMQKL-QGZVFWFLSA-N 0 0 427.353 3.953 40 0 IHABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCCCCC2)cc1 ZINC000022233687 525157891 /nfs/dbraw/zinc/15/78/91/525157891.db2.gz RGXVKCPWAPXDCA-UHFFFAOYSA-N 0 0 434.533 3.573 40 0 IHABRN COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1OC ZINC000013567373 525236111 /nfs/dbraw/zinc/23/61/11/525236111.db2.gz DLCZRNXQYKOBNW-INIZCTEOSA-N 0 0 437.521 3.862 40 0 IHABRN COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c(OC)c1 ZINC000013567323 525236215 /nfs/dbraw/zinc/23/62/15/525236215.db2.gz MMDDNDCQILMPCB-KRWDZBQOSA-N 0 0 437.521 3.862 40 0 IHABRN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022539682 525264067 /nfs/dbraw/zinc/26/40/67/525264067.db2.gz GALLBVBOOYEKJI-OPAMFIHVSA-N 0 0 444.503 3.732 40 0 IHABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)cc2c1 ZINC000012469403 525476249 /nfs/dbraw/zinc/47/62/49/525476249.db2.gz HRASPKUOFAMJDC-OPAMFIHVSA-N 0 0 436.560 3.850 40 0 IHABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-n1cnnc1 ZINC000224392638 525552610 /nfs/dbraw/zinc/55/26/10/525552610.db2.gz BYQUPWOEYJIYPW-SFTDATJTSA-N 0 0 433.516 3.719 40 0 IHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2csnn2)o1 ZINC000012638589 525678691 /nfs/dbraw/zinc/67/86/91/525678691.db2.gz AEGMKUIMEBRGEK-NRFANRHFSA-N 0 0 438.553 3.925 40 0 IHABRN COc1cccc(-c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=S)n2-n2cccc2)c1 ZINC000016778087 525731724 /nfs/dbraw/zinc/73/17/24/525731724.db2.gz OEVQRGGQEGRZSG-UHFFFAOYSA-N 0 0 449.492 3.570 40 0 IHABRN Cc1c(Cl)cccc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000022337209 525756370 /nfs/dbraw/zinc/75/63/70/525756370.db2.gz VTHZJHZKCKWVRH-UHFFFAOYSA-N 0 0 429.369 3.817 40 0 IHABRN C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 ZINC000019078331 525964950 /nfs/dbraw/zinc/96/49/50/525964950.db2.gz LLKZMRKCEMMCNZ-LSDHHAIUSA-N 0 0 439.462 3.785 40 0 IHABRN C[C@H](C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1cncn1 ZINC000019078433 525969959 /nfs/dbraw/zinc/96/99/59/525969959.db2.gz KWBSYVDEWSIWSU-CHWSQXEVSA-N 0 0 436.463 3.783 40 0 IHABRN C[C@H](C(=O)NCc1cccs1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466697 526089871 /nfs/dbraw/zinc/08/98/71/526089871.db2.gz PXLTVWHAURQFLZ-HHYYZMLDSA-N 0 0 432.630 3.719 40 0 biogenic,in-vitro IHABRN Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000021904501 526167989 /nfs/dbraw/zinc/16/79/89/526167989.db2.gz GOPOTICTKHQLIZ-UHFFFAOYSA-N 0 0 436.961 3.632 40 0 IHABRN Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 ZINC000022328952 526180195 /nfs/dbraw/zinc/18/01/95/526180195.db2.gz CYCCNKIIEHXZDO-IBGZPJMESA-N 0 0 430.570 3.796 40 0 IHABRN Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000020485237 526184850 /nfs/dbraw/zinc/18/48/50/526184850.db2.gz HPDCMYVONKUYIX-UHFFFAOYSA-N 0 0 446.532 3.912 40 0 IHABRN Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)CC(C)(C)O2 ZINC000022331386 526201349 /nfs/dbraw/zinc/20/13/49/526201349.db2.gz QWVRPBNNJQBKHY-GOSISDBHSA-N 0 0 436.961 3.833 40 0 IHABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21 ZINC000020450666 526305341 /nfs/dbraw/zinc/30/53/41/526305341.db2.gz UOVVREKBWCUOJJ-UHFFFAOYSA-N 0 0 432.973 3.861 40 0 IHABRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000020450633 526434652 /nfs/dbraw/zinc/43/46/52/526434652.db2.gz OCDRIEVUMYWYAA-UHFFFAOYSA-N 0 0 449.532 3.894 40 0 IHABRN O=C(NCc1ccccc1)[C@@H](c1cccs1)N(Cc1cccnc1)C(=O)c1csnn1 ZINC000035310896 526735661 /nfs/dbraw/zinc/73/56/61/526735661.db2.gz JZTJHPYKVHXOHH-HXUWFJFHSA-N 0 0 449.561 3.695 40 0 IHABRN O=C(NCc1ccccc1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000012472228 526735765 /nfs/dbraw/zinc/73/57/65/526735765.db2.gz LZDPUCLEHRLTBM-NRFANRHFSA-N 0 0 447.495 3.777 40 0 IHABRN O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000020426395 526744293 /nfs/dbraw/zinc/74/42/93/526744293.db2.gz XMYMUEJXVCUOMX-LAUBAEHRSA-N 0 0 438.483 3.881 40 0 IHABRN O=C(c1ccccc1F)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012645488 526804356 /nfs/dbraw/zinc/80/43/56/526804356.db2.gz ANRJMRHKWFORTM-UHFFFAOYSA-N 0 0 431.423 3.634 40 0 IHABRN O=C(CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O)NCc1ccccc1 ZINC000012113588 526822591 /nfs/dbraw/zinc/82/25/91/526822591.db2.gz JLKYADFJFGGCDH-UHFFFAOYSA-N 0 0 428.517 3.879 40 0 IHABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)NC4CCCC4)C3)c(=O)c2c1C ZINC000012184146 526888492 /nfs/dbraw/zinc/88/84/92/526888492.db2.gz GFNHPCXODPWMHA-SFHVURJKSA-N 0 0 430.618 3.894 40 0 IHABRN O=C(CSc1nnc(NC(=O)c2ccc(F)cc2F)s1)NCc1cccs1 ZINC000012643483 527085942 /nfs/dbraw/zinc/08/59/42/527085942.db2.gz LCQSHYOABJFEET-UHFFFAOYSA-N 0 0 426.495 3.539 40 0 IHABRN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C(=S)c2ccc(F)cc2)CC1 ZINC000034931024 527127561 /nfs/dbraw/zinc/12/75/61/527127561.db2.gz PPZDGFZUIBTOIF-UHFFFAOYSA-N 0 0 447.535 3.568 40 0 IHABRN O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000020457658 527223549 /nfs/dbraw/zinc/22/35/49/527223549.db2.gz MXPVTGUJVDTJAU-UHFFFAOYSA-N 0 0 425.838 3.732 40 0 IHABRN O=C(Nc1cccc2cccnc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012639001 527385003 /nfs/dbraw/zinc/38/50/03/527385003.db2.gz SZROPTZGNCVYLR-UHFFFAOYSA-N 0 0 429.929 3.928 40 0 IHABRN O=c1c2c(n(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(=O)n1C1CCCCC1)CCC2 ZINC000041104979 527456112 /nfs/dbraw/zinc/45/61/12/527456112.db2.gz OPZWERXZRGTTDS-UHFFFAOYSA-N 0 0 443.352 3.548 40 0 IHABRN Cc1nn(C)c(C)c1NC(=O)CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O ZINC000012132793 527646943 /nfs/dbraw/zinc/64/69/43/527646943.db2.gz VFAKURQHACKTJS-UHFFFAOYSA-N 0 0 446.536 3.552 40 0 IHABRN COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 ZINC000000800383 555558994 /nfs/dbraw/zinc/55/89/94/555558994.db2.gz CDQZLKPTJNFECG-LBPRGKRZSA-N 0 0 437.279 3.537 40 0 IHABRN O=C(NCc1ccccc1)[C@H](c1cccnc1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000001376616 555692766 /nfs/dbraw/zinc/69/27/66/555692766.db2.gz MRLVOHQALNZPRT-QHCPKHFHSA-N 0 0 426.476 3.770 40 0 IHABRN CCOC(=O)C1=C(C)Oc2cc3c(cc2[C@@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000001589566 555704906 /nfs/dbraw/zinc/70/49/06/555704906.db2.gz VFOCCKLHSPIAGY-NRFANRHFSA-N 0 0 428.437 3.803 40 0 IHABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408535179 555752398 /nfs/dbraw/zinc/75/23/98/555752398.db2.gz VDEZBEFVRPSEPG-UHFFFAOYSA-N 0 0 442.459 3.816 40 0 IHABRN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(N(CC)CC)cc3)n2N)c1 ZINC000002378965 555773997 /nfs/dbraw/zinc/77/39/97/555773997.db2.gz ZGOIDFQYHTZZMG-UHFFFAOYSA-N 0 0 440.573 3.635 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000408545033 555793804 /nfs/dbraw/zinc/79/38/04/555793804.db2.gz NWKZHCNJJZWEBB-UHFFFAOYSA-N 0 0 447.409 3.809 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1OC ZINC000408551420 555858894 /nfs/dbraw/zinc/85/88/94/555858894.db2.gz HUADZLLYGZRLJC-SFHVURJKSA-N 0 0 446.569 3.867 40 0 IHABRN O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000408551289 555858931 /nfs/dbraw/zinc/85/89/31/555858931.db2.gz HFOGDWSANJYLAV-UHFFFAOYSA-N 0 0 434.201 3.706 40 0 IHABRN CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408551738 555859914 /nfs/dbraw/zinc/85/99/14/555859914.db2.gz IMPRNJCGHIHGIC-UHFFFAOYSA-N 0 0 430.448 3.800 40 0 IHABRN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000408553781 555882144 /nfs/dbraw/zinc/88/21/44/555882144.db2.gz QLPGKEMLISCDKN-SFHVURJKSA-N 0 0 446.569 3.614 40 0 IHABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000408555169 555886429 /nfs/dbraw/zinc/88/64/29/555886429.db2.gz FBXDVAIMPLVWKI-UHFFFAOYSA-N 0 0 428.982 3.588 40 0 IHABRN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OCC)c(C)c3)C2)cc1 ZINC000408561815 555904388 /nfs/dbraw/zinc/90/43/88/555904388.db2.gz VNEAMYGYFPDHOW-SFHVURJKSA-N 0 0 446.569 3.832 40 0 IHABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000408582184 555933500 /nfs/dbraw/zinc/93/35/00/555933500.db2.gz BUUNXLNRXFHWCT-MRXNPFEDSA-N 0 0 428.941 3.913 40 0 IHABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)C1 ZINC000408583252 555934541 /nfs/dbraw/zinc/93/45/41/555934541.db2.gz GPWDZAQCCIYMMU-PZJWPPBQSA-N 0 0 444.597 3.542 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1Cl ZINC000408586740 555939489 /nfs/dbraw/zinc/93/94/89/555939489.db2.gz BBWKOYOEUJKRBH-CVEARBPZSA-N 0 0 438.977 3.543 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1Cl ZINC000408586747 555939558 /nfs/dbraw/zinc/93/95/58/555939558.db2.gz BBWKOYOEUJKRBH-HZPDHXFCSA-N 0 0 438.977 3.543 40 0 IHABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408589866 555946971 /nfs/dbraw/zinc/94/69/71/555946971.db2.gz FXMMISVDCRCXCL-IBGZPJMESA-N 0 0 438.549 3.591 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000408589799 555946980 /nfs/dbraw/zinc/94/69/80/555946980.db2.gz FPGHIBUGWZPVBQ-UHFFFAOYSA-N 0 0 428.476 3.923 40 0 IHABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)c1 ZINC000408590561 555949288 /nfs/dbraw/zinc/94/92/88/555949288.db2.gz JTSUZBIFCRKFAS-UHFFFAOYSA-N 0 0 432.542 3.714 40 0 IHABRN CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 ZINC000408593330 555953601 /nfs/dbraw/zinc/95/36/01/555953601.db2.gz PYQWTMVQEDIQJN-UHFFFAOYSA-N 0 0 432.542 3.586 40 0 IHABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408592187 555953633 /nfs/dbraw/zinc/95/36/33/555953633.db2.gz KLDOTKGMYOAEMP-SNVBAGLBSA-N 0 0 436.839 3.673 40 0 IHABRN CCCNC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408607743 555968249 /nfs/dbraw/zinc/96/82/49/555968249.db2.gz OBOBHHVWMXXGKI-UHFFFAOYSA-N 0 0 433.295 3.797 40 0 IHABRN CC(=O)Nc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 ZINC000408601642 555970208 /nfs/dbraw/zinc/97/02/08/555970208.db2.gz BAAXSHRXCWTEKU-UHFFFAOYSA-N 0 0 441.484 3.618 40 0 IHABRN COC[C@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408602963 555971829 /nfs/dbraw/zinc/97/18/29/555971829.db2.gz DKSHYMRDPAVZRH-AWEZNQCLSA-N 0 0 445.368 3.648 40 0 IHABRN CNC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408602531 555971840 /nfs/dbraw/zinc/97/18/40/555971840.db2.gz DPTJIVJUZGNDIG-UHFFFAOYSA-N 0 0 439.686 3.670 40 0 IHABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408604278 555974258 /nfs/dbraw/zinc/97/42/58/555974258.db2.gz LQXRXAIZAXBTEQ-SNVBAGLBSA-N 0 0 436.839 3.673 40 0 IHABRN COc1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408604805 555975443 /nfs/dbraw/zinc/97/54/43/555975443.db2.gz FWYHUCJRLAPJCH-MRXNPFEDSA-N 0 0 432.542 3.712 40 0 IHABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)C(=O)NC1CCCCC1 ZINC000408611860 555977106 /nfs/dbraw/zinc/97/71/06/555977106.db2.gz RWJWKAVKRMMAHC-CQSZACIVSA-N 0 0 438.496 3.982 40 0 IHABRN COc1cc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@H]3[C@]2(C)CO)cc(OC)c1 ZINC000004259982 555979773 /nfs/dbraw/zinc/97/97/73/555979773.db2.gz VOYRMMVMYIMTBW-LQCNHDFWSA-N 0 0 447.528 3.761 40 0 biogenic,in-vitro IHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCc1ccccc1)C1CCCCC1 ZINC000408619533 555984016 /nfs/dbraw/zinc/98/40/16/555984016.db2.gz ILAHUFASSSKPJO-UHFFFAOYSA-N 0 0 444.597 3.686 40 0 IHABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000408615417 555986441 /nfs/dbraw/zinc/98/64/41/555986441.db2.gz QDACZEIDZOZUGT-HXUWFJFHSA-N 0 0 427.504 3.917 40 0 IHABRN COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000408624133 555993295 /nfs/dbraw/zinc/99/32/95/555993295.db2.gz FNRGSPWILZZMRE-UHFFFAOYSA-N 0 0 438.549 3.934 40 0 IHABRN CC(C)OC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000408626125 555996970 /nfs/dbraw/zinc/99/69/70/555996970.db2.gz ZXVVXZNVPOBVGD-UHFFFAOYSA-N 0 0 427.482 3.945 40 0 IHABRN CCC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408626444 555997232 /nfs/dbraw/zinc/99/72/32/555997232.db2.gz YYOQJZJWDDXQFX-IBGZPJMESA-N 0 0 432.586 3.542 40 0 IHABRN Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C ZINC000408629621 556003980 /nfs/dbraw/zinc/00/39/80/556003980.db2.gz FGOBXUZKGGITOG-QGZVFWFLSA-N 0 0 445.585 3.625 40 0 IHABRN Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)c(C)c1 ZINC000004875806 556017306 /nfs/dbraw/zinc/01/73/06/556017306.db2.gz RUJBZXWOOGFTEZ-UHFFFAOYSA-N 0 0 427.570 3.577 40 0 IHABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cc(Cl)ccc2OC)o1 ZINC000408637185 556020161 /nfs/dbraw/zinc/02/01/61/556020161.db2.gz GTASBIZGNJZJMA-UHFFFAOYSA-N 0 0 433.873 3.916 40 0 IHABRN COc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)c(OC)c1 ZINC000408645827 556021799 /nfs/dbraw/zinc/02/17/99/556021799.db2.gz MLSXSXGPHREDGS-UHFFFAOYSA-N 0 0 428.666 3.915 40 0 IHABRN COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)N[C@@H](C)c1ccccc1 ZINC000408643838 556024144 /nfs/dbraw/zinc/02/41/44/556024144.db2.gz CIBQHHXVYJOZDE-HNNXBMFYSA-N 0 0 432.904 3.878 40 0 IHABRN Cc1cc(C)cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000408644565 556024471 /nfs/dbraw/zinc/02/44/71/556024471.db2.gz GPVPQTZYOAWZHS-UHFFFAOYSA-N 0 0 425.506 3.802 40 0 IHABRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O ZINC000408644599 556024717 /nfs/dbraw/zinc/02/47/17/556024717.db2.gz GZTCZOVRDUIRKK-LBPRGKRZSA-N 0 0 437.279 3.537 40 0 IHABRN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000408648034 556028685 /nfs/dbraw/zinc/02/86/85/556028685.db2.gz WSEBIPVQQIZRPT-UHFFFAOYSA-N 0 0 444.336 3.956 40 0 IHABRN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc3ccccc32)cc1C ZINC000408648446 556028920 /nfs/dbraw/zinc/02/89/20/556028920.db2.gz YCRVYMPLECLPNK-UHFFFAOYSA-N 0 0 425.506 3.802 40 0 IHABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)Nc1cccc(Cl)c1 ZINC000408653272 556031663 /nfs/dbraw/zinc/03/16/63/556031663.db2.gz DXBJRDOTVSVSHD-KDURUIRLSA-N 0 0 438.867 3.591 40 0 IHABRN COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000408655577 556034060 /nfs/dbraw/zinc/03/40/60/556034060.db2.gz DLOGBTFOWJYOPY-UHFFFAOYSA-N 0 0 425.268 3.903 40 0 IHABRN Cc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1=O ZINC000408657060 556037473 /nfs/dbraw/zinc/03/74/73/556037473.db2.gz IIRQRIOXAIRUNR-QGZVFWFLSA-N 0 0 440.455 3.754 40 0 IHABRN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000408661195 556041638 /nfs/dbraw/zinc/04/16/38/556041638.db2.gz DVNDNAXKBWKXPU-UHFFFAOYSA-N 0 0 436.464 3.758 40 0 IHABRN CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 ZINC000408662118 556042941 /nfs/dbraw/zinc/04/29/41/556042941.db2.gz MWSHROCVOYHJKN-AYPBNUJASA-N 0 0 446.503 3.746 40 0 IHABRN COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)CCCC2=O)cc1 ZINC000408659136 556044125 /nfs/dbraw/zinc/04/41/25/556044125.db2.gz VRPHTLRBXQBRRR-CQSZACIVSA-N 0 0 428.872 3.516 40 0 IHABRN CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1 ZINC000408664681 556044479 /nfs/dbraw/zinc/04/44/79/556044479.db2.gz JLEHJTOVDQVTRG-UHFFFAOYSA-N 0 0 431.876 3.589 40 0 IHABRN CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408663829 556047252 /nfs/dbraw/zinc/04/72/52/556047252.db2.gz OOEYUMLNIWSRKH-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/61/72/79/556617279.db2.gz HBMGGLOMWATYEB-INIZCTEOSA-N 0 0 442.537 3.500 40 0 IHABRN COc1ccc(-c2cnn3c2ncc(C(=O)N2CCN(Cc4ccccc4)CC2)c3C)cc1 ZINC000038829644 556621039 /nfs/dbraw/zinc/62/10/39/556621039.db2.gz YIEHWYQVZAZMFN-UHFFFAOYSA-N 0 0 441.535 3.671 40 0 IHABRN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000514290243 556626169 /nfs/dbraw/zinc/62/61/69/556626169.db2.gz WRHHMVKFVPNYDF-QUCCMNQESA-N 0 0 427.476 3.806 40 0 biogenic,in-vitro IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2C)cc1Cl ZINC000016692724 556627938 /nfs/dbraw/zinc/62/79/38/556627938.db2.gz ANSFANKNZDBMRO-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039985976 556632380 /nfs/dbraw/zinc/63/23/80/556632380.db2.gz NANHFWLTQTZNCC-UHFFFAOYSA-N 0 0 447.340 3.660 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)CCc2ccccc2)cc1C ZINC000039986223 556632699 /nfs/dbraw/zinc/63/26/99/556632699.db2.gz RKUYWOJBMQTAOM-IBGZPJMESA-N 0 0 432.586 3.542 40 0 IHABRN CCN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039986779 556633291 /nfs/dbraw/zinc/63/32/91/556633291.db2.gz PGVUNXICRQTROY-UHFFFAOYSA-N 0 0 435.760 3.974 40 0 IHABRN CCc1nn2c(nnc3c2ccn(NC(=O)c2ccccc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395933 556638484 /nfs/dbraw/zinc/63/84/84/556638484.db2.gz OFRKMLWUSIEWKQ-UHFFFAOYSA-N 0 0 444.882 3.706 40 0 IHABRN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399381 556642070 /nfs/dbraw/zinc/64/20/70/556642070.db2.gz YGDUPIMKVCOJPP-AWEZNQCLSA-N 0 0 444.278 3.885 40 0 IHABRN O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399436 556642077 /nfs/dbraw/zinc/64/20/77/556642077.db2.gz SKPQBTHMHDKWIY-AWEZNQCLSA-N 0 0 444.278 3.885 40 0 IHABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 ZINC000040399744 556642336 /nfs/dbraw/zinc/64/23/36/556642336.db2.gz CRAMPEIDAYUYOJ-CQSZACIVSA-N 0 0 441.850 3.679 40 0 IHABRN Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)cc1 ZINC000040400513 556643403 /nfs/dbraw/zinc/64/34/03/556643403.db2.gz QDKYKDXLWUNPPV-CQSZACIVSA-N 0 0 437.887 3.848 40 0 IHABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101075348 556653847 /nfs/dbraw/zinc/65/38/47/556653847.db2.gz VARQVJBNNLKMKN-VABKMULXSA-N 0 0 448.450 3.894 40 0 IHABRN Cc1c(-c2cnn(C)c2C)nn(-c2nc(C)cc(C(F)(F)F)n2)c1-c1cnn(C)c1C ZINC000013644602 556659824 /nfs/dbraw/zinc/65/98/24/556659824.db2.gz PYNPQSCDOMCDTC-UHFFFAOYSA-N 0 0 430.438 3.716 40 0 IHABRN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044843571 556668857 /nfs/dbraw/zinc/66/88/57/556668857.db2.gz KEMNZULEBMCDNK-XOTIMPRHSA-N 0 0 444.641 3.746 40 0 IHABRN COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000017155092 556670518 /nfs/dbraw/zinc/67/05/18/556670518.db2.gz AYDTZTAGZQXOQF-UHFFFAOYSA-N 0 0 428.485 3.608 40 0 IHABRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC000044880020 556673900 /nfs/dbraw/zinc/67/39/00/556673900.db2.gz AWLVMPWRFBSRCU-UHFFFAOYSA-N 0 0 446.569 3.587 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000017605287 556678202 /nfs/dbraw/zinc/67/82/02/556678202.db2.gz RIAHVDXCFCSFEO-UHFFFAOYSA-N 0 0 441.553 3.549 40 0 IHABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)c1 ZINC000044902736 556678539 /nfs/dbraw/zinc/67/85/39/556678539.db2.gz DLIHFKSSUIFSHH-UHFFFAOYSA-N 0 0 444.597 3.640 40 0 IHABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 ZINC000044903485 556679054 /nfs/dbraw/zinc/67/90/54/556679054.db2.gz MTRSTBYOTXSRKH-PKTZIBPZSA-N 0 0 428.598 3.929 40 0 IHABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000044904620 556679589 /nfs/dbraw/zinc/67/95/89/556679589.db2.gz KKCWUGDIRRURPP-KRWDZBQOSA-N 0 0 432.542 3.666 40 0 IHABRN C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000044946558 556683544 /nfs/dbraw/zinc/68/35/44/556683544.db2.gz 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Cn1nc(C(C)(C)C)cc1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2)C1 ZINC000019083772 556698218 /nfs/dbraw/zinc/69/82/18/556698218.db2.gz YGKSVVRNJLSLAD-NRFANRHFSA-N 0 0 444.579 3.816 40 0 IHABRN COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1F ZINC000019122349 556701610 /nfs/dbraw/zinc/70/16/10/556701610.db2.gz AKGHXTFMYKHNEM-SFHVURJKSA-N 0 0 439.491 3.560 40 0 IHABRN Cc1cc2c(cc1C(=O)c1cccs1)N(CC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)CO2 ZINC000019124977 556702915 /nfs/dbraw/zinc/70/29/15/556702915.db2.gz DGCWCJSLCSLHDZ-RHSMWYFYSA-N 0 0 426.538 3.708 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2ccc(C)cc2OC)CCO1 ZINC000019134085 556705325 /nfs/dbraw/zinc/70/53/25/556705325.db2.gz AYQYUXPWOLHRRH-HHHXNRCGSA-N 0 0 445.563 3.625 40 0 IHABRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCCC2)CC3)cc1 ZINC000019135437 556706219 /nfs/dbraw/zinc/70/62/19/556706219.db2.gz VXYSTGJYWYTADC-JOCHJYFZSA-N 0 0 448.567 3.933 40 0 IHABRN O=C(c1ccccc1Cn1cccn1)N1CCC[C@]2(C[C@@H](Oc3ccccc3F)CO2)C1 ZINC000257239494 556710399 /nfs/dbraw/zinc/71/03/99/556710399.db2.gz HPMXNKAMLQMJEL-NLFFAJNJSA-N 0 0 435.499 3.913 40 0 IHABRN Cc1ccc2occ(CN(CCNC(=O)c3cccs3)Cc3ccccn3)c(=O)c2c1 ZINC000019219781 556714143 /nfs/dbraw/zinc/71/41/43/556714143.db2.gz CUMPOPVKRCMQMR-UHFFFAOYSA-N 0 0 433.533 3.990 40 0 IHABRN O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257276437 556714445 /nfs/dbraw/zinc/71/44/45/556714445.db2.gz NTTQJIOIXIBHHU-HXUWFJFHSA-N 0 0 426.520 3.579 40 0 IHABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1Cc1cnc(N(C)C)nc1 ZINC000019219888 556714478 /nfs/dbraw/zinc/71/44/78/556714478.db2.gz KYXBQPAAGAQBKZ-QGZVFWFLSA-N 0 0 445.489 3.849 40 0 IHABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2nccc3ccccc32)CC1 ZINC000257301546 556717521 /nfs/dbraw/zinc/71/75/21/556717521.db2.gz RYXLDBYSFMUCTH-FKCDAAJZSA-N 0 0 445.563 3.684 40 0 IHABRN Cc1cccc([C@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2cnc(C)nc2C)c1 ZINC000019234465 556718488 /nfs/dbraw/zinc/71/84/88/556718488.db2.gz 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556510084 /nfs/dbraw/zinc/51/00/84/556510084.db2.gz BUBZJMVRIZLHDC-INIZCTEOSA-N 0 0 432.973 3.860 40 0 IHABRN COc1ccccc1N(CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O ZINC000030862268 556511380 /nfs/dbraw/zinc/51/13/80/556511380.db2.gz FAFGBDVHJSNUSM-XMMPIXPASA-N 0 0 438.549 3.675 40 0 IHABRN CC(C)Oc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000030940451 556516213 /nfs/dbraw/zinc/51/62/13/556516213.db2.gz KYEMQDTVHPEWSI-NRFANRHFSA-N 0 0 446.569 3.937 40 0 IHABRN CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000013566854 556520304 /nfs/dbraw/zinc/52/03/04/556520304.db2.gz KEFBRXMCZUKZAC-GOSISDBHSA-N 0 0 432.476 3.773 40 0 IHABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000015345347 556522118 /nfs/dbraw/zinc/52/21/18/556522118.db2.gz AUDUQEAAAXMCKI-UHFFFAOYSA-N 0 0 449.576 3.754 40 0 IHABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581754 556528020 /nfs/dbraw/zinc/52/80/20/556528020.db2.gz NEZUSPYCOYRKLW-GOSISDBHSA-N 0 0 438.549 3.707 40 0 IHABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581740 556528039 /nfs/dbraw/zinc/52/80/39/556528039.db2.gz INHHGOOTPCTUAW-UHFFFAOYSA-N 0 0 442.581 3.837 40 0 IHABRN Cc1ccccc1OCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000032125205 556534593 /nfs/dbraw/zinc/53/45/93/556534593.db2.gz SCGQFZZKBPWVTH-UHFFFAOYSA-N 0 0 429.520 3.975 40 0 IHABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000032126398 556535454 /nfs/dbraw/zinc/53/54/54/556535454.db2.gz WYSLKWUJODZUTA-UHFFFAOYSA-N 0 0 429.498 3.679 40 0 IHABRN COc1cccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1 ZINC000032126886 556535766 /nfs/dbraw/zinc/53/57/66/556535766.db2.gz PXXCNSNCJDLCLR-UHFFFAOYSA-N 0 0 425.466 3.676 40 0 IHABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 ZINC000032126632 556535836 /nfs/dbraw/zinc/53/58/36/556535836.db2.gz YXVVCKCASUXSNA-UHFFFAOYSA-N 0 0 438.538 3.605 40 0 IHABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O ZINC000013632208 556539549 /nfs/dbraw/zinc/53/95/49/556539549.db2.gz ZWXPKVMBFDCCTA-QGZVFWFLSA-N 0 0 438.549 3.885 40 0 IHABRN COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508586 556540068 /nfs/dbraw/zinc/54/00/68/556540068.db2.gz SQNYYHOQUWRLJC-OALUTQOASA-N 0 0 436.986 3.619 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 ZINC000013647443 556544507 /nfs/dbraw/zinc/54/45/07/556544507.db2.gz CPHFYCWDJHZZBZ-UHFFFAOYSA-N 0 0 445.324 3.575 40 0 IHABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 ZINC000013647836 556544531 /nfs/dbraw/zinc/54/45/31/556544531.db2.gz DDSKQQQMMLCSDX-KRWDZBQOSA-N 0 0 438.590 3.647 40 0 IHABRN CC(=O)c1cccc(N2C(SCc3ccc(C)c(C)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032641101 556545935 /nfs/dbraw/zinc/54/59/35/556545935.db2.gz XYFCYCZBFKYJAL-LEWJYISDSA-N 0 0 428.579 3.781 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OC)cc1 ZINC000013673608 556553469 /nfs/dbraw/zinc/55/34/69/556553469.db2.gz KNGQXKRRIAWXMF-UHFFFAOYSA-N 0 0 440.521 3.562 40 0 IHABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 ZINC000013676972 556554840 /nfs/dbraw/zinc/55/48/40/556554840.db2.gz XHWPGAMBRUVNKN-UHFFFAOYSA-N 0 0 438.524 3.990 40 0 IHABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)ccc1OC ZINC000013678373 556555376 /nfs/dbraw/zinc/55/53/76/556555376.db2.gz CHQNUMSSCJKPAN-UHFFFAOYSA-N 0 0 447.738 3.662 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016188160 556587863 /nfs/dbraw/zinc/58/78/63/556587863.db2.gz NIWZNAOSYPKIHU-UHFFFAOYSA-N 0 0 437.732 3.915 40 0 IHABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100771328 556588258 /nfs/dbraw/zinc/58/82/58/556588258.db2.gz QHWCEOJNUJKGCS-AOIWGVFYSA-N 0 0 432.307 3.538 40 0 IHABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000016267501 556595927 /nfs/dbraw/zinc/59/59/27/556595927.db2.gz ZYFUDZYMMWUZGO-UHFFFAOYSA-N 0 0 425.348 3.634 40 0 IHABRN CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000016323237 556600606 /nfs/dbraw/zinc/60/06/06/556600606.db2.gz RDCQZFNJFVSQQM-UHFFFAOYSA-N 0 0 441.597 3.708 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000038772953 556619419 /nfs/dbraw/zinc/61/94/19/556619419.db2.gz ATTMQFCHWUMNPK-GOSISDBHSA-N 0 0 438.933 3.700 40 0 IHABRN CCCCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016639010 556619472 /nfs/dbraw/zinc/61/94/72/556619472.db2.gz CLLWWYWJVDRBMI-UHFFFAOYSA-N 0 0 432.542 3.601 40 0 IHABRN O=C1C[C@H](c2ccccc2O)Cc2c1cnc1nc(NCCc3ccccc3)[nH]c(=O)c12 ZINC000038829474 556620803 /nfs/dbraw/zinc/62/08/03/556620803.db2.gz RXKWOVKOMPCEIV-MRXNPFEDSA-N 0 0 426.476 3.591 40 0 IHABRN C[C@@]1(O)CCN(Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289859 556624380 /nfs/dbraw/zinc/62/43/80/556624380.db2.gz PJTJMVPMZNKFIW-QNWVGRARSA-N 0 0 443.519 3.918 40 0 biogenic,in-vitro IHABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)O2 ZINC000038853510 556625335 /nfs/dbraw/zinc/62/53/35/556625335.db2.gz QDQQZMSLYZMUFF-GOSISDBHSA-N 0 0 440.924 3.942 40 0 IHABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(Cl)cc21 ZINC000038860512 556626402 /nfs/dbraw/zinc/62/64/02/556626402.db2.gz HGBYMDRRXRPDQU-HNNXBMFYSA-N 0 0 434.823 3.525 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000016692269 556627684 /nfs/dbraw/zinc/62/76/84/556627684.db2.gz MJNJSHNAUCTAQF-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985509 556632208 /nfs/dbraw/zinc/63/22/08/556632208.db2.gz SVBDLMASKXUEAN-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040396816 556639207 /nfs/dbraw/zinc/63/92/07/556639207.db2.gz XDKBKDNWLHHTSY-UHFFFAOYSA-N 0 0 427.439 3.797 40 0 IHABRN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399206 556641552 /nfs/dbraw/zinc/64/15/52/556641552.db2.gz MWJZZNYEIWZRFK-AWEZNQCLSA-N 0 0 444.278 3.885 40 0 IHABRN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c1 ZINC000040399348 556641775 /nfs/dbraw/zinc/64/17/75/556641775.db2.gz UBFZKUCGZLEFSU-INIZCTEOSA-N 0 0 437.887 3.848 40 0 IHABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399212 556641824 /nfs/dbraw/zinc/64/18/24/556641824.db2.gz NAIMOPKXTLGPHY-GFCCVEGCSA-N 0 0 444.278 3.885 40 0 IHABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c(F)c1 ZINC000040399425 556642044 /nfs/dbraw/zinc/64/20/44/556642044.db2.gz QHAOZRATCJAMHZ-CYBMUJFWSA-N 0 0 441.850 3.679 40 0 IHABRN O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400184 556643319 /nfs/dbraw/zinc/64/33/19/556643319.db2.gz QLOLAGCAYBXQJU-AWEZNQCLSA-N 0 0 443.385 3.597 40 0 IHABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000101047178 556652678 /nfs/dbraw/zinc/65/26/78/556652678.db2.gz MURCILWVRZTRIQ-VJBWXMMDSA-N 0 0 448.450 3.894 40 0 IHABRN COc1cccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000044845286 556669459 /nfs/dbraw/zinc/66/94/59/556669459.db2.gz YAPLRSCXJYGZHE-DEOSSOPVSA-N 0 0 438.549 3.675 40 0 IHABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000044884791 556675038 /nfs/dbraw/zinc/67/50/38/556675038.db2.gz ZDUZAAPPOSJUPX-UHFFFAOYSA-N 0 0 436.961 3.795 40 0 IHABRN CC(C)C[C@@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 ZINC000044885460 556675221 /nfs/dbraw/zinc/67/52/21/556675221.db2.gz NKEQHCKTFJTVIQ-YLJYHZDGSA-N 0 0 446.569 3.516 40 0 IHABRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000044900090 556676991 /nfs/dbraw/zinc/67/69/91/556676991.db2.gz HTGMSZXSXLJZRX-KRWDZBQOSA-N 0 0 446.569 3.760 40 0 IHABRN COc1ccc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000044900243 556677139 /nfs/dbraw/zinc/67/71/39/556677139.db2.gz TULRHQZCIMKBEB-OAHLLOKOSA-N 0 0 427.526 3.621 40 0 IHABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000044905953 556679761 /nfs/dbraw/zinc/67/97/61/556679761.db2.gz LVVSFIPKAZELRX-QRWLVFNGSA-N 0 0 436.961 3.751 40 0 IHABRN Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000018074984 556682997 /nfs/dbraw/zinc/68/29/97/556682997.db2.gz LWLCUDONQYSELY-UHFFFAOYSA-N 0 0 436.961 3.632 40 0 IHABRN COc1cc(CNC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC ZINC000018224271 556687559 /nfs/dbraw/zinc/68/75/59/556687559.db2.gz IKPHSXHCSGFLAO-UHFFFAOYSA-N 0 0 444.709 3.824 40 0 IHABRN COc1ccc(CC(=O)N2Cc3ccccc3OC3(CCC(N(C)C(C)=O)CC3)C2)cc1 ZINC000019016269 556692258 /nfs/dbraw/zinc/69/22/58/556692258.db2.gz XFOOSOVNUVFBQX-UHFFFAOYSA-N 0 0 436.552 3.819 40 0 IHABRN COc1cccc(CC(=O)N(C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)c1 ZINC000019019898 556693333 /nfs/dbraw/zinc/69/33/33/556693333.db2.gz FBGGDDPINXUVLF-UHFFFAOYSA-N 0 0 436.552 3.819 40 0 IHABRN CC(C)(C)Nc1c(C2CCN(C(=O)COc3ccccc3F)CC2)nc2cnccn21 ZINC000019083148 556697580 /nfs/dbraw/zinc/69/75/80/556697580.db2.gz LZPORNDQAOFVQC-UHFFFAOYSA-N 0 0 425.508 3.864 40 0 IHABRN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4F)CC3)ccc21 ZINC000019085751 556699757 /nfs/dbraw/zinc/69/97/57/556699757.db2.gz VOLYKPDYNLRWGA-XMMPIXPASA-N 0 0 443.538 3.756 40 0 IHABRN COc1ccc(CC(=O)N2CCC(c3nc(NC4CC4)ncc3-c3cc(C)no3)CC2)cc1 ZINC000019122856 556701636 /nfs/dbraw/zinc/70/16/36/556701636.db2.gz WJVOQRVCBPEXMX-UHFFFAOYSA-N 0 0 447.539 3.972 40 0 IHABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CSc2nc(C)c(C)o2)on1 ZINC000019122333 556701719 /nfs/dbraw/zinc/70/17/19/556701719.db2.gz ZXESWNWMHUOFFA-MRXNPFEDSA-N 0 0 442.545 3.567 40 0 IHABRN Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3cccnc3)CC2)on1 ZINC000019123059 556701912 /nfs/dbraw/zinc/70/19/12/556701912.db2.gz BTXQLIKPKKZXNB-UHFFFAOYSA-N 0 0 432.528 3.845 40 0 IHABRN COc1cc2c(cc1CN1CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C1)CCC2 ZINC000257212167 556702624 /nfs/dbraw/zinc/70/26/24/556702624.db2.gz CCEYPHAKOHRPSC-SANMLTNESA-N 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CCCN1CCN(Cc2cccnc2N(C)C)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351756 556921987 /nfs/dbraw/zinc/92/19/87/556921987.db2.gz GCLLBMNKZDJVIX-VWLOTQADSA-N 0 0 443.595 3.875 40 0 IHABRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@H]1C(=O)Nc1ccccc1OC ZINC000019819108 556922031 /nfs/dbraw/zinc/92/20/31/556922031.db2.gz IEFPYPPDQJLTPC-MRXNPFEDSA-N 0 0 428.872 3.787 40 0 IHABRN CCCN1CCN(Cc2cccnc2N(C)C)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351755 556922034 /nfs/dbraw/zinc/92/20/34/556922034.db2.gz GCLLBMNKZDJVIX-RUZDIDTESA-N 0 0 443.595 3.875 40 0 IHABRN COc1ccc(CN2CCN(C)C(=O)[C@H]2Cc2ccc(-c3ccncc3)cc2)cc1OC ZINC000072351833 556922551 /nfs/dbraw/zinc/92/25/51/556922551.db2.gz NSSIVJLCPAULJI-HSZRJFAPSA-N 0 0 431.536 3.651 40 0 IHABRN Cc1cc(C)n(CCCC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3C)c2)n1 ZINC000072351921 556922788 /nfs/dbraw/zinc/92/27/88/556922788.db2.gz PSGLQJZUXGALSP-RUZDIDTESA-N 0 0 444.579 3.825 40 0 IHABRN COc1ccc(NC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1Cl ZINC000409022928 556923019 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CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000013555577 557351335 /nfs/dbraw/zinc/35/13/35/557351335.db2.gz NVBYWZMIHUOFHE-IBGZPJMESA-N 0 0 425.554 3.739 40 0 IHABRN COc1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000044792317 557351532 /nfs/dbraw/zinc/35/15/32/557351532.db2.gz AOCHOVJTQSOYIQ-UHFFFAOYSA-N 0 0 444.940 3.860 40 0 IHABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1 ZINC000013561480 557351713 /nfs/dbraw/zinc/35/17/13/557351713.db2.gz CLCAFWLUGRTBMK-UHFFFAOYSA-N 0 0 432.889 3.853 40 0 IHABRN COc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044792654 557351828 /nfs/dbraw/zinc/35/18/28/557351828.db2.gz USFMDZZXJCKHEW-UHFFFAOYSA-N 0 0 438.549 3.824 40 0 IHABRN COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000222562143 557352607 /nfs/dbraw/zinc/35/26/07/557352607.db2.gz OQVHENOFLFUSCW-UHFFFAOYSA-N 0 0 438.549 3.912 40 0 IHABRN CC[C@@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000222563556 557352796 /nfs/dbraw/zinc/35/27/96/557352796.db2.gz HSCOLJWCPPHLQA-LJQANCHMSA-N 0 0 448.585 3.826 40 0 IHABRN Cc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccc(Br)cc3)CC2)c1 ZINC000013562886 557353073 /nfs/dbraw/zinc/35/30/73/557353073.db2.gz RFGXSNDKGYKEQP-UHFFFAOYSA-N 0 0 444.373 3.899 40 0 IHABRN Cc1ccccc1N(CCCC(=O)NCCCN1CCCc2ccccc21)S(C)(=O)=O ZINC000222564462 557353102 /nfs/dbraw/zinc/35/31/02/557353102.db2.gz VXLSRLNCRCDWDV-UHFFFAOYSA-N 0 0 443.613 3.500 40 0 IHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000222568061 557353625 /nfs/dbraw/zinc/35/36/25/557353625.db2.gz LLMPYDOWATVVBI-KRWDZBQOSA-N 0 0 443.569 3.706 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000222596091 557358276 /nfs/dbraw/zinc/35/82/76/557358276.db2.gz IZDZUFXPFKRRGG-DOTOQJQBSA-N 0 0 448.972 3.727 40 0 IHABRN COc1ccc(N(CCCC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000222598194 557358998 /nfs/dbraw/zinc/35/89/98/557358998.db2.gz ZCLXMMSNYDRFAH-UHFFFAOYSA-N 0 0 441.347 3.643 40 0 IHABRN COC(=O)c1cn(C(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc12 ZINC000222600061 557359221 /nfs/dbraw/zinc/35/92/21/557359221.db2.gz NRPOQHCFRVKCSI-UHFFFAOYSA-N 0 0 442.537 3.931 40 0 IHABRN CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000222612710 557361816 /nfs/dbraw/zinc/36/18/16/557361816.db2.gz HHKJBMCNTMPEAT-IBGZPJMESA-N 0 0 428.510 3.621 40 0 IHABRN COC(=O)c1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1C ZINC000222632587 557365876 /nfs/dbraw/zinc/36/58/76/557365876.db2.gz WPVNVCYMQIBVDY-UHFFFAOYSA-N 0 0 432.542 3.583 40 0 IHABRN Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000222637422 557366758 /nfs/dbraw/zinc/36/67/58/557366758.db2.gz QGBXFCRMMWAGCJ-IBGZPJMESA-N 0 0 432.586 3.742 40 0 IHABRN Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000222637353 557366790 /nfs/dbraw/zinc/36/67/90/557366790.db2.gz QGBXFCRMMWAGCJ-LJQANCHMSA-N 0 0 432.586 3.742 40 0 IHABRN Cc1ccccc1CSCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222654500 557369093 /nfs/dbraw/zinc/36/90/93/557369093.db2.gz OBELEARJGJOSMN-UHFFFAOYSA-N 0 0 438.590 3.730 40 0 IHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000222684035 557373842 /nfs/dbraw/zinc/37/38/42/557373842.db2.gz QRDOUBNHKRVVIB-CYBMUJFWSA-N 0 0 425.312 3.544 40 0 IHABRN COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000222701948 557376119 /nfs/dbraw/zinc/37/61/19/557376119.db2.gz SOXIAPIPZRVAQN-MRXNPFEDSA-N 0 0 448.585 3.645 40 0 IHABRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 ZINC000222703029 557376355 /nfs/dbraw/zinc/37/63/55/557376355.db2.gz HMLXMYKFYMWUQB-UZLBHIALSA-N 0 0 446.569 3.577 40 0 IHABRN C[C@H](C(=O)NCCSC(C)(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000113940598 557379969 /nfs/dbraw/zinc/37/99/69/557379969.db2.gz KPKRPSXPNSACRJ-LLVKDONJSA-N 0 0 427.419 3.796 40 0 IHABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCc2ccco2)cc1OC ZINC000222730818 557380346 /nfs/dbraw/zinc/38/03/46/557380346.db2.gz LJZGYSGKNBVGFL-GOSISDBHSA-N 0 0 436.508 3.573 40 0 IHABRN CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000113949943 557381100 /nfs/dbraw/zinc/38/11/00/557381100.db2.gz LLFHQFLSSZUGQU-FQEVSTJZSA-N 0 0 438.977 3.988 40 0 IHABRN CC(C)Oc1cccc(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000113955912 557381366 /nfs/dbraw/zinc/38/13/66/557381366.db2.gz KYPYDSKXDUUESV-UHFFFAOYSA-N 0 0 438.977 3.990 40 0 IHABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)cc12 ZINC000013658204 557382306 /nfs/dbraw/zinc/38/23/06/557382306.db2.gz HSIFOOBFEWXMTK-IBGZPJMESA-N 0 0 425.554 3.794 40 0 IHABRN Cc1ccc(CNC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000113961632 557382313 /nfs/dbraw/zinc/38/23/13/557382313.db2.gz JSPLHABDEQUBJV-UHFFFAOYSA-N 0 0 428.476 3.876 40 0 IHABRN Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C ZINC000222751455 557383038 /nfs/dbraw/zinc/38/30/38/557383038.db2.gz IQGGENHTWRIZQF-UHFFFAOYSA-N 0 0 430.570 3.910 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1cccc(Br)c1 ZINC000222759758 557383608 /nfs/dbraw/zinc/38/36/08/557383608.db2.gz FOPMBGPJKAOXNP-UHFFFAOYSA-N 0 0 447.354 3.685 40 0 IHABRN CC(C)Oc1ccc(CNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000113966420 557384154 /nfs/dbraw/zinc/38/41/54/557384154.db2.gz GSAZEFXGVKVIGF-UHFFFAOYSA-N 0 0 440.512 3.615 40 0 IHABRN CC[C@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000113967585 557384453 /nfs/dbraw/zinc/38/44/53/557384453.db2.gz PDMSVVZCLNWAHD-NRFANRHFSA-N 0 0 434.558 3.518 40 0 IHABRN COCc1nn2c(nnc3c2C[C@@H](c2ccccc2OC)CC3=O)c1-c1ccccc1OC ZINC000013639392 557384586 /nfs/dbraw/zinc/38/45/86/557384586.db2.gz MCHSKQHTZYUJQF-OAHLLOKOSA-N 0 0 444.491 3.868 40 0 IHABRN COCc1nn2c(nnc3c2C[C@@H](c2ccccc2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013639456 557384887 /nfs/dbraw/zinc/38/48/87/557384887.db2.gz NSFYYWFCPNCHQB-QGZVFWFLSA-N 0 0 444.491 3.868 40 0 IHABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)[nH]c(C)c1I ZINC000222771378 557385120 /nfs/dbraw/zinc/38/51/20/557385120.db2.gz BLQYADSGQIHPOM-CABCVRRESA-N 0 0 426.327 3.624 40 0 IHABRN COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)cc1 ZINC000072349563 557385119 /nfs/dbraw/zinc/38/51/19/557385119.db2.gz WRPIGXQTCXVQAK-OAQYLSRUSA-N 0 0 429.520 3.805 40 0 IHABRN COc1ccc(N([C@@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl ZINC000222775908 557385625 /nfs/dbraw/zinc/38/56/25/557385625.db2.gz XNMFREOTXMBCJB-HNNXBMFYSA-N 0 0 446.956 3.973 40 0 IHABRN COCCOc1cccc(CN2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)c1 ZINC000072351842 557386705 /nfs/dbraw/zinc/38/67/05/557386705.db2.gz TVSUOPNKRLCXDN-SANMLTNESA-N 0 0 445.563 3.659 40 0 IHABRN CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000072351882 557386789 /nfs/dbraw/zinc/38/67/89/557386789.db2.gz VSGUNMSDYYRBHB-VWLOTQADSA-N 0 0 443.547 3.602 40 0 IHABRN CCN1CCN(C(=O)c2ccccn2)[C@@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O ZINC000072351448 557387058 /nfs/dbraw/zinc/38/70/58/557387058.db2.gz GDZXFVYMGGTQST-DEOSSOPVSA-N 0 0 429.520 3.673 40 0 IHABRN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)COc3ccccc3)C2)c1 ZINC000072358677 557387721 /nfs/dbraw/zinc/38/77/21/557387721.db2.gz MTEIVMLUQGXMIJ-HXUWFJFHSA-N 0 0 430.508 3.887 40 0 IHABRN CC(C)CSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)s1 ZINC000222805135 557388414 /nfs/dbraw/zinc/38/84/14/557388414.db2.gz AGMQASMKGKHFPX-UHFFFAOYSA-N 0 0 434.996 3.588 40 0 IHABRN CC(C)Oc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 ZINC000222805715 557388697 /nfs/dbraw/zinc/38/86/97/557388697.db2.gz CXHQCOQANKUCSZ-UHFFFAOYSA-N 0 0 426.538 3.709 40 0 IHABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N(C)c1ccccc1 ZINC000222805358 557388749 /nfs/dbraw/zinc/38/87/49/557388749.db2.gz SBTNRJQYMQZQLA-UHFFFAOYSA-N 0 0 428.485 3.977 40 0 IHABRN Cc1ccc([C@H](NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)cc1 ZINC000222835361 557391612 /nfs/dbraw/zinc/39/16/12/557391612.db2.gz AFPIHEUHWUMBMK-QGZVFWFLSA-N 0 0 444.582 3.899 40 0 IHABRN COc1cccc(N(CCCC(=O)NCc2cccc3ccccc32)S(C)(=O)=O)c1 ZINC000222886928 557398481 /nfs/dbraw/zinc/39/84/81/557398481.db2.gz AJBFIQRCDOMOHM-UHFFFAOYSA-N 0 0 426.538 3.711 40 0 IHABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc21)c1ccc(F)c(F)c1 ZINC000222887860 557398784 /nfs/dbraw/zinc/39/87/84/557398784.db2.gz KDKGFKMSCQADII-UHFFFAOYSA-N 0 0 432.492 3.981 40 0 IHABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC)cc1OCC ZINC000222957476 557408248 /nfs/dbraw/zinc/40/82/48/557408248.db2.gz FWBQTNYPTFNFSZ-NRFANRHFSA-N 0 0 426.557 3.970 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1C ZINC000223031480 557418161 /nfs/dbraw/zinc/41/81/61/557418161.db2.gz PZSVFXSPGKPZGW-KRWDZBQOSA-N 0 0 447.373 3.998 40 0 IHABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000223035949 557419002 /nfs/dbraw/zinc/41/90/02/557419002.db2.gz RLQQQMVZEBNUSD-SFTDATJTSA-N 0 0 437.521 3.747 40 0 IHABRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1c(Cl)cccc1Cl ZINC000223047005 557420786 /nfs/dbraw/zinc/42/07/86/557420786.db2.gz MAZYXIAWUVNBAR-UHFFFAOYSA-N 0 0 443.352 3.586 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223065675 557424454 /nfs/dbraw/zinc/42/44/54/557424454.db2.gz HHZMUWXANNWAQC-KRWDZBQOSA-N 0 0 447.373 3.998 40 0 IHABRN CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 ZINC000223078064 557427157 /nfs/dbraw/zinc/42/71/57/557427157.db2.gz CVNGJQCJEVPDJT-JOCHJYFZSA-N 0 0 447.576 3.585 40 0 IHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 ZINC000223083566 557428457 /nfs/dbraw/zinc/42/84/57/557428457.db2.gz VKBJOOGEALILEY-VWLOTQADSA-N 0 0 446.547 3.850 40 0 IHABRN CCOc1cc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc(OCC)c1OCC ZINC000014271351 557430537 /nfs/dbraw/zinc/43/05/37/557430537.db2.gz YSTZUSAWFHNRMS-UHFFFAOYSA-N 0 0 446.525 3.781 40 0 IHABRN CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc2c(c1)CCCC2 ZINC000223100578 557431257 /nfs/dbraw/zinc/43/12/57/557431257.db2.gz UECXXGRDRXHNQP-OFNKIYASSA-N 0 0 442.581 3.668 40 0 IHABRN COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1OC ZINC000223100904 557431333 /nfs/dbraw/zinc/43/13/33/557431333.db2.gz QWEZRPJXVZPCME-UHFFFAOYSA-N 0 0 429.270 3.590 40 0 IHABRN CCCN1c2ccc(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)cc2S(=O)(=O)N=C1C ZINC000223115113 557433732 /nfs/dbraw/zinc/43/37/32/557433732.db2.gz KKRZZZMZTLHMEB-UHFFFAOYSA-N 0 0 441.488 3.805 40 0 IHABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 ZINC000223122992 557434800 /nfs/dbraw/zinc/43/48/00/557434800.db2.gz HXZQRLYOIHTVDD-IRXDYDNUSA-N 0 0 446.519 3.554 40 0 IHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 ZINC000223122923 557434807 /nfs/dbraw/zinc/43/48/07/557434807.db2.gz HXZQRLYOIHTVDD-SJORKVTESA-N 0 0 446.519 3.554 40 0 IHABRN CC[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223137016 557437636 /nfs/dbraw/zinc/43/76/36/557437636.db2.gz AGWJWZLWPQLCQP-QFIPXVFZSA-N 0 0 432.561 3.734 40 0 IHABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 ZINC000223154050 557439774 /nfs/dbraw/zinc/43/97/74/557439774.db2.gz FRYNGCJCFYGQSC-DEOSSOPVSA-N 0 0 438.549 3.530 40 0 IHABRN CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000026109945 557439806 /nfs/dbraw/zinc/43/98/06/557439806.db2.gz KVYVGHSGHSYUHE-INIZCTEOSA-N 0 0 433.401 3.794 40 0 IHABRN CN(c1ccc(C(=O)NCCSCc2ccco2)cc1)S(=O)(=O)c1cccs1 ZINC000026113986 557441028 /nfs/dbraw/zinc/44/10/28/557441028.db2.gz LMAYWONKINFMDG-UHFFFAOYSA-N 0 0 436.580 3.829 40 0 IHABRN COc1ccccc1CNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 ZINC000026116001 557444421 /nfs/dbraw/zinc/44/44/21/557444421.db2.gz UMQLJKOUEDBDQQ-UHFFFAOYSA-N 0 0 434.583 3.522 40 0 IHABRN CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414714 557445586 /nfs/dbraw/zinc/44/55/86/557445586.db2.gz QWVDGGLJBVQEIO-UHFFFAOYSA-N 0 0 429.369 3.856 40 0 IHABRN COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223205360 557445907 /nfs/dbraw/zinc/44/59/07/557445907.db2.gz VYPSKUKXPYUCJN-RUZDIDTESA-N 0 0 448.538 3.771 40 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Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)C=Cc4ccccc4)c3C)nn12 ZINC000017099003 557481994 /nfs/dbraw/zinc/48/19/94/557481994.db2.gz BCNKOZSIHYHZPY-VAWYXSNFSA-N 0 0 434.550 3.996 40 0 IHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C)c2ccccc2)cc1 ZINC000223539800 557483211 /nfs/dbraw/zinc/48/32/11/557483211.db2.gz YXWJHAKJCBQDMA-UHFFFAOYSA-N 0 0 438.549 3.694 40 0 IHABRN COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000223543161 557483554 /nfs/dbraw/zinc/48/35/54/557483554.db2.gz UGFBRXNZDZVEDH-RUZDIDTESA-N 0 0 446.503 3.830 40 0 IHABRN Cc1ccc(N(CCCC(=O)NCCOc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000223557168 557485616 /nfs/dbraw/zinc/48/56/16/557485616.db2.gz JHYQOFBACXLTDE-UHFFFAOYSA-N 0 0 440.565 3.890 40 0 IHABRN COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223558792 557485993 /nfs/dbraw/zinc/48/59/93/557485993.db2.gz MFZYSZYBYGQMKM-SANMLTNESA-N 0 0 446.547 3.770 40 0 IHABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C(=O)NCCO)c2ccccc2)cc1 ZINC000223562871 557486507 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MZZGVBLWWSQWNX-UHFFFAOYSA-N 0 0 429.929 3.731 40 0 IHABRN CC(C)(C)c1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000223650562 557497365 /nfs/dbraw/zinc/49/73/65/557497365.db2.gz JIECNNJFJJGBTR-UHFFFAOYSA-N 0 0 444.597 3.968 40 0 IHABRN COc1cccc(-c2noc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)n2)c1 ZINC000223654473 557497813 /nfs/dbraw/zinc/49/78/13/557497813.db2.gz PNIFLSCLDBHRSP-UHFFFAOYSA-N 0 0 428.297 3.672 40 0 IHABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 ZINC000019220764 557497892 /nfs/dbraw/zinc/49/78/92/557497892.db2.gz UZTPYCDVGUESIK-JOCHJYFZSA-N 0 0 428.540 3.726 40 0 IHABRN Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019221887 557498143 /nfs/dbraw/zinc/49/81/43/557498143.db2.gz KVGWKMTYQURVEH-JOCHJYFZSA-N 0 0 428.540 3.726 40 0 IHABRN O=S(=O)(Cc1cccc(Br)c1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223655933 557498207 /nfs/dbraw/zinc/49/82/07/557498207.db2.gz MXVRONJAKSPYJD-UHFFFAOYSA-N 0 0 442.722 3.772 40 0 IHABRN CN(c1ccc(Cl)c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O ZINC000223656294 557498313 /nfs/dbraw/zinc/49/83/13/557498313.db2.gz MHINECOMHMBXAX-UHFFFAOYSA-N 0 0 438.977 3.842 40 0 IHABRN CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)NN(Cc4ccccc4)[C@@H]3C2=O)cc1 ZINC000019171376 557498378 /nfs/dbraw/zinc/49/83/78/557498378.db2.gz SOIABYWLHAPPRM-VXNXHJTFSA-N 0 0 427.504 3.705 40 0 IHABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 ZINC000223675052 557500490 /nfs/dbraw/zinc/50/04/90/557500490.db2.gz MOVRIEHXDRPPPR-JOCHJYFZSA-N 0 0 426.557 3.839 40 0 IHABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C ZINC000223681583 557501575 /nfs/dbraw/zinc/50/15/75/557501575.db2.gz BMIUYGFLLPNTBZ-FGZHOGPDSA-N 0 0 438.553 3.677 40 0 IHABRN COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)c(Cl)c1Cl ZINC000223695125 557503041 /nfs/dbraw/zinc/50/30/41/557503041.db2.gz ROUCNSKSSCGHCP-UHFFFAOYSA-N 0 0 436.313 3.506 40 0 IHABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000019643424 557504415 /nfs/dbraw/zinc/50/44/15/557504415.db2.gz UJLGMONSDSFZGC-UHFFFAOYSA-N 0 0 445.500 3.931 40 0 IHABRN COc1cc(NC(=S)NC(=O)C=Cc2ccco2)ccc1N1C(=O)c2ccccc2C1=O ZINC000019645849 557504914 /nfs/dbraw/zinc/50/49/14/557504914.db2.gz ZEYUINHFXPTULT-PKNBQFBNSA-N 0 0 447.472 3.615 40 0 IHABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000223711346 557504929 /nfs/dbraw/zinc/50/49/29/557504929.db2.gz UATOJRXRAYIORC-HOTGVXAUSA-N 0 0 440.388 3.831 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000223711500 557504944 /nfs/dbraw/zinc/50/49/44/557504944.db2.gz XSZIYFCYGBQKOX-UHFFFAOYSA-N 0 0 426.888 3.821 40 0 IHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 ZINC000223731253 557506938 /nfs/dbraw/zinc/50/69/38/557506938.db2.gz WMSPOQJCSXDLMJ-VWLOTQADSA-N 0 0 446.547 3.850 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccc(C)cc2)cc1 ZINC000223737378 557507427 /nfs/dbraw/zinc/50/74/27/557507427.db2.gz PDZWNCPSEQXMNL-UHFFFAOYSA-N 0 0 428.554 3.816 40 0 IHABRN CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000223741041 557507843 /nfs/dbraw/zinc/50/78/43/557507843.db2.gz VKYFJHRYFBERLL-IBGZPJMESA-N 0 0 444.597 3.580 40 0 IHABRN CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000223787227 557513091 /nfs/dbraw/zinc/51/30/91/557513091.db2.gz HGZLYCBLBPCSFH-UHFFFAOYSA-N 0 0 435.760 3.772 40 0 IHABRN CCc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000223786769 557513125 /nfs/dbraw/zinc/51/31/25/557513125.db2.gz LQJSLJRYCWDRSD-UHFFFAOYSA-N 0 0 432.586 3.508 40 0 IHABRN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(=O)NC(C)C ZINC000223786613 557513194 /nfs/dbraw/zinc/51/31/94/557513194.db2.gz HBZWPGXAWLZVDS-UHFFFAOYSA-N 0 0 432.542 3.956 40 0 IHABRN COc1ccccc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000223800653 557515023 /nfs/dbraw/zinc/51/50/23/557515023.db2.gz OPXXABRZQCQPBE-UHFFFAOYSA-N 0 0 428.554 3.816 40 0 IHABRN CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(c2cccc(OC)c2)CC1 ZINC000020098363 557515103 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CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000138566777 569253905 /nfs/dbraw/zinc/25/39/05/569253905.db2.gz RYGKCSMTHGOJKF-UHFFFAOYSA-N 0 0 440.496 3.771 40 0 IHABRN COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000138678214 569254044 /nfs/dbraw/zinc/25/40/44/569254044.db2.gz ZQSILBFLZZBSHD-UHFFFAOYSA-N 0 0 434.448 3.527 40 0 IHABRN COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000205747738 569255603 /nfs/dbraw/zinc/25/56/03/569255603.db2.gz WDEREPNSPLEXKR-YBFXNURJSA-N 0 0 427.478 3.792 40 0 IHABRN COC[C@@]1(C(N)=S)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252515956 569288177 /nfs/dbraw/zinc/28/81/77/569288177.db2.gz OXOAOMWXKDCWAE-NUJGCVRESA-N 0 0 430.378 3.852 40 0 IHABRN CCC[C@H](O)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000077300648 569293382 /nfs/dbraw/zinc/29/33/82/569293382.db2.gz MGRMJQDIUBITKP-IBGZPJMESA-N 0 0 438.919 3.758 40 0 in-vitro IHABRN COc1ccc(-c2noc(-c3cccc(N4C(=O)[C@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O)c3)n2)cc1OC ZINC000009216192 569294376 /nfs/dbraw/zinc/29/43/76/569294376.db2.gz PPTLNUMESRNWKF-ZVLVQXPOSA-N 0 0 445.475 3.956 40 0 IHABRN O=C1N[C@@H](c2cccc(Br)c2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000009704295 569297799 /nfs/dbraw/zinc/29/77/99/569297799.db2.gz QFHWXDRJPSSTMX-JKIFEVAISA-N 0 0 443.219 3.553 40 0 IHABRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000070688027 569315429 /nfs/dbraw/zinc/31/54/29/569315429.db2.gz MGMLBFBCDCPWIV-ZKQMUMTKSA-N 0 0 446.628 3.944 40 0 biogenic IHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(O)ccc1Br ZINC000261362464 569315567 /nfs/dbraw/zinc/31/55/67/569315567.db2.gz DDMNMHNFFWSAAV-MRXNPFEDSA-O 0 0 432.323 3.689 40 0 IHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2C=Cc1ccc(OC)cc1 ZINC000261364173 569315834 /nfs/dbraw/zinc/31/58/34/569315834.db2.gz JSZXMZZMQPXHGN-IXDOJHRFSA-O 0 0 435.529 3.836 40 0 IHABRN CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000019695994 569326741 /nfs/dbraw/zinc/32/67/41/569326741.db2.gz QFEBNONOWLSGRO-AREMUKBSSA-N 0 0 442.519 3.573 40 0 IHABRN Cc1nc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765281 569329025 /nfs/dbraw/zinc/32/90/25/569329025.db2.gz XATWQSUAHNGFQX-SFHVURJKSA-N 0 0 448.498 3.961 40 0 IHABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCCN2C(=O)COc2ccccc2)n1 ZINC000019766491 569329083 /nfs/dbraw/zinc/32/90/83/569329083.db2.gz XMAPPYJFUXPPAR-HSZRJFAPSA-N 0 0 444.535 3.848 40 0 IHABRN COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2ccccc2)cc1 ZINC000019766709 569329284 /nfs/dbraw/zinc/32/92/84/569329284.db2.gz OSSVAMDPDNAWMI-QFIPXVFZSA-N 0 0 430.508 3.701 40 0 IHABRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218126579 569456407 /nfs/dbraw/zinc/45/64/07/569456407.db2.gz ZRBWAJFJOXJGTB-WSTZPKSXSA-N 0 0 439.986 3.597 40 0 IHABRN Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000008828136 569477785 /nfs/dbraw/zinc/47/77/85/569477785.db2.gz UMELROWOHBTGJL-IBGZPJMESA-N 0 0 445.928 3.699 40 0 IHABRN CC(C)[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000328964605 569583457 /nfs/dbraw/zinc/58/34/57/569583457.db2.gz BXCXXXMQDVMGNL-IBGZPJMESA-N 0 0 442.361 4.342 40 0 IHABRN CO[C@H](C(=O)N1CCC(c2cn3cccc3c(Nc3cc(C)[nH]n3)n2)CC1)c1ccccc1 ZINC000585263136 569584113 /nfs/dbraw/zinc/58/41/13/569584113.db2.gz OFWIJLUSJVJLBI-QHCPKHFHSA-N 0 0 444.539 4.203 40 0 IHABRN O=[SH](=O)Nc1ccc(NN=c2cc(C(F)(F)F)nc(NC3CCCCC3)[nH]2)cc1 ZINC000328984495 569584261 /nfs/dbraw/zinc/58/42/61/569584261.db2.gz HNISWJWLZGKBCJ-UHFFFAOYSA-N 0 0 430.456 4.448 40 0 IHABRN Cc1nc(/C=C/C(=O)N2CCC(c3nccnc3Nc3nc(C)c(C)s3)CC2)cs1 ZINC000585291550 569584792 /nfs/dbraw/zinc/58/47/92/569584792.db2.gz RVPNQOMIJDLDMN-SNAWJCMRSA-N 0 0 440.598 4.478 40 0 IHABRN COc1ccccc1C(=O)NC(=S)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 ZINC000020411876 569584844 /nfs/dbraw/zinc/58/48/44/569584844.db2.gz KNKITDWHRYNIIE-UHFFFAOYSA-N 0 0 429.523 3.997 40 0 IHABRN CCc1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 ZINC000032127465 569584861 /nfs/dbraw/zinc/58/48/61/569584861.db2.gz LCLHNIPMEIOMHX-UHFFFAOYSA-N 0 0 426.567 3.822 40 0 IHABRN CC[C@H](Nc1c(=O)c(=O)c1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1 ZINC000103713285 569586924 /nfs/dbraw/zinc/58/69/24/569586924.db2.gz DGKQQEVYYPCMNE-HNNXBMFYSA-N 0 0 425.485 3.713 40 0 IHABRN CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)NC3CCCCC3)C2)cc1 ZINC000004237270 291364644 /nfs/dbraw/zinc/36/46/44/291364644.db2.gz XFBQOVMSZPYEGF-AZUAARDMSA-N 0 0 448.567 3.935 40 0 biogenic,in-vitro IHABRN COc1cc(-c2oc3c(OC)c(OC)cc(OC)c3c(=O)c2OC)cc(OC)c1OC ZINC000002585423 291369065 /nfs/dbraw/zinc/36/90/65/291369065.db2.gz AFQWYRUBZJYCIF-UHFFFAOYSA-N 0 0 432.425 3.520 40 0 biogenic,in-vitro IHABRN COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)CC(C)(C)C)cc2)cc1 ZINC000067896335 291370876 /nfs/dbraw/zinc/37/08/76/291370876.db2.gz JSJCBPWIKKKAOL-ZJSXRUAMSA-N 0 0 440.540 3.531 40 0 biogenic,in-vitro IHABRN COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4cnccn4)C=C3C)[nH]c2n1 ZINC000072320892 291371413 /nfs/dbraw/zinc/37/14/13/291371413.db2.gz QAFQMIZJJVPSBQ-BZSNNMDCSA-N 0 0 434.544 3.584 40 0 biogenic,in-vitro IHABRN Cc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccccc5)n4)CO[C@H]23)cc1 ZINC000005434076 291373713 /nfs/dbraw/zinc/37/37/13/291373713.db2.gz OXJULQOCQFLNOQ-DXBBTUNJSA-N 0 0 432.480 3.647 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 ZINC000072321103 291376027 /nfs/dbraw/zinc/37/60/27/291376027.db2.gz IMJQHHXQIAICIT-ISKFKSNPSA-N 0 0 431.492 3.792 40 0 biogenic,in-vitro IHABRN Cc1c(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(=O)n(-c2ccccc2)n1C ZINC000006088809 193878671 /nfs/dbraw/zinc/87/86/71/193878671.db2.gz JZLOVPNJANGFLE-UHFFFAOYSA-N 0 0 431.517 3.856 40 0 IHABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1C ZINC000006280456 193895117 /nfs/dbraw/zinc/89/51/17/193895117.db2.gz NEEDOCMSIIYHBX-UHFFFAOYSA-N 0 0 433.508 3.876 40 0 IHABRN Cc1nc([C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 ZINC000019762954 193916288 /nfs/dbraw/zinc/91/62/88/193916288.db2.gz UQBZRTZLGNBAJQ-FQEVSTJZSA-N 0 0 438.547 3.889 40 0 IHABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC ZINC000223267374 193959669 /nfs/dbraw/zinc/95/96/69/193959669.db2.gz VOXVTGZYUFEMQP-QHCPKHFHSA-N 0 0 426.557 3.588 40 0 IHABRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(F)cc1 ZINC000223298001 193964037 /nfs/dbraw/zinc/96/40/37/193964037.db2.gz OCDNGPSLNCDTTN-JTQLQIEISA-N 0 0 440.909 3.622 40 0 IHABRN CC(C)c1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000408605321 193974364 /nfs/dbraw/zinc/97/43/64/193974364.db2.gz GIFBEXQVRJRAEL-UHFFFAOYSA-N 0 0 439.375 3.973 40 0 IHABRN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(Br)cc1 ZINC000408612529 193979356 /nfs/dbraw/zinc/97/93/56/193979356.db2.gz SBUMXYHOINCQDS-UHFFFAOYSA-N 0 0 431.739 3.503 40 0 IHABRN COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000013503986 132347533 /nfs/dbraw/zinc/34/75/33/132347533.db2.gz XWFOZOUNAPHUPQ-HSZRJFAPSA-N 0 0 434.588 3.965 40 0 IHABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000013504135 132347739 /nfs/dbraw/zinc/34/77/39/132347739.db2.gz ATZYZEORTWXZEP-QFIPXVFZSA-N 0 0 438.551 3.878 40 0 IHABRN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccccc2OC)CC1 ZINC000013504180 132347752 /nfs/dbraw/zinc/34/77/52/132347752.db2.gz SEMJUBHNGHBCNW-JOCHJYFZSA-N 0 0 438.551 3.878 40 0 IHABRN COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000013504650 132348301 /nfs/dbraw/zinc/34/83/01/132348301.db2.gz MVFMXIYEQWCFLR-RUZDIDTESA-N 0 0 440.551 3.642 40 0 IHABRN Fc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3ccccc3F)CC2)cc1 ZINC000013504690 132348342 /nfs/dbraw/zinc/34/83/42/132348342.db2.gz JUPGPAVEHHWFIF-DEOSSOPVSA-N 0 0 446.505 3.911 40 0 IHABRN CC(C)(C)n1nnnc1[C@H](c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013561802 132349810 /nfs/dbraw/zinc/34/98/10/132349810.db2.gz CLEFHPXTRJNSAJ-IBGZPJMESA-N 0 0 445.493 3.754 40 0 IHABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc2c(c1)OCO2 ZINC000012638063 518746751 /nfs/dbraw/zinc/74/67/51/518746751.db2.gz BQZLLEPFWXELBP-LJQANCHMSA-N 0 0 438.509 3.570 40 0 IHABRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012870940 518746876 /nfs/dbraw/zinc/74/68/76/518746876.db2.gz KUJDVULWTXEDNN-QGZVFWFLSA-N 0 0 429.933 3.889 40 0 IHABRN CC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000022389006 518909513 /nfs/dbraw/zinc/90/95/13/518909513.db2.gz OOVRJFLLCVQTDC-UHFFFAOYSA-N 0 0 430.592 3.730 40 0 IHABRN CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)cc1 ZINC000016777826 519723195 /nfs/dbraw/zinc/72/31/95/519723195.db2.gz VSYMLYOKQOQJQV-UHFFFAOYSA-N 0 0 432.509 3.791 40 0 IHABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000022226899 519732810 /nfs/dbraw/zinc/73/28/10/519732810.db2.gz 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569246342 /nfs/dbraw/zinc/24/63/42/569246342.db2.gz DCSBCASHAVTZAO-DHDCSXOGSA-N 0 0 448.859 3.610 40 0 IHABRN CCOc1cc(C(=O)OCC(=O)c2ccccc2)cc(I)c1OC ZINC000033780461 569246712 /nfs/dbraw/zinc/24/67/12/569246712.db2.gz HOMYYEPDHFQBSG-UHFFFAOYSA-N 0 0 440.233 3.738 40 0 IHABRN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cc(OC)cc(OC)c1 ZINC000034688618 569247192 /nfs/dbraw/zinc/24/71/92/569247192.db2.gz ZUKGMBLRFWFEDP-UHFFFAOYSA-N 0 0 428.514 3.722 40 0 IHABRN O=C(Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21)NC1CCCC1 ZINC000039556463 569249129 /nfs/dbraw/zinc/24/91/29/569249129.db2.gz GXGMAETUQOJLNF-STZFKDTASA-N 0 0 444.560 3.962 40 0 IHABRN CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000039556545 569249171 /nfs/dbraw/zinc/24/91/71/569249171.db2.gz YOXQNTXXOFNMTA-FPXKJXHESA-N 0 0 438.597 3.634 40 0 IHABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000044905957 569249418 /nfs/dbraw/zinc/24/94/18/569249418.db2.gz LVVSFIPKAZELRX-FOIQADDNSA-N 0 0 436.961 3.751 40 0 IHABRN CC(C)(C)NC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 ZINC000105942049 569250358 /nfs/dbraw/zinc/25/03/58/569250358.db2.gz WEXXRQGWVGTJBI-ZIAGYGMSSA-N 0 0 431.583 3.983 40 0 IHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2)cc1C ZINC000107783919 569251207 /nfs/dbraw/zinc/25/12/07/569251207.db2.gz NTFOWVJWSWQHKK-UHFFFAOYSA-N 0 0 438.549 3.876 40 0 IHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3OC(C)C)C2=O)o1 ZINC000107900494 569251592 /nfs/dbraw/zinc/25/15/92/569251592.db2.gz DHJXNEHLKKACHP-OVCLIPMQSA-N 0 0 448.859 3.608 40 0 IHABRN CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000107934547 569251729 /nfs/dbraw/zinc/25/17/29/569251729.db2.gz SJFBAZLGUFFBGF-OAQYLSRUSA-N 0 0 441.553 3.606 40 0 IHABRN CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2c(CC)cccc2CC)C1 ZINC000111880753 569253691 /nfs/dbraw/zinc/25/36/91/569253691.db2.gz IEZNMCAOWMYTKI-LJQANCHMSA-N 0 0 438.524 3.745 40 0 IHABRN O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)NC1CCCCC1 ZINC000138607375 569254020 /nfs/dbraw/zinc/25/40/20/569254020.db2.gz XFUUKPXBJKAIRN-UHFFFAOYSA-N 0 0 445.741 3.813 40 0 IHABRN C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 ZINC000138710882 569254131 /nfs/dbraw/zinc/25/41/31/569254131.db2.gz VECCFZPPEMVMEW-DZGCQCFKSA-N 0 0 435.307 3.767 40 0 IHABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1Cl ZINC000138889377 569254257 /nfs/dbraw/zinc/25/42/57/569254257.db2.gz OFYJWGMRZMEPGL-NSHDSACASA-N 0 0 425.243 3.667 40 0 IHABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000139118995 569254819 /nfs/dbraw/zinc/25/48/19/569254819.db2.gz PIXGVSSCVNFDEZ-HUUCEWRRSA-N 0 0 443.935 3.565 40 0 IHABRN CCOC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515834 569288211 /nfs/dbraw/zinc/28/82/11/569288211.db2.gz NXTBSGNZEXXYDM-SCTDSRPQSA-N 0 0 427.950 3.728 40 0 IHABRN COC(=O)CCNC(=O)/C=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000062715014 569288620 /nfs/dbraw/zinc/28/86/20/569288620.db2.gz JAGHVCWVUVPPPS-CMDGGOBGSA-N 0 0 448.313 3.729 40 0 IHABRN CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3ccccc3)nc2N)cc1 ZINC000008780886 569290453 /nfs/dbraw/zinc/29/04/53/569290453.db2.gz IQYUSIQOITZVCH-UHFFFAOYSA-N 0 0 427.555 3.774 40 0 IHABRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000070688022 569315499 /nfs/dbraw/zinc/31/54/99/569315499.db2.gz MGMLBFBCDCPWIV-KPIKZSJYSA-N 0 0 446.628 3.944 40 0 biogenic IHABRN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccccc2F)CCO1 ZINC000019697724 569326891 /nfs/dbraw/zinc/32/68/91/569326891.db2.gz XQXLZLVJEAYKPC-IBGZPJMESA-N 0 0 428.529 3.990 40 0 IHABRN Cc1nc(CN(C)CCOc2ccc(F)cc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019698557 569326972 /nfs/dbraw/zinc/32/69/72/569326972.db2.gz VEICRYNUCWTAOR-UHFFFAOYSA-N 0 0 448.542 3.957 40 0 IHABRN CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2ccccn2)CC1 ZINC000019700276 569327195 /nfs/dbraw/zinc/32/71/95/569327195.db2.gz NOZNEBHKBBSNHW-UHFFFAOYSA-N 0 0 427.548 3.889 40 0 IHABRN Cc1nc([C@H]2CCCN2C(=O)c2ccccc2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019739649 569328193 /nfs/dbraw/zinc/32/81/93/569328193.db2.gz LPLCFGJTCHXGSM-JOCHJYFZSA-N 0 0 426.520 3.894 40 0 IHABRN CNC(=O)c1cnc(C)nc1CC1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000019756850 569328544 /nfs/dbraw/zinc/32/85/44/569328544.db2.gz LIFNQHJFENAPHX-UHFFFAOYSA-N 0 0 428.536 3.907 40 0 IHABRN CC(C)(C)c1ccc(SCc2nn(CN3CCOCC3)c(=O)n2-c2ccccc2)cc1 ZINC000028527436 569410566 /nfs/dbraw/zinc/41/05/66/569410566.db2.gz HRWDLLGFQVGHMH-UHFFFAOYSA-N 0 0 438.597 3.914 40 0 IHABRN CCOC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217925356 569454990 /nfs/dbraw/zinc/45/49/90/569454990.db2.gz NXTBSGNZEXXYDM-LNLFQRSKSA-N 0 0 427.950 3.728 40 0 IHABRN COC[C@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624505 569458818 /nfs/dbraw/zinc/45/88/18/569458818.db2.gz OXOAOMWXKDCWAE-RYRKJORJSA-N 0 0 430.378 3.852 40 0 IHABRN COC[C@@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622785 569458898 /nfs/dbraw/zinc/45/88/98/569458898.db2.gz SFGHIZLBYZSJPD-XYJFISCASA-N 0 0 430.378 3.852 40 0 IHABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000329023018 569583277 /nfs/dbraw/zinc/58/32/77/569583277.db2.gz OQHQWCOVPKEJKH-LJQANCHMSA-N 0 0 442.361 4.342 40 0 IHABRN CC(C)[C@H](CO)Nc1nc(Nc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000329015845 569583439 /nfs/dbraw/zinc/58/34/39/569583439.db2.gz NCKFMKMVLWVXCB-SFHVURJKSA-N 0 0 428.334 4.474 40 0 IHABRN CC(C)(C)CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000067896564 291364861 /nfs/dbraw/zinc/36/48/61/291364861.db2.gz SBOMDJODQYOYSW-NFBKMPQASA-N 0 0 428.504 3.661 40 0 biogenic,in-vitro IHABRN CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 ZINC000004237426 291366680 /nfs/dbraw/zinc/36/66/80/291366680.db2.gz XLNSQOCPGRAXJO-DOTOQJQBSA-N 0 0 428.579 3.889 40 0 biogenic,in-vitro IHABRN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000096111930 291368363 /nfs/dbraw/zinc/36/83/63/291368363.db2.gz ZHKLDWFLJUQCLR-HKUYNNGSSA-N 0 0 436.430 3.600 40 0 biogenic,in-vitro IHABRN COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC ZINC000001694496 291369048 /nfs/dbraw/zinc/36/90/48/291369048.db2.gz UAELIRBOLQZEAT-UHFFFAOYSA-N 0 0 432.425 3.520 40 0 biogenic,in-vitro IHABRN COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000004777911 291369607 /nfs/dbraw/zinc/36/96/07/291369607.db2.gz KABPASQHFAUTDF-XZUXRINTSA-N 0 0 442.464 3.630 40 0 biogenic,in-vitro IHABRN COc1ccc(-c2noc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2[C@H](C)O)cc1 ZINC000253407764 291370487 /nfs/dbraw/zinc/37/04/87/291370487.db2.gz WSZZDLZKRFEJPF-HNNXBMFYSA-N 0 0 425.460 3.505 40 0 biogenic,in-vitro IHABRN COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)C4CCCCC4)C[C@@H]2C(=O)N3)cc1 ZINC000004235877 291370534 /nfs/dbraw/zinc/37/05/34/291370534.db2.gz QKOTUFVBZBWEDO-HSZRJFAPSA-N 0 0 447.535 3.548 40 0 biogenic,in-vitro IHABRN COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)Cc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000049590459 291371408 /nfs/dbraw/zinc/37/14/08/291371408.db2.gz IMZCOAUTHMSUQJ-FPOVZHCZSA-N 0 0 434.536 3.613 40 0 biogenic,in-vitro IHABRN CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)cc1 ZINC000072321992 291372262 /nfs/dbraw/zinc/37/22/62/291372262.db2.gz JOGFSWCGYPUZHM-QFIPXVFZSA-N 0 0 436.537 3.535 40 0 biogenic,in-vitro IHABRN O=C(CCc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1 ZINC000067896402 291374574 /nfs/dbraw/zinc/37/45/74/291374574.db2.gz XQHZVRPOGZBIHE-SHQCIBLASA-N 0 0 444.531 3.719 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(c2ncccn2)C1 ZINC000004236252 291375380 /nfs/dbraw/zinc/37/53/80/291375380.db2.gz MVWZVQKPTSCHOX-LSDHHAIUSA-N 0 0 436.903 3.559 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 ZINC000072321416 291375778 /nfs/dbraw/zinc/37/57/78/291375778.db2.gz 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556534680 /nfs/dbraw/zinc/53/46/80/556534680.db2.gz BSVYXHNLUHFCEC-QGZVFWFLSA-N 0 0 432.542 3.582 40 0 IHABRN O=C(NCCSCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032341484 556537815 /nfs/dbraw/zinc/53/78/15/556537815.db2.gz XAMBAJGJRCJMBR-UHFFFAOYSA-N 0 0 439.002 3.788 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(F)cc2)cc1 ZINC000013647104 556544236 /nfs/dbraw/zinc/54/42/36/556544236.db2.gz AQOLIWUCCKZXEM-UHFFFAOYSA-N 0 0 440.496 3.619 40 0 IHABRN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2Cl)c1 ZINC000013669083 556549758 /nfs/dbraw/zinc/54/97/58/556549758.db2.gz XKUKWFFQBMQUSG-UHFFFAOYSA-N 0 0 435.977 3.665 40 0 IHABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000013671642 556552370 /nfs/dbraw/zinc/55/23/70/556552370.db2.gz FELKLYFCGPKZCZ-QGZVFWFLSA-N 0 0 432.542 3.582 40 0 IHABRN CCOc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000013672044 556552635 /nfs/dbraw/zinc/55/26/35/556552635.db2.gz ZKAGVCMDUWGIPX-UHFFFAOYSA-N 0 0 430.570 3.541 40 0 IHABRN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013676798 556554437 /nfs/dbraw/zinc/55/44/37/556554437.db2.gz CETSQYKGJZMTBM-UHFFFAOYSA-N 0 0 441.380 3.852 40 0 IHABRN COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C(=O)NC(C)C ZINC000013678591 556555393 /nfs/dbraw/zinc/55/53/93/556555393.db2.gz ZRQULOSDUGNZOZ-UHFFFAOYSA-N 0 0 442.990 3.557 40 0 IHABRN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5ON=C(c6ccccc6Cl)[C@@H]54)[C@@H]3C2=O)cc1 ZINC000033821741 556568160 /nfs/dbraw/zinc/56/81/60/556568160.db2.gz OCLBEOGWDVALDN-ZAERQUEXSA-N 0 0 434.879 3.717 40 0 IHABRN CCc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 ZINC000016162462 556586723 /nfs/dbraw/zinc/58/67/23/556586723.db2.gz JBVLVFSDJOWSOS-UHFFFAOYSA-N 0 0 425.348 3.661 40 0 IHABRN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccco5)c(=O)n42)c2ccccc2CC3)c1 ZINC000016227998 556593301 /nfs/dbraw/zinc/59/33/01/556593301.db2.gz CQMLRFPMFZSUHN-NLZIUFDSSA-N 0 0 440.524 3.920 40 0 IHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000016293314 556598486 /nfs/dbraw/zinc/59/84/86/556598486.db2.gz ZOECZLSXYCIRKT-UHFFFAOYSA-N 0 0 436.533 3.760 40 0 IHABRN CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1[C@@H](C)Oc1ccccc1 ZINC000036631395 556599195 /nfs/dbraw/zinc/59/91/95/556599195.db2.gz PYPIPRXAGLEMRV-CQSZACIVSA-N 0 0 426.498 3.898 40 0 IHABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C(N)=O)cc3)c2)cc1 ZINC000038752905 556616164 /nfs/dbraw/zinc/61/61/64/556616164.db2.gz MEDCXCOGPGFQFL-UHFFFAOYSA-N 0 0 443.912 3.800 40 0 IHABRN COc1cccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000038754473 556616908 /nfs/dbraw/zinc/61/69/08/556616908.db2.gz UWUZVCCFLCGMLT-DEOSSOPVSA-N 0 0 438.549 3.675 40 0 IHABRN COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)c(Cl)c1Cl ZINC000038755848 556617857 /nfs/dbraw/zinc/61/78/57/556617857.db2.gz JHZXUSLABGZPGF-UHFFFAOYSA-N 0 0 426.325 3.975 40 0 IHABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038849428 556624027 /nfs/dbraw/zinc/62/40/27/556624027.db2.gz 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COCc1nn2c(nnc(C(=O)Nc3ccccc3)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000040372632 556635397 /nfs/dbraw/zinc/63/53/97/556635397.db2.gz WNGSXKFLRQSQRI-UHFFFAOYSA-N 0 0 433.468 3.516 40 0 IHABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 ZINC000040390441 556636921 /nfs/dbraw/zinc/63/69/21/556636921.db2.gz ZNCCGRRQANXUNU-MSOLQXFVSA-N 0 0 437.544 3.727 40 0 IHABRN O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccccc1Cl ZINC000040396648 556639256 /nfs/dbraw/zinc/63/92/56/556639256.db2.gz ATWYJMSCNWRXOR-UHFFFAOYSA-N 0 0 433.830 3.888 40 0 IHABRN COc1ccc(Cn2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)cc1OC ZINC000040398013 556640141 /nfs/dbraw/zinc/64/01/41/556640141.db2.gz WDBUMZYQSDLODR-UHFFFAOYSA-N 0 0 447.882 3.825 40 0 IHABRN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399208 556641428 /nfs/dbraw/zinc/64/14/28/556641428.db2.gz FHIWVNCZLQGCPD-LBPRGKRZSA-N 0 0 444.278 3.885 40 0 IHABRN Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c1 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557500514 /nfs/dbraw/zinc/50/05/14/557500514.db2.gz MOVRIEHXDRPPPR-QFIPXVFZSA-N 0 0 426.557 3.839 40 0 IHABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)cc1 ZINC000019633187 557502395 /nfs/dbraw/zinc/50/23/95/557502395.db2.gz HXEBDMKGBNOPKE-UHFFFAOYSA-N 0 0 441.294 3.520 40 0 IHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223722440 557506199 /nfs/dbraw/zinc/50/61/99/557506199.db2.gz XCABELUSKZECDW-MRXNPFEDSA-N 0 0 430.932 3.597 40 0 IHABRN CC[C@@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223727667 557506562 /nfs/dbraw/zinc/50/65/62/557506562.db2.gz AUSQDCKEXGVJGK-HXUWFJFHSA-N 0 0 432.586 3.962 40 0 IHABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000223731303 557506935 /nfs/dbraw/zinc/50/69/35/557506935.db2.gz GAFOMYVCDSFINH-VXKWHMMOSA-N 0 0 438.528 3.937 40 0 IHABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000223731242 557506943 /nfs/dbraw/zinc/50/69/43/557506943.db2.gz CMPNZPYEKOOWGT-FGZHOGPDSA-N 0 0 438.528 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446.459 3.816 40 0 IHABRN COc1c(C)cccc1C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000032126316 569584174 /nfs/dbraw/zinc/58/41/74/569584174.db2.gz UOVGSJHLDZUACH-UHFFFAOYSA-N 0 0 442.566 3.577 40 0 IHABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2cccc(C)n2)n1 ZINC000585293311 569584890 /nfs/dbraw/zinc/58/48/90/569584890.db2.gz ZNDKBXAUHZAYFG-IWGBCORSSA-N 0 0 445.571 4.349 40 0 IHABRN CC1=C[C@@H](CNS(=O)(=O)Cc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 ZINC000030881500 291366154 /nfs/dbraw/zinc/36/61/54/291366154.db2.gz MLLZWBSZKXPYSZ-VABKMULXSA-N 0 0 432.630 3.973 40 0 biogenic,in-vitro IHABRN CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)N1CCOCC1 ZINC000005415257 291367661 /nfs/dbraw/zinc/36/76/61/291367661.db2.gz OXHRNKCICTUJLT-HOTGVXAUSA-N 0 0 427.467 3.834 40 0 biogenic,in-vitro IHABRN CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCc1ccc(OC)cc1 ZINC000005434168 291367674 /nfs/dbraw/zinc/36/76/74/291367674.db2.gz SOMABHZBHGAJQN-ROUUACIJSA-N 0 0 429.948 3.938 40 0 biogenic,in-vitro IHABRN COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4ccc5ccccc5n4)C[C@H]3F)nc2c1 ZINC000096112387 291368350 /nfs/dbraw/zinc/36/83/50/291368350.db2.gz QDIIZZIBGAYTCZ-GCJKJVERSA-N 0 0 434.471 3.637 40 0 biogenic,in-vitro IHABRN COc1cc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC ZINC000001649870 291369105 /nfs/dbraw/zinc/36/91/05/291369105.db2.gz SHRSLVWLFNSTLK-UHFFFAOYSA-N 0 0 432.425 3.520 40 0 biogenic,in-vitro IHABRN COc1cc([C@@H]2OC[C@@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000013660259 291369927 /nfs/dbraw/zinc/36/99/27/291369927.db2.gz HRLFUIXSXUASEX-NLZGTENKSA-N 0 0 446.496 3.813 40 0 biogenic,in-vitro IHABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000225431543 291370480 /nfs/dbraw/zinc/37/04/80/291370480.db2.gz JMDFUUYLHAUWLK-HNNXBMFYSA-N 0 0 425.460 3.505 40 0 biogenic,in-vitro IHABRN COc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1 ZINC000008635428 291370884 /nfs/dbraw/zinc/37/08/84/291370884.db2.gz VHAWEYSFNRAKFC-NSHGMRRFSA-N 0 0 436.581 3.765 40 0 biogenic,in-vitro IHABRN O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12)NC1CCCCC1 ZINC000008296768 291374918 /nfs/dbraw/zinc/37/49/18/291374918.db2.gz POCNPHOCWIFVMR-PMACEKPBSA-N 0 0 438.553 3.582 40 0 biogenic,in-vitro IHABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)C1CCCCC1 ZINC000067896505 291375382 /nfs/dbraw/zinc/37/53/82/291375382.db2.gz RPERIJMRKZQIIB-ISKFKSNPSA-N 0 0 440.515 3.806 40 0 biogenic,in-vitro IHABRN Cc1cc2cc(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000006194729 193890306 /nfs/dbraw/zinc/89/03/06/193890306.db2.gz YRMRILJNNVHHOG-NRFANRHFSA-N 0 0 436.581 3.596 40 0 IHABRN CCNC(=S)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006194058 193890337 /nfs/dbraw/zinc/89/03/37/193890337.db2.gz HBTRLIUROOZFBZ-UHFFFAOYSA-N 0 0 437.565 3.547 40 0 IHABRN Cc1c(C(=O)N2CC[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cnn1C ZINC000019761429 193913549 /nfs/dbraw/zinc/91/35/49/193913549.db2.gz IUFQIZJZWOFCOM-OAHLLOKOSA-N 0 0 446.536 3.615 40 0 IHABRN Cc1nc([C@H]2CCCCN2C(=O)c2ccccn2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764941 193917405 /nfs/dbraw/zinc/91/74/05/193917405.db2.gz YXVCYESVFJKZQH-OAQYLSRUSA-N 0 0 433.487 3.617 40 0 IHABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223268974 193959937 /nfs/dbraw/zinc/95/99/37/193959937.db2.gz MQHBWFCSEWBAMA-DNQXCXABSA-N 0 0 438.568 3.730 40 0 IHABRN CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 ZINC000223278345 193961602 /nfs/dbraw/zinc/96/16/02/193961602.db2.gz XSFJJBNZXCRDMU-OAHLLOKOSA-N 0 0 442.632 3.840 40 0 IHABRN C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000223284693 193962599 /nfs/dbraw/zinc/96/25/99/193962599.db2.gz FSAVXTXNYWPRMQ-RTWAWAEBSA-N 0 0 436.537 3.574 40 0 IHABRN CCc1ccc(N(CCCC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 ZINC000223339619 193968384 /nfs/dbraw/zinc/96/83/84/193968384.db2.gz BFEOCRBZXXMQHE-UHFFFAOYSA-N 0 0 442.632 3.786 40 0 IHABRN CC(C)C(NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)C(C)C ZINC000010009335 132333870 /nfs/dbraw/zinc/33/38/70/132333870.db2.gz CKAKGCZNDFOWRS-OAQYLSRUSA-N 0 0 430.570 3.581 40 0 IHABRN Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013504745 132348392 /nfs/dbraw/zinc/34/83/92/132348392.db2.gz BNQLRUKIPUXWAL-DEOSSOPVSA-N 0 0 446.505 3.911 40 0 IHABRN Cc1cccc(N2CCN([C@@H](c3nnnn3Cc3ccco3)c3ccccc3F)CC2)c1C ZINC000013505100 132348558 /nfs/dbraw/zinc/34/85/58/132348558.db2.gz WRAKAULFJSFRFA-XMMPIXPASA-N 0 0 446.530 3.982 40 0 IHABRN Fc1ccccc1N1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccccc2)CC1 ZINC000013505442 132348873 /nfs/dbraw/zinc/34/88/73/132348873.db2.gz RLMXACLWFKZHPN-RUZDIDTESA-N 0 0 442.542 3.967 40 0 IHABRN O=C(NC1CCCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013678704 132353077 /nfs/dbraw/zinc/35/30/77/132353077.db2.gz XWHOJJHICTXDRC-QFIPXVFZSA-N 0 0 428.554 3.623 40 0 IHABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1csnn1 ZINC000012871703 518746027 /nfs/dbraw/zinc/74/60/27/518746027.db2.gz CYJPIQHIXYSQAB-LJQANCHMSA-N 0 0 426.517 3.976 40 0 IHABRN CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3Cl)[C@H](O)[C@H]2[C@@H]1C ZINC000020466068 519701198 /nfs/dbraw/zinc/70/11/98/519701198.db2.gz BZEFESROWBFQRN-DSSJMDOMSA-N 0 0 435.008 3.920 40 0 biogenic,in-vitro IHABRN CC(C)n1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccsc3)c3cccnc3)ccc21 ZINC000012228795 519919871 /nfs/dbraw/zinc/91/98/71/519919871.db2.gz IXEGGYFUJLIOCK-GOSISDBHSA-N 0 0 443.550 3.894 40 0 IHABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000022268609 520211595 /nfs/dbraw/zinc/21/15/95/520211595.db2.gz IMJXKWLQSKFYOC-OAQYLSRUSA-N 0 0 432.586 3.590 40 0 IHABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OC)c(O)c2)[C@H](C(=O)OCC)C1=O ZINC000020675914 520600622 /nfs/dbraw/zinc/60/06/22/520600622.db2.gz DYSGZBWSUQPSFT-SFTDATJTSA-N 0 0 437.496 3.666 40 0 IHABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccccc1Cl ZINC000022248483 520783438 /nfs/dbraw/zinc/78/34/38/520783438.db2.gz LZBSNMIHZQEVAS-UHFFFAOYSA-N 0 0 445.368 3.719 40 0 IHABRN CCOc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 ZINC000022333365 521023191 /nfs/dbraw/zinc/02/31/91/521023191.db2.gz SIPMFVPXERAWHI-HXUWFJFHSA-N 0 0 446.569 3.578 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1Cl ZINC000016692607 521184932 /nfs/dbraw/zinc/18/49/32/521184932.db2.gz PACFAOLYSIGAFX-UHFFFAOYSA-N 0 0 447.340 3.660 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000016692261 521185060 /nfs/dbraw/zinc/18/50/60/521185060.db2.gz SEMKTQPXTTWLBD-UHFFFAOYSA-N 0 0 431.341 3.960 40 0 IHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1Cl ZINC000022269292 521205857 /nfs/dbraw/zinc/20/58/57/521205857.db2.gz WBVNQXFYCATIST-SFHVURJKSA-N 0 0 438.977 3.543 40 0 IHABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1cccnc1)C(=O)c1csnn1 ZINC000012874729 521337428 /nfs/dbraw/zinc/33/74/28/521337428.db2.gz SDCUCWRNYTWPEO-LJQANCHMSA-N 0 0 441.532 3.761 40 0 IHABRN CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 ZINC000022525339 521357036 /nfs/dbraw/zinc/35/70/36/521357036.db2.gz ABPJFSCGHXLUSL-UHFFFAOYSA-N 0 0 436.961 3.843 40 0 IHABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000022395839 521471943 /nfs/dbraw/zinc/47/19/43/521471943.db2.gz GCMMYJVTSREWJU-UHFFFAOYSA-N 0 0 432.542 3.502 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(Cl)c1 ZINC000020491034 521492534 /nfs/dbraw/zinc/49/25/34/521492534.db2.gz RZEXUYCLKPTBNB-UHFFFAOYSA-N 0 0 445.324 3.575 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000022029358 521494198 /nfs/dbraw/zinc/49/41/98/521494198.db2.gz JGLXGFNCZVGRFY-UHFFFAOYSA-N 0 0 446.459 3.911 40 0 IHABRN CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3ccccc3OCC)cc(=O)c2c1 ZINC000041077337 521531617 /nfs/dbraw/zinc/53/16/17/521531617.db2.gz REULIZJAKZANJH-UHFFFAOYSA-N 0 0 440.521 3.975 40 0 IHABRN CCCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1cccnc1 ZINC000035288850 521633900 /nfs/dbraw/zinc/63/39/00/521633900.db2.gz XRFZJEAGUQHCPR-UHFFFAOYSA-N 0 0 437.554 3.999 40 0 IHABRN CCS(=O)(=O)N1CCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000012230344 521664268 /nfs/dbraw/zinc/66/42/68/521664268.db2.gz AYJYPOLDNZRHNJ-ZDUSSCGKSA-N 0 0 430.477 3.963 40 0 IHABRN CCc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21)S(C)(=O)=O ZINC000022330010 521850601 /nfs/dbraw/zinc/85/06/01/521850601.db2.gz BRUAKADZQVXMIT-LJQANCHMSA-N 0 0 430.570 3.742 40 0 IHABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F ZINC000020492500 521958078 /nfs/dbraw/zinc/95/80/78/521958078.db2.gz PVAVEUHAVCBMAO-UHFFFAOYSA-N 0 0 443.500 3.870 40 0 IHABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000022029354 522090851 /nfs/dbraw/zinc/09/08/51/522090851.db2.gz FMGFOCLJGSAONX-UHFFFAOYSA-N 0 0 432.432 3.521 40 0 IHABRN COC(=O)c1ccc(N[C@@H]2SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000012136833 522131766 /nfs/dbraw/zinc/13/17/66/522131766.db2.gz UKQUQOUXLIKIDO-OAHLLOKOSA-N 0 0 435.299 3.869 40 0 IHABRN COC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000022381647 522271384 /nfs/dbraw/zinc/27/13/84/522271384.db2.gz UNOMOIVWSFNOJB-UHFFFAOYSA-N 0 0 448.497 3.508 40 0 IHABRN COc1cc(CCC(=O)Nc2c(C)c(C)c3c(c2C)NC(=O)CO3)cc(OC)c1OC ZINC000012372278 522327852 /nfs/dbraw/zinc/32/78/52/522327852.db2.gz VSIXMOORJJANLF-UHFFFAOYSA-N 0 0 428.485 3.540 40 0 biogenic,in-vitro IHABRN CN(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C[C@H]3CCCCO3)cc2)n1 ZINC000012222397 522339380 /nfs/dbraw/zinc/33/93/80/522339380.db2.gz ZBBLEYDKFJJTLQ-OAQYLSRUSA-N 0 0 431.540 3.847 40 0 IHABRN COC(=O)c1sc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)nc1C ZINC000012833685 522425486 /nfs/dbraw/zinc/42/54/86/522425486.db2.gz GRNHZUFSYKYJJG-UHFFFAOYSA-N 0 0 434.568 3.852 40 0 IHABRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022336129 522680767 /nfs/dbraw/zinc/68/07/67/522680767.db2.gz MPJSQRIHFVWVSJ-GOSISDBHSA-N 0 0 438.977 3.999 40 0 IHABRN CN(CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 ZINC000014597783 522770136 /nfs/dbraw/zinc/77/01/36/522770136.db2.gz XCVFBLIQAQLKCT-UHFFFAOYSA-N 0 0 429.586 3.508 40 0 IHABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000020455607 522895194 /nfs/dbraw/zinc/89/51/94/522895194.db2.gz KLADEFAPBDOQJQ-IBGZPJMESA-N 0 0 446.569 3.974 40 0 IHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 ZINC000012241583 523052578 /nfs/dbraw/zinc/05/25/78/523052578.db2.gz OEYMSKFHSOWSAW-JOCHJYFZSA-N 0 0 448.523 3.816 40 0 IHABRN COc1ccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)NCc4ccc(C)cc4)cc23)cc1 ZINC000021867759 523272621 /nfs/dbraw/zinc/27/26/21/523272621.db2.gz QSYZKHYPZCCAIQ-UHFFFAOYSA-N 0 0 439.475 3.897 40 0 IHABRN CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 ZINC000012159494 523442897 /nfs/dbraw/zinc/44/28/97/523442897.db2.gz HMTXHWLSTJICPR-FQEVSTJZSA-N 0 0 430.530 3.873 40 0 IHABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)cc2N1 ZINC000012183558 523564452 /nfs/dbraw/zinc/56/44/52/523564452.db2.gz PTOWHMPXRJYFHI-JFIYKMOQSA-N 0 0 438.498 3.800 40 0 IHABRN CC[C@H](C(=O)N(C)Cc1ccc(OC)c(OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020460440 523752176 /nfs/dbraw/zinc/75/21/76/523752176.db2.gz BZKACXFAPDZDPV-HXUWFJFHSA-N 0 0 448.585 3.524 40 0 IHABRN COc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1 ZINC000019755550 523893569 /nfs/dbraw/zinc/89/35/69/523893569.db2.gz AIVPKZGXTCQZHF-QFIPXVFZSA-N 0 0 430.508 3.952 40 0 IHABRN CCc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccn2)cc1 ZINC000012869579 523956965 /nfs/dbraw/zinc/95/69/65/523956965.db2.gz HRHBNMPOTRKMRM-NRFANRHFSA-N 0 0 435.553 3.942 40 0 IHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O ZINC000022390673 524000996 /nfs/dbraw/zinc/00/09/96/524000996.db2.gz OTKRZJWVEAKODW-SFHVURJKSA-N 0 0 445.585 3.545 40 0 IHABRN CCc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)cc1 ZINC000012872955 524019179 /nfs/dbraw/zinc/01/91/79/524019179.db2.gz MDBFZCDJFREKNQ-NRFANRHFSA-N 0 0 438.528 3.902 40 0 IHABRN 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CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000014870019 556452054 /nfs/dbraw/zinc/45/20/54/556452054.db2.gz PLXZJJCDTMTEME-UHFFFAOYSA-N 0 0 436.961 3.956 40 0 IHABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000029379588 556473957 /nfs/dbraw/zinc/47/39/57/556473957.db2.gz UKYPXQQPEYWSNK-UHFFFAOYSA-N 0 0 447.944 3.504 40 0 IHABRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1S(N)(=O)=O ZINC000029600077 556478811 /nfs/dbraw/zinc/47/88/11/556478811.db2.gz HKEWHNUUOMTDLC-UHFFFAOYSA-N 0 0 442.337 3.633 40 0 IHABRN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 ZINC000013225328 556498957 /nfs/dbraw/zinc/49/89/57/556498957.db2.gz AYDQLYCTNOLLQQ-DLBZAZTESA-N 0 0 437.519 3.643 40 0 IHABRN Cc1c(-c2cc(C(=O)N3CCC[C@@H]([C@@H]4CC(=O)c5cc(C)ccc5O4)C3)no2)cnn1C ZINC000013227499 556500118 /nfs/dbraw/zinc/50/01/18/556500118.db2.gz DZHNAVJTGGCEGS-ZHRRBRCNSA-N 0 0 434.496 3.578 40 0 IHABRN C[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 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COc1ccc(OC)c(N2C(SCc3ccc(C)c(C)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032641082 556546020 /nfs/dbraw/zinc/54/60/20/556546020.db2.gz LZEJGOPQVWPHPR-ICSRJNTNSA-N 0 0 446.594 3.596 40 0 IHABRN COc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000013669527 556550374 /nfs/dbraw/zinc/55/03/74/556550374.db2.gz PANDRYUTGNTQHN-UHFFFAOYSA-N 0 0 440.521 3.562 40 0 IHABRN CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000013669740 556550767 /nfs/dbraw/zinc/55/07/67/556550767.db2.gz KVPNESXFFMMYAF-UHFFFAOYSA-N 0 0 436.533 3.870 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1c2ccccc2C[C@H]1C ZINC000013670102 556550983 /nfs/dbraw/zinc/55/09/83/556550983.db2.gz XZVKLLKIPMAYNC-QGZVFWFLSA-N 0 0 428.554 3.707 40 0 IHABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000013671097 556552089 /nfs/dbraw/zinc/55/20/89/556552089.db2.gz CEWRQELLOZDYJO-KRWDZBQOSA-N 0 0 432.542 3.582 40 0 IHABRN CCOC(=O)c1c(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)sc2c1CCCC2 ZINC000013681209 556556778 /nfs/dbraw/zinc/55/67/78/556556778.db2.gz FGODGZXGHPMCHX-UHFFFAOYSA-N 0 0 436.555 3.736 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000016429010 556607006 /nfs/dbraw/zinc/60/70/06/556607006.db2.gz UNWVDIWLAKMXOQ-UHFFFAOYSA-N 0 0 426.897 3.718 40 0 IHABRN O=C(NCCc1ccccc1)NC[C@@H]1CCC[C@H](CNC(=O)NCCc2ccccc2)C1 ZINC000016479280 556611163 /nfs/dbraw/zinc/61/11/63/556611163.db2.gz WMFJXRDYGRRLCB-PSWAGMNNSA-N 0 0 436.600 3.877 40 0 IHABRN O=C(C[C@H](NC(=O)NC1CCCCC1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000016480225 556611400 /nfs/dbraw/zinc/61/14/00/556611400.db2.gz ROPWVJZLQNHKMZ-QFIPXVFZSA-N 0 0 438.524 3.864 40 0 IHABRN CN(C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)C1CCCCC1 ZINC000038752457 556615874 /nfs/dbraw/zinc/61/58/74/556615874.db2.gz BOICXJZBTOYNSC-UHFFFAOYSA-N 0 0 430.570 3.823 40 0 IHABRN CCOC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H](OC(=O)Cc1ccccc1)c1ccccc1 ZINC000016682157 556624592 /nfs/dbraw/zinc/62/45/92/556624592.db2.gz QIKMZCUNAXHQOA-IZZNHLLZSA-N 0 0 445.515 3.804 40 0 IHABRN C[C@@]1(O)CCN(Cc2ccncc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288782 556624990 /nfs/dbraw/zinc/62/49/90/556624990.db2.gz BONIRQFXSVYYFY-QNWVGRARSA-N 0 0 425.529 3.779 40 0 biogenic,in-vitro IHABRN CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000039986334 556633044 /nfs/dbraw/zinc/63/30/44/556633044.db2.gz SMRYESOBALUQDU-UHFFFAOYSA-N 0 0 434.411 3.502 40 0 IHABRN Cc1ccccc1N1C(=S)N(c2cccc(Br)c2)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000016740623 556634637 /nfs/dbraw/zinc/63/46/37/556634637.db2.gz YFFLHTQEMBOLBK-IRXDYDNUSA-N 0 0 437.384 3.535 40 0 IHABRN Cc1ccccc1N1C(=S)N(c2cccc(Br)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000016740622 556634674 /nfs/dbraw/zinc/63/46/74/556634674.db2.gz YFFLHTQEMBOLBK-DLBZAZTESA-N 0 0 437.384 3.535 40 0 IHABRN COCc1nn2c(nnc(C(=O)Nc3cccc(OC)c3)c2C)c1-c1ccc(OC)cc1 ZINC000040372589 556635245 /nfs/dbraw/zinc/63/52/45/556635245.db2.gz YGFSLVTXTWGMSL-UHFFFAOYSA-N 0 0 433.468 3.516 40 0 IHABRN CCN1CCN(C(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)CC1 ZINC000040385113 556635744 /nfs/dbraw/zinc/63/57/44/556635744.db2.gz KHIADGVTOAICFS-UHFFFAOYSA-N 0 0 426.952 3.654 40 0 IHABRN CCc1nn2c(nnc3c2ccn(Cc2ccc(OC)c(OC)c2)c3=O)c1-c1ccccc1 ZINC000040388341 556636295 /nfs/dbraw/zinc/63/62/95/556636295.db2.gz NMPRMGPBZKNWKL-UHFFFAOYSA-N 0 0 441.491 3.734 40 0 IHABRN COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000040398560 556640260 /nfs/dbraw/zinc/64/02/60/556640260.db2.gz OCDQKJRXORHFFW-UHFFFAOYSA-N 0 0 429.455 3.805 40 0 IHABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399204 556641521 /nfs/dbraw/zinc/64/15/21/556641521.db2.gz ZNMCYYQUPSBATN-CQSZACIVSA-N 0 0 444.278 3.885 40 0 IHABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399243 556641734 /nfs/dbraw/zinc/64/17/34/556641734.db2.gz YROJYHXGBHAHQB-LBPRGKRZSA-N 0 0 444.278 3.885 40 0 IHABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc1C ZINC000040399346 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Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000035312568 525981165 /nfs/dbraw/zinc/98/11/65/525981165.db2.gz BWHHASODGKERAT-ILBGXUMGSA-N 0 0 446.599 3.689 40 0 IHABRN Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 ZINC000019122789 526045367 /nfs/dbraw/zinc/04/53/67/526045367.db2.gz YULLLTOZTHMWHI-JXFKEZNVSA-N 0 0 439.560 3.561 40 0 IHABRN O=c1cc2[nH]cnc(Nc3ccc(F)c(Cl)c3)c-2cc1OCCCN1CCOCC1 ZINC000022056257 526338200 /nfs/dbraw/zinc/33/82/00/526338200.db2.gz IFMMYZUUCFPEHR-UHFFFAOYSA-N 0 0 432.883 3.973 40 0 in-vitro IHABRN c1csc(-c2nc(NCc3cccnc3)ncc2-c2ccnc(N3CCOCC3)n2)c1 ZINC000012666836 526576022 /nfs/dbraw/zinc/57/60/22/526576022.db2.gz BZHKZORHSNLFHG-UHFFFAOYSA-N 0 0 431.525 3.506 40 0 IHABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 ZINC000022378113 526703844 /nfs/dbraw/zinc/70/38/44/526703844.db2.gz JNFVLHIPLRUCPC-UHFFFAOYSA-N 0 0 430.476 3.519 40 0 IHABRN O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000035895277 526797104 /nfs/dbraw/zinc/79/71/04/526797104.db2.gz CZLNOORALBDGNW-NWGLXNPWSA-N 0 0 429.303 3.829 40 0 IHABRN Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)NC4CCCC4)C3)c(=O)c2c1C ZINC000012184144 526889219 /nfs/dbraw/zinc/88/92/19/526889219.db2.gz GFNHPCXODPWMHA-GOSISDBHSA-N 0 0 430.618 3.894 40 0 IHABRN Cc1sc2ncn(CC3(O)CCN(Cc4ccc(Cl)c(F)c4)CC3)c(=O)c2c1C ZINC000012188595 526897110 /nfs/dbraw/zinc/89/71/10/526897110.db2.gz HJDWITOZFYEKRY-UHFFFAOYSA-N 0 0 435.952 3.894 40 0 IHABRN O=C(CSc1nnc(NC(=O)c2ccc(F)cc2F)s1)N1CCc2ccccc21 ZINC000035311582 527086561 /nfs/dbraw/zinc/08/65/61/527086561.db2.gz DKZDCHALPOHRSO-UHFFFAOYSA-N 0 0 432.477 3.750 40 0 IHABRN O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 ZINC000012891570 527417778 /nfs/dbraw/zinc/41/77/78/527417778.db2.gz JKCDUQKQKPKOSA-ILSIFQBBSA-N 0 0 447.922 3.785 40 0 IHABRN O=C(NC1CCCC1)[C@@H](c1cccnc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012872135 527507731 /nfs/dbraw/zinc/50/77/31/527507731.db2.gz KGDHFLMHKSMFFP-HXUWFJFHSA-N 0 0 439.516 3.515 40 0 IHABRN O=C(NC1CCCC1)[C@H](c1ccccn1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012872041 527509394 /nfs/dbraw/zinc/50/93/94/527509394.db2.gz HFUAOBIDTVHRSS-FQEVSTJZSA-N 0 0 439.516 3.515 40 0 IHABRN O=C(NC1CCCCC1)[C@H](c1cccnc1)N(CCc1ccccc1)C(=O)c1csnn1 ZINC000012872593 527515291 /nfs/dbraw/zinc/51/52/91/527515291.db2.gz OXXJIDCYAAHGAZ-QFIPXVFZSA-N 0 0 449.580 3.808 40 0 IHABRN Cc1ccc(S(=O)(=O)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000000923283 555584934 /nfs/dbraw/zinc/58/49/34/555584934.db2.gz DWCNPMOVOBEOTQ-HXUWFJFHSA-N 0 0 440.565 3.823 40 0 IHABRN Cc1c(C)n([C@H](C)c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n12 ZINC000010104173 555691511 /nfs/dbraw/zinc/69/15/11/555691511.db2.gz NGLZWZVSWDQKJX-QGZVFWFLSA-N 0 0 445.498 3.563 40 0 IHABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000408526820 555715973 /nfs/dbraw/zinc/71/59/73/555715973.db2.gz CMWBGDXSLGHBIL-UHFFFAOYSA-N 0 0 442.459 3.816 40 0 IHABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408536109 555759028 /nfs/dbraw/zinc/75/90/28/555759028.db2.gz YEAJNPZQKBVMIE-UHFFFAOYSA-N 0 0 444.484 3.961 40 0 IHABRN COc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc(OC)c1OC(C)=O ZINC000002308367 555767618 /nfs/dbraw/zinc/76/76/18/555767618.db2.gz CFWMQJMQYBHVTR-OVCLIPMQSA-N 0 0 446.253 3.736 40 0 IHABRN CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cc(Br)ccc1O ZINC000408542106 555790184 /nfs/dbraw/zinc/79/01/84/555790184.db2.gz GSMKBZNRGNPOHF-UHFFFAOYSA-N 0 0 449.330 3.870 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cc1C ZINC000408554066 555891567 /nfs/dbraw/zinc/89/15/67/555891567.db2.gz BJHATQZYCWTHPA-FQEVSTJZSA-N 0 0 434.602 3.801 40 0 IHABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)c(C)c1 ZINC000408555921 555893025 /nfs/dbraw/zinc/89/30/25/555893025.db2.gz XQPADAYRPMOLHZ-LJQANCHMSA-N 0 0 434.989 3.982 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3OC)C2)cc1C ZINC000408556445 555893863 /nfs/dbraw/zinc/89/38/63/555893863.db2.gz CPUVLMHRPZPAET-GOSISDBHSA-N 0 0 446.569 3.750 40 0 IHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000408556490 555894286 /nfs/dbraw/zinc/89/42/86/555894286.db2.gz IZDBWVDJGVJJSS-UHFFFAOYSA-N 0 0 430.448 3.801 40 0 IHABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1c2nsnc2ccc1C ZINC000408573156 555923091 /nfs/dbraw/zinc/92/30/91/555923091.db2.gz MJSBVWRGQBGOEQ-UHFFFAOYSA-N 0 0 437.344 3.898 40 0 IHABRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408583546 555930160 /nfs/dbraw/zinc/93/01/60/555930160.db2.gz IGENYXAGCPKCSC-HNNXBMFYSA-N 0 0 442.924 3.877 40 0 IHABRN Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)NCC(C)C ZINC000408585219 555935627 /nfs/dbraw/zinc/93/56/27/555935627.db2.gz XUTGQRAMTNILLB-UHFFFAOYSA-N 0 0 425.348 3.944 40 0 IHABRN O=C(N[C@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1 ZINC000003798924 555946649 /nfs/dbraw/zinc/94/66/49/555946649.db2.gz WKJDXKWFGJWGAS-XMMPIXPASA-N 0 0 438.462 3.803 40 0 in-man IHABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)N1CCc2ccccc2C1 ZINC000408593700 555959806 /nfs/dbraw/zinc/95/98/06/555959806.db2.gz NVFHNWWGAXJPGL-UHFFFAOYSA-N 0 0 448.972 3.525 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000408593931 555960237 /nfs/dbraw/zinc/96/02/37/555960237.db2.gz QRENDEJQRAEHHB-UHFFFAOYSA-N 0 0 444.887 3.666 40 0 IHABRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408596102 555962805 /nfs/dbraw/zinc/96/28/05/555962805.db2.gz REFBGWABGRSCPV-MRXNPFEDSA-N 0 0 429.369 3.798 40 0 IHABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 ZINC000408605179 555965800 /nfs/dbraw/zinc/96/58/00/555965800.db2.gz MWGKTTDNVPHZKG-UHFFFAOYSA-N 0 0 430.457 3.653 40 0 IHABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)c1 ZINC000408611501 555976919 /nfs/dbraw/zinc/97/69/19/555976919.db2.gz XERLGOGMXKZVFT-UHFFFAOYSA-N 0 0 448.447 3.792 40 0 IHABRN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)N1CCCC1 ZINC000408611536 555977028 /nfs/dbraw/zinc/97/70/28/555977028.db2.gz XJFDEPQLLMEQQF-UHFFFAOYSA-N 0 0 441.322 3.933 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408613168 555978406 /nfs/dbraw/zinc/97/84/06/555978406.db2.gz ZNJQHBBGBLYQFT-SECBINFHSA-N 0 0 437.732 3.961 40 0 IHABRN CC(C)Oc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000408611148 555981194 /nfs/dbraw/zinc/98/11/94/555981194.db2.gz SDOTXHPLTZDDIP-UHFFFAOYSA-N 0 0 430.448 3.897 40 0 IHABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408614257 555984675 /nfs/dbraw/zinc/98/46/75/555984675.db2.gz AFNYYXKDNWJASC-CQSZACIVSA-N 0 0 433.430 3.837 40 0 IHABRN O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408614335 555984695 /nfs/dbraw/zinc/98/46/95/555984695.db2.gz BBFFJFFAOUUBKN-FQEVSTJZSA-N 0 0 445.494 3.743 40 0 IHABRN O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408614823 555985652 /nfs/dbraw/zinc/98/56/52/555985652.db2.gz ILYXXKCBTJMVDI-QGZVFWFLSA-N 0 0 449.457 3.886 40 0 IHABRN COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1I ZINC000408617507 555988337 /nfs/dbraw/zinc/98/83/37/555988337.db2.gz DAPSMYCRIGTKSP-UHFFFAOYSA-N 0 0 447.294 3.888 40 0 IHABRN CCC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408624950 555995381 /nfs/dbraw/zinc/99/53/81/555995381.db2.gz UUMGVOCGTJAWOS-MRXNPFEDSA-N 0 0 438.977 3.844 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 ZINC000408627534 555998383 /nfs/dbraw/zinc/99/83/83/555998383.db2.gz NWOKZZPSIORHBG-UHFFFAOYSA-N 0 0 436.489 3.678 40 0 IHABRN COc1ccc(CN(C)C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000408628506 555998956 /nfs/dbraw/zinc/99/89/56/555998956.db2.gz YGRLNDHUWFJPMV-UHFFFAOYSA-N 0 0 438.549 3.934 40 0 IHABRN COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408635383 556012818 /nfs/dbraw/zinc/01/28/18/556012818.db2.gz AHMLLHKFKUPKDQ-UHFFFAOYSA-N 0 0 446.569 3.974 40 0 IHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OCC)c(Cl)c1 ZINC000408635706 556013767 /nfs/dbraw/zinc/01/37/67/556013767.db2.gz HNTCJCFPEHLGIX-UHFFFAOYSA-N 0 0 440.949 3.835 40 0 IHABRN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl ZINC000408635873 556014303 /nfs/dbraw/zinc/01/43/03/556014303.db2.gz ISBQCJWABMOHEZ-AWEZNQCLSA-N 0 0 440.949 3.833 40 0 IHABRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3)CC2=O)cc1 ZINC000408638639 556015841 /nfs/dbraw/zinc/01/58/41/556015841.db2.gz CVLAHZYLUAOREN-YHYVQYDKSA-N 0 0 446.503 3.633 40 0 IHABRN O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408641801 556017963 /nfs/dbraw/zinc/01/79/63/556017963.db2.gz NBHIUEIIWFVCSK-OAHLLOKOSA-N 0 0 444.418 3.585 40 0 IHABRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1 ZINC000408642249 556018315 /nfs/dbraw/zinc/01/83/15/556018315.db2.gz DUCOXNFYQOYXPY-KDURUIRLSA-N 0 0 442.874 3.894 40 0 IHABRN CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 ZINC000408637395 556020568 /nfs/dbraw/zinc/02/05/68/556020568.db2.gz 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Cc1cc(-c2cc(=O)n(CC(=O)N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(C)s2)on1 ZINC000072337631 556910535 /nfs/dbraw/zinc/91/05/35/556910535.db2.gz GRMIRHOCFACTRF-SUMWQHHRSA-N 0 0 426.542 3.939 40 0 IHABRN Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)cc2c1 ZINC000019765664 556910673 /nfs/dbraw/zinc/91/06/73/556910673.db2.gz RQSBDSZLRMLIHF-FQEVSTJZSA-N 0 0 448.523 3.679 40 0 IHABRN COC(=O)CSC1=N[C@H](c2ccc(C)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408990885 556911382 /nfs/dbraw/zinc/91/13/82/556911382.db2.gz OSLRPGWEDVUYGF-OAQYLSRUSA-N 0 0 439.537 3.823 40 0 IHABRN COc1ccc(F)c(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)c1 ZINC000072340619 556912524 /nfs/dbraw/zinc/91/25/24/556912524.db2.gz AJHHHMSDRLJOPF-NRFANRHFSA-N 0 0 431.508 3.834 40 0 IHABRN Cc1cc2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)cc(C(F)(F)F)n2n1 ZINC000072340909 556913082 /nfs/dbraw/zinc/91/30/82/556913082.db2.gz CLAMRMKSZQVHQC-AWEZNQCLSA-N 0 0 432.402 3.805 40 0 IHABRN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)c(C)cc2Br)cc1 ZINC000408998156 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433.302 3.639 40 0 IHABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O ZINC000409008702 556919144 /nfs/dbraw/zinc/91/91/44/556919144.db2.gz AQKURFNBNJNPOJ-OOIIIRTPSA-N 0 0 429.450 3.721 40 0 IHABRN CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C3 ZINC000019816700 556919741 /nfs/dbraw/zinc/91/97/41/556919741.db2.gz QXVBSPPCZFWQKL-GFCCVEGCSA-N 0 0 428.514 3.565 40 0 IHABRN O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349696 556919753 /nfs/dbraw/zinc/91/97/53/556919753.db2.gz DWHMBVANUIZIDH-GOSISDBHSA-N 0 0 433.474 3.806 40 0 IHABRN Cc1ccn2cc(C(=O)N3CCNC(=O)[C@H]3Cc3cccc(-c4cccc(F)c4)c3)nc2c1 ZINC000072351418 556921245 /nfs/dbraw/zinc/92/12/45/556921245.db2.gz LNFVALVDWLOMNH-HSZRJFAPSA-N 0 0 442.494 3.632 40 0 IHABRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)cc3C)C2=O)cc1 ZINC000409022109 556922866 /nfs/dbraw/zinc/92/28/66/556922866.db2.gz FBLAWKLQEOHLDR-KGENOOAVSA-N 0 0 428.492 3.934 40 0 IHABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000019820404 556923846 /nfs/dbraw/zinc/92/38/46/556923846.db2.gz FXRUELOIRHGMOE-VXKWHMMOSA-N 0 0 426.476 3.747 40 0 IHABRN COc1ccc(OC)c(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)c1 ZINC000409027971 556924520 /nfs/dbraw/zinc/92/45/20/556924520.db2.gz WCDYXMXUJAEEGV-UHFFFAOYSA-N 0 0 444.484 3.677 40 0 IHABRN Cc1cc2c(cc1CN1CCc3onc(Nc4cc(F)cc(F)c4)c3C1)n(C)c(=O)n2C ZINC000072352758 556925088 /nfs/dbraw/zinc/92/50/88/556925088.db2.gz XOQFPBHHLPOMKN-UHFFFAOYSA-N 0 0 439.466 3.754 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1 ZINC000072353036 556925510 /nfs/dbraw/zinc/92/55/10/556925510.db2.gz YEXLIDVOUFBZSR-NRFANRHFSA-N 0 0 439.541 3.766 40 0 IHABRN C[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409027460 556926676 /nfs/dbraw/zinc/92/66/76/556926676.db2.gz IIVJKUNIDQMWFD-IBGZPJMESA-N 0 0 438.549 3.992 40 0 IHABRN C[C@H](C(=O)NCCc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409027463 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557416502 /nfs/dbraw/zinc/41/65/02/557416502.db2.gz ZQZGEZHMYHJKGH-QGZVFWFLSA-N 0 0 447.373 3.998 40 0 IHABRN COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)cc1 ZINC000223041039 557419946 /nfs/dbraw/zinc/41/99/46/557419946.db2.gz HCFWRNZVQZJWSP-INIZCTEOSA-N 0 0 446.569 3.806 40 0 IHABRN Cc1cc(OCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)ccc1Cl ZINC000014135989 557423014 /nfs/dbraw/zinc/42/30/14/557423014.db2.gz WEHXQTPFUQANBV-UHFFFAOYSA-N 0 0 426.900 3.724 40 0 IHABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCOC2CCCCC2)cc1 ZINC000223059716 557423248 /nfs/dbraw/zinc/42/32/48/557423248.db2.gz JFKNKHRTAKNGNH-XLNRJJMWSA-N 0 0 426.513 3.915 40 0 IHABRN CCN(CC(=O)Nc1ccc(C)cc1Br)S(=O)(=O)c1ccc(F)cc1 ZINC000223060699 557423496 /nfs/dbraw/zinc/42/34/96/557423496.db2.gz KVXIYUWRUOXDKD-UHFFFAOYSA-N 0 0 429.311 3.546 40 0 IHABRN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 ZINC000223067567 557425346 /nfs/dbraw/zinc/42/53/46/557425346.db2.gz KXOSJVYDNIUEAJ-UHFFFAOYSA-N 0 0 435.505 3.649 40 0 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O=C(CSc1noc(-c2ccc(Br)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000028527233 569410560 /nfs/dbraw/zinc/41/05/60/569410560.db2.gz DFBGRHCLIWBVOG-UHFFFAOYSA-N 0 0 434.271 3.959 40 0 IHABRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218126750 569456453 /nfs/dbraw/zinc/45/64/53/569456453.db2.gz ZRBWAJFJOXJGTB-CMKODMSKSA-N 0 0 439.986 3.597 40 0 IHABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329046116 569583301 /nfs/dbraw/zinc/58/33/01/569583301.db2.gz UAFFIHNKUVRXEY-GOSISDBHSA-N 0 0 428.334 4.474 40 0 IHABRN CC(C)[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)n1 ZINC000329072561 569583355 /nfs/dbraw/zinc/58/33/55/569583355.db2.gz ZZRZCPIMNRMQRO-IBGZPJMESA-N 0 0 442.361 4.342 40 0 IHABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329046117 569583467 /nfs/dbraw/zinc/58/34/67/569583467.db2.gz UAFFIHNKUVRXEY-SFHVURJKSA-N 0 0 428.334 4.474 40 0 IHABRN CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccccc4)C2)C3)cc1 ZINC000005437710 291364659 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IHABRN CCCOc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 ZINC000022382583 520383787 /nfs/dbraw/zinc/38/37/87/520383787.db2.gz AWMSRMAYXWGFSH-UHFFFAOYSA-N 0 0 441.347 3.643 40 0 IHABRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022246353 520536448 /nfs/dbraw/zinc/53/64/48/520536448.db2.gz WVGXISARQOFRFA-KRWDZBQOSA-N 0 0 429.369 3.751 40 0 IHABRN CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O ZINC000022253683 520664621 /nfs/dbraw/zinc/66/46/21/520664621.db2.gz PXCFVDZJGNFUBA-MRXNPFEDSA-N 0 0 434.558 3.588 40 0 IHABRN CCOc1cc(C)ccc1OCC(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 ZINC000012256474 520689590 /nfs/dbraw/zinc/68/95/90/520689590.db2.gz CZEVUPXCBUEICT-UHFFFAOYSA-N 0 0 448.523 3.736 40 0 IHABRN CCCCOC(=O)c1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000021756287 520724163 /nfs/dbraw/zinc/72/41/63/520724163.db2.gz LGTJSAADGHAIDK-UHFFFAOYSA-N 0 0 430.526 3.826 40 0 IHABRN CCOc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000041077157 520918841 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CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl ZINC000020492811 521494583 /nfs/dbraw/zinc/49/45/83/521494583.db2.gz OCISLDBMABQULJ-UHFFFAOYSA-N 0 0 445.324 3.575 40 0 IHABRN CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000020492065 521500403 /nfs/dbraw/zinc/50/04/03/521500403.db2.gz ZGAVJWFLQLHEET-UHFFFAOYSA-N 0 0 430.570 3.888 40 0 IHABRN CCOc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21)S(C)(=O)=O ZINC000022333035 521513199 /nfs/dbraw/zinc/51/31/99/521513199.db2.gz QNSAQJAWDYOJNB-GOSISDBHSA-N 0 0 446.569 3.578 40 0 IHABRN CCN1C(=O)[C@@H](c2ccc(F)cc2)C2(CCN(C(=O)Nc3ccccc3F)CC2)C1=O ZINC000012115847 521529263 /nfs/dbraw/zinc/52/92/63/521529263.db2.gz JRYDOZKXLHCCCN-LJQANCHMSA-N 0 0 427.451 3.751 40 0 IHABRN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cccc(F)c2F)C3)c(OCC)n1 ZINC000012181078 521610845 /nfs/dbraw/zinc/61/08/45/521610845.db2.gz YPEZHGKZLXLXDN-NWMVZANLSA-N 0 0 433.499 3.672 40 0 IHABRN COC[C@H](Cc1ccc(OC)c(OC)c1)[C@@H](COC)Cc1cc2c(c(OC)c1)OCO2 ZINC000015272052 522687151 /nfs/dbraw/zinc/68/71/51/522687151.db2.gz RCFGIEPQSDGMJJ-RBUKOAKNSA-N 0 0 432.513 3.752 40 0 biogenic,in-vitro IHABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(C)cc1 ZINC000020491097 522778635 /nfs/dbraw/zinc/77/86/35/522778635.db2.gz HEUBGLUUUJKXDU-HXUWFJFHSA-N 0 0 436.961 3.550 40 0 IHABRN CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 ZINC000012241611 522902650 /nfs/dbraw/zinc/90/26/50/522902650.db2.gz RFMAFOGJKXTKNS-FQEVSTJZSA-N 0 0 448.523 3.816 40 0 IHABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NC[C@H](C)NC(=O)[C@@H](CC)Oc1ccc(C)cc1 ZINC000012137359 523039708 /nfs/dbraw/zinc/03/97/08/523039708.db2.gz WWIGNBPJZHTHOD-WWPVKYPJSA-N 0 0 426.557 3.939 40 0 IHABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000020455605 523059104 /nfs/dbraw/zinc/05/91/04/523059104.db2.gz KLADEFAPBDOQJQ-LJQANCHMSA-N 0 0 446.569 3.974 40 0 IHABRN CCn1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccsc3)c3ncccc3C)ccc21 ZINC000012229697 523110870 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524329447 /nfs/dbraw/zinc/32/94/47/524329447.db2.gz WHMXBBOFZPPFKM-LJQANCHMSA-N 0 0 430.570 3.653 40 0 IHABRN COc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1Cl ZINC000022337886 524358518 /nfs/dbraw/zinc/35/85/18/524358518.db2.gz SVNWGTZNDVHUAN-UHFFFAOYSA-N 0 0 445.368 3.517 40 0 IHABRN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@@H]2C1 ZINC000035900272 524374015 /nfs/dbraw/zinc/37/40/15/524374015.db2.gz AZDCWFCABWWOPR-DEVSCXNHSA-N 0 0 446.503 3.571 40 0 IHABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000022510821 524452585 /nfs/dbraw/zinc/45/25/85/524452585.db2.gz SHZPJZPXXVADMA-HSZRJFAPSA-N 0 0 426.582 3.731 40 0 IHABRN COc1ccc(NC(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C[C@@H]2CCCO2)cc1 ZINC000035315968 524538986 /nfs/dbraw/zinc/53/89/86/524538986.db2.gz ZKPSRDJVQKAPHX-NRFANRHFSA-N 0 0 446.511 3.808 40 0 IHABRN COc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000022382925 524592707 /nfs/dbraw/zinc/59/27/07/524592707.db2.gz 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COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000020492044 525023674 /nfs/dbraw/zinc/02/36/74/525023674.db2.gz NHZCCDKYDYHMNR-UHFFFAOYSA-N 0 0 440.974 3.864 40 0 IHABRN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000015737916 525045828 /nfs/dbraw/zinc/04/58/28/525045828.db2.gz IBVMHVCLPKHVGC-UHFFFAOYSA-N 0 0 431.739 3.670 40 0 IHABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1Br ZINC000020492484 525069571 /nfs/dbraw/zinc/06/95/71/525069571.db2.gz HTCDPSPUQZPPBO-NSHDSACASA-N 0 0 430.320 3.514 40 0 IHABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000018212454 525070188 /nfs/dbraw/zinc/07/01/88/525070188.db2.gz YNHFZHXGGRGLQK-QGZVFWFLSA-N 0 0 444.572 3.983 40 0 IHABRN COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1I ZINC000020489457 525074679 /nfs/dbraw/zinc/07/46/79/525074679.db2.gz MHBMMBDYMGTMEP-INIZCTEOSA-N 0 0 443.306 3.656 40 0 IHABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 ZINC000022397367 525135393 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IHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2csnn2)cc1 ZINC000012871587 525285864 /nfs/dbraw/zinc/28/58/64/525285864.db2.gz RLXHHXJKHKGLDI-HXUWFJFHSA-N 0 0 438.553 3.845 40 0 IHABRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000022509831 525310971 /nfs/dbraw/zinc/31/09/71/525310971.db2.gz INXOCNKWHDPCEL-SIKLNZKXSA-N 0 0 444.597 3.547 40 0 IHABRN COc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(C(C)C)cc3)[C@H]2C(=O)C(F)(F)F)cc1 ZINC000035023526 525446999 /nfs/dbraw/zinc/44/69/99/525446999.db2.gz FWKIKXUDPVZZGV-WAOWUJCRSA-N 0 0 436.430 3.765 40 0 IHABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C ZINC000022334736 525694525 /nfs/dbraw/zinc/69/45/25/525694525.db2.gz WISOJRXVIJIPSC-OAHLLOKOSA-N 0 0 428.476 3.966 40 0 IHABRN COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@H](C)n2nccc2C)c1 ZINC000019238330 525698899 /nfs/dbraw/zinc/69/88/99/525698899.db2.gz HWLDLVALDQPKBX-SFHVURJKSA-N 0 0 430.512 3.503 40 0 IHABRN Cc1ccc(-c2ccccc2CC2(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCOCC2)c(C)c1 ZINC000012231618 525756177 /nfs/dbraw/zinc/75/61/77/525756177.db2.gz VQYBYKRLOJWGFH-OAQYLSRUSA-N 0 0 441.593 3.613 40 0 IHABRN Cc1c(Cl)cccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000022337256 525758481 /nfs/dbraw/zinc/75/84/81/525758481.db2.gz KSIYZWCLVDNEIE-KRWDZBQOSA-N 0 0 436.961 3.833 40 0 IHABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000022526234 525768639 /nfs/dbraw/zinc/76/86/39/525768639.db2.gz STIDCFGIIZNHHW-QHCPKHFHSA-N 0 0 426.513 3.806 40 0 IHABRN C[C@H](C(=O)NC(C)(C)C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467153 526020750 /nfs/dbraw/zinc/02/07/50/526020750.db2.gz AOFNODJZGVWRKI-DZBILWESSA-N 0 0 429.605 3.554 40 0 biogenic,in-vitro IHABRN Cc1cc(-c2cnn(CCNC(=O)COc3cccc(F)c3)c2-c2ccc(C)nc2)on1 ZINC000012223172 526047355 /nfs/dbraw/zinc/04/73/55/526047355.db2.gz JJMCHALEXCHQAU-UHFFFAOYSA-N 0 0 435.459 3.551 40 0 IHABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000022329682 526174568 /nfs/dbraw/zinc/17/45/68/526174568.db2.gz DMPYTWGYZHTNHH-FQEVSTJZSA-N 0 0 430.570 3.796 40 0 IHABRN C[C@H]1CC(=O)c2c(nc(N3CCN(C(=O)c4ccco4)CC3)nc2Nc2ccccc2)C1 ZINC000020801901 526217890 /nfs/dbraw/zinc/21/78/90/526217890.db2.gz JCNTYAUDBZQIQK-MRXNPFEDSA-N 0 0 431.496 3.541 40 0 IHABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(F)cc3)c3nnnn3c2c1 ZINC000035290972 526229693 /nfs/dbraw/zinc/22/96/93/526229693.db2.gz KUCXZIOROMNIRH-FQEVSTJZSA-N 0 0 434.475 3.938 40 0 IHABRN S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1ccc2c(c1)OCO2 ZINC000225825442 526384999 /nfs/dbraw/zinc/38/49/99/526384999.db2.gz RKRPHTUNVHJFIB-UHFFFAOYSA-N 0 0 433.287 3.714 40 0 IHABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000022226880 526412283 /nfs/dbraw/zinc/41/22/83/526412283.db2.gz UUAQXVBULQHINP-UHFFFAOYSA-N 0 0 448.588 3.962 40 0 IHABRN Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC000072348291 526630274 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GAAGBVWJDOZPGR-HXUWFJFHSA-N 0 0 436.535 3.999 40 0 IHABRN O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012472005 527515357 /nfs/dbraw/zinc/51/53/57/527515357.db2.gz VBUCHHSFMTZYMB-HXUWFJFHSA-N 0 0 439.516 3.909 40 0 IHABRN COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013504889 536594776 /nfs/dbraw/zinc/59/47/76/536594776.db2.gz ZFEYHNBNAPXNDM-DEOSSOPVSA-N 0 0 434.588 3.866 40 0 IHABRN COc1ccc(C)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)cc1 ZINC000000656760 555525452 /nfs/dbraw/zinc/52/54/52/555525452.db2.gz DXDYIXHWLVOUSY-QKNQBKEWSA-N 0 0 442.581 3.812 40 0 IHABRN O=C(NCc1ccco1)c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F ZINC000000866767 555574069 /nfs/dbraw/zinc/57/40/69/555574069.db2.gz KIYSQZRIOAZPBL-PBHICJAKSA-N 0 0 434.374 3.795 40 0 IHABRN COc1ccccc1NC(=O)CCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O ZINC000001236504 555687162 /nfs/dbraw/zinc/68/71/62/555687162.db2.gz BKMZLRJFZUJTIU-UYRXBGFRSA-N 0 0 442.493 3.778 40 0 IHABRN O=C(NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000001687245 555709619 /nfs/dbraw/zinc/70/96/19/555709619.db2.gz ZEEPAKPPABEUSU-UHFFFAOYSA-N 0 0 434.546 3.940 40 0 IHABRN [NH3+][C@@H](Cc1cc(Br)c(Oc2ccc(O)cc2)c(Br)c1)C(=O)[O-] ZINC000001711133 555710663 /nfs/dbraw/zinc/71/06/63/555710663.db2.gz CKVYEYDIBPHSSM-ZDUSSCGKSA-N 0 0 431.080 3.664 40 0 IHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000408535174 555752441 /nfs/dbraw/zinc/75/24/41/555752441.db2.gz VBNZIJONEDTIFD-UHFFFAOYSA-N 0 0 441.347 3.545 40 0 IHABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000408545896 555808225 /nfs/dbraw/zinc/80/82/25/555808225.db2.gz BFHRTTVVVBRIKD-SFHVURJKSA-N 0 0 445.585 3.627 40 0 IHABRN COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1ccccc1F ZINC000408551637 555859586 /nfs/dbraw/zinc/85/95/86/555859586.db2.gz LRBPPTBJCMHTOR-UHFFFAOYSA-N 0 0 428.485 3.874 40 0 IHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1Cl ZINC000408554421 555883258 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IHABRN C[C@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 ZINC000408571789 555915399 /nfs/dbraw/zinc/91/53/99/555915399.db2.gz PNEPSAPTBKDHOQ-KRWDZBQOSA-N 0 0 447.510 3.953 40 0 IHABRN Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)NCC(C)C ZINC000408584128 555932317 /nfs/dbraw/zinc/93/23/17/555932317.db2.gz LWHAMRKFBSKFMP-UHFFFAOYSA-N 0 0 425.348 3.944 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NC1CCCCCC1 ZINC000408585263 555935518 /nfs/dbraw/zinc/93/55/18/555935518.db2.gz YGXFXVOTOKCCGU-UHFFFAOYSA-N 0 0 428.982 3.779 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000408585305 555936013 /nfs/dbraw/zinc/93/60/13/555936013.db2.gz YPVKBOKODMPVSC-UHFFFAOYSA-N 0 0 443.009 3.978 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC1CCCCCCC1 ZINC000408585563 555936225 /nfs/dbraw/zinc/93/62/25/555936225.db2.gz ZSZZJFMFIQYOFH-UHFFFAOYSA-N 0 0 428.982 3.732 40 0 IHABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1OC ZINC000408588032 555938475 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ZINC000019218278 556713142 /nfs/dbraw/zinc/71/31/42/556713142.db2.gz VIUVDKMEHDHGIQ-UHFFFAOYSA-N 0 0 434.536 3.780 40 0 IHABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCC2(C[C@@H](Oc3ccc(F)cc3)CO2)CC1 ZINC000257273331 556714161 /nfs/dbraw/zinc/71/41/61/556714161.db2.gz NGDQBHSWMDGWND-HSZRJFAPSA-N 0 0 435.499 3.913 40 0 IHABRN CCN1CCN(C(=O)c2cc(C)c(C)[nH]c2=O)[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257284043 556715204 /nfs/dbraw/zinc/71/52/04/556715204.db2.gz PBAGETPEYQJETA-XMMPIXPASA-N 0 0 443.547 3.987 40 0 IHABRN O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257285772 556715654 /nfs/dbraw/zinc/71/56/54/556715654.db2.gz PIUFXHXNWAMTPH-SANMLTNESA-N 0 0 449.551 3.541 40 0 IHABRN COc1ccc(-c2noc([C@@H]3CN(C(=O)Cc4coc5cc(C)ccc45)CCO3)n2)cc1 ZINC000019221642 556715731 /nfs/dbraw/zinc/71/57/31/556715731.db2.gz DBFHWNZUUQONFH-NRFANRHFSA-N 0 0 433.464 3.942 40 0 IHABRN Cc1ccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 ZINC000260453254 556720192 /nfs/dbraw/zinc/72/01/92/556720192.db2.gz HHRLHPZRYFPMJQ-XLIONFOSSA-N 0 0 430.570 3.877 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2cccnc2)C1 ZINC000019235490 556720233 /nfs/dbraw/zinc/72/02/33/556720233.db2.gz LVXFVTLSBSQAFC-HHHXNRCGSA-N 0 0 427.548 3.807 40 0 IHABRN Cc1cccc(C)c1OCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1 ZINC000019236060 556720884 /nfs/dbraw/zinc/72/08/84/556720884.db2.gz ZQBUNUZSHSQZHB-QHCPKHFHSA-N 0 0 443.547 3.562 40 0 IHABRN COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000019237021 556721920 /nfs/dbraw/zinc/72/19/20/556721920.db2.gz SVOQZGUANHTOFH-GGLGADRISA-N 0 0 440.499 3.514 40 0 IHABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccc(F)cc2)cc(N(C)C)n1 ZINC000019240862 556726601 /nfs/dbraw/zinc/72/66/01/556726601.db2.gz KFOFOVOCECCLTQ-QFIPXVFZSA-N 0 0 447.514 3.950 40 0 IHABRN Cc1nc(C)n(C[C@@H](C)C(=O)N[C@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)n1 ZINC000019285899 556727762 /nfs/dbraw/zinc/72/77/62/556727762.db2.gz YSWOAUHXDORNTB-VGOFRKELSA-N 0 0 434.540 3.793 40 0 IHABRN Cn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C(=O)Cc1ccccc1F ZINC000019288610 556728801 /nfs/dbraw/zinc/72/88/01/556728801.db2.gz VZMSWVJIZUMYDM-OAQYLSRUSA-N 0 0 434.519 3.523 40 0 IHABRN COc1ccc([C@H]2[C@H](C(=O)OCc3ccccc3)C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000054175972 556729271 /nfs/dbraw/zinc/72/92/71/556729271.db2.gz KDZDYQANPKXOJI-VXKWHMMOSA-N 0 0 427.460 3.924 40 0 IHABRN COc1ccc(NC(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCCO5)cc1 ZINC000000877403 556729820 /nfs/dbraw/zinc/72/98/20/556729820.db2.gz SIOQWGLLZIYOAY-UHFFFAOYSA-N 0 0 436.493 3.702 40 0 IHABRN COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCCCC[C@@H]3c3ccn(C)n3)C2)cc1Cl ZINC000019291010 556731103 /nfs/dbraw/zinc/73/11/03/556731103.db2.gz DPGJXYJAMDVHSP-WIYYLYMNSA-N 0 0 446.935 3.728 40 0 IHABRN O=C(c1cccc(F)c1)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](CC1CC1)CC3 ZINC000019293550 556733114 /nfs/dbraw/zinc/73/31/14/556733114.db2.gz JBGRRAQRNDDICG-QFIPXVFZSA-N 0 0 449.530 3.710 40 0 IHABRN O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 ZINC000019332032 556737044 /nfs/dbraw/zinc/73/70/44/556737044.db2.gz NCRMBMVHLKCOAT-QFIPXVFZSA-N 0 0 447.514 3.642 40 0 IHABRN O=C(c1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 ZINC000019332036 556737186 /nfs/dbraw/zinc/73/71/86/556737186.db2.gz NCRMBMVHLKCOAT-JOCHJYFZSA-N 0 0 447.514 3.642 40 0 IHABRN O=C(N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000019332702 556737488 /nfs/dbraw/zinc/73/74/88/556737488.db2.gz QDMHHAPQVNILMQ-DLBZAZTESA-N 0 0 435.906 3.892 40 0 IHABRN O=C(Cc1cccnc1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000019338468 556739500 /nfs/dbraw/zinc/73/95/00/556739500.db2.gz JRYOXILINJYMQF-UHFFFAOYSA-N 0 0 433.487 3.531 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2C)c1 ZINC000000894331 556740491 /nfs/dbraw/zinc/74/04/91/556740491.db2.gz KSACXPPVQVQLSV-UHFFFAOYSA-N 0 0 440.525 3.610 40 0 IHABRN CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895708 556740934 /nfs/dbraw/zinc/74/09/34/556740934.db2.gz YPYZQXCHYRJYAU-UHFFFAOYSA-N 0 0 429.517 3.581 40 0 IHABRN O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019343460 556741590 /nfs/dbraw/zinc/74/15/90/556741590.db2.gz LRMOPCKHYDECFO-FQEVSTJZSA-N 0 0 438.528 3.506 40 0 IHABRN O=C(c1cc2c(s1)CCCC2)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000019349716 556744781 /nfs/dbraw/zinc/74/47/81/556744781.db2.gz QKDZNFNNEPBVDV-KRWDZBQOSA-N 0 0 427.501 3.954 40 0 IHABRN CC(C)(C)c1ccc(C(=O)[C@@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 ZINC000019365027 556746060 /nfs/dbraw/zinc/74/60/60/556746060.db2.gz LLWAEHIULOYSDC-LOSJGSFVSA-N 0 0 436.596 3.941 40 0 IHABRN O=C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)NCc1ccco1 ZINC000000916225 556746995 /nfs/dbraw/zinc/74/69/95/556746995.db2.gz MWEJIOYANXOZNG-UHFFFAOYSA-N 0 0 434.521 3.907 40 0 IHABRN CCNC(=S)N(Cc1ccc(Cl)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000920270 556749716 /nfs/dbraw/zinc/74/97/16/556749716.db2.gz HVFPBPHDHBWCOC-UHFFFAOYSA-N 0 0 443.956 3.849 40 0 IHABRN O=C1OC(c2ccc(I)cc2)=N/C1=C/c1ccc(Br)o1 ZINC000001084923 556750145 /nfs/dbraw/zinc/75/01/45/556750145.db2.gz XOPRREJJEHSDNX-YRNVUSSQSA-N 0 0 444.022 3.991 40 0 IHABRN Cc1cc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000000923879 556751842 /nfs/dbraw/zinc/75/18/42/556751842.db2.gz VKWRAHFCDYKQIY-FQEVSTJZSA-N 0 0 444.528 3.654 40 0 IHABRN O=C(CN1Cc2ccccc2C1)N1CCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376447 556752196 /nfs/dbraw/zinc/75/21/96/556752196.db2.gz ISASBZOITLHRPC-NRFANRHFSA-N 0 0 425.492 3.964 40 0 IHABRN Cc1cccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c12 ZINC000000926393 556753164 /nfs/dbraw/zinc/75/31/64/556753164.db2.gz GKUQGTGAOFCZFJ-UHFFFAOYSA-N 0 0 428.540 3.816 40 0 IHABRN COc1ccc2cc(C)c3nnc(SCC(=O)Nc4cccc(NC(C)=O)c4)n3c2c1 ZINC000000928552 556754261 /nfs/dbraw/zinc/75/42/61/556754261.db2.gz PCUURGHGBYYPOZ-UHFFFAOYSA-N 0 0 435.509 3.889 40 0 IHABRN COc1ccc2cc(C)c3nnc(SCC(=O)Nc4cc(OC)cc(OC)c4)n3c2c1 ZINC000000928453 556754468 /nfs/dbraw/zinc/75/44/68/556754468.db2.gz ATDXDDKWISUAMA-UHFFFAOYSA-N 0 0 438.509 3.948 40 0 IHABRN CCOc1cc(NC(=O)CCn2nnc3ccccc32)c(OCC)cc1NC(=O)CC ZINC000000929399 556755300 /nfs/dbraw/zinc/75/53/00/556755300.db2.gz NWDKDPURPXBSJQ-UHFFFAOYSA-N 0 0 425.489 3.606 40 0 IHABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 ZINC000019449173 556759452 /nfs/dbraw/zinc/75/94/52/556759452.db2.gz JIJPMOVYALTXKI-YKSBVNFPSA-N 0 0 426.582 3.880 40 0 IHABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnccn2)C1 ZINC000019449510 556760252 /nfs/dbraw/zinc/76/02/52/556760252.db2.gz UZUIOFKIIOCNLU-AREMUKBSSA-N 0 0 428.536 3.743 40 0 IHABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cnccn2)C1 ZINC000019449500 556760257 /nfs/dbraw/zinc/76/02/57/556760257.db2.gz UWPKVDLBJGJZPH-SANMLTNESA-N 0 0 428.536 3.743 40 0 IHABRN CC(C)c1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)[nH]n1 ZINC000019451720 556762440 /nfs/dbraw/zinc/76/24/40/556762440.db2.gz YORBQPZDWIRLHR-VWLOTQADSA-N 0 0 434.515 3.900 40 0 IHABRN CC(C)c1nc(C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccccc2)cc(=O)[nH]1 ZINC000019453558 556764228 /nfs/dbraw/zinc/76/42/28/556764228.db2.gz KMRWOVRCLDTLLQ-JOCHJYFZSA-N 0 0 431.536 3.861 40 0 IHABRN C[C@H](C(=O)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C)c1ccccc1 ZINC000019459240 556766843 /nfs/dbraw/zinc/76/68/43/556766843.db2.gz BOFWTXUBOFAAAZ-AVRDEDQJSA-N 0 0 430.556 3.945 40 0 IHABRN CC(C)n1cc(C(=O)N2CCC(n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)CC2)cn1 ZINC000019497210 556769726 /nfs/dbraw/zinc/76/97/26/556769726.db2.gz VYWYQECBVSZTPT-HNNXBMFYSA-N 0 0 439.585 3.838 40 0 IHABRN CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 ZINC000019499360 556771452 /nfs/dbraw/zinc/77/14/52/556771452.db2.gz CIIKCCRTRVQCPG-QGZVFWFLSA-N 0 0 445.470 3.634 40 0 IHABRN CCC(CC)C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019500195 556772325 /nfs/dbraw/zinc/77/23/25/556772325.db2.gz ZYQQFNIJMJWQTE-NRFANRHFSA-N 0 0 442.604 3.725 40 0 IHABRN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001327511 556772821 /nfs/dbraw/zinc/77/28/21/556772821.db2.gz JQNGZIVZYRIFPB-HXUWFJFHSA-N 0 0 425.460 3.889 40 0 IHABRN CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O ZINC000019502958 556774172 /nfs/dbraw/zinc/77/41/72/556774172.db2.gz LHUKTUAOICZGKC-DEOSSOPVSA-N 0 0 444.579 3.949 40 0 IHABRN CCCN1CCN(Cc2nccn2CC)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503072 556774348 /nfs/dbraw/zinc/77/43/48/556774348.db2.gz UCRIZNSXDABHEY-XMMPIXPASA-N 0 0 431.584 3.878 40 0 IHABRN CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O ZINC000019503005 556774434 /nfs/dbraw/zinc/77/44/34/556774434.db2.gz VSWBUYRAMGWVHE-QHCPKHFHSA-N 0 0 430.552 3.640 40 0 IHABRN CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2cccc(-c3cccs3)c2)C1=O ZINC000019503105 556774583 /nfs/dbraw/zinc/77/45/83/556774583.db2.gz INOSHRCHOJWVSM-HXUWFJFHSA-N 0 0 436.581 3.702 40 0 IHABRN CCCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503364 556774936 /nfs/dbraw/zinc/77/49/36/556774936.db2.gz FUVJGGMSQIIQDW-QHCPKHFHSA-N 0 0 431.584 3.878 40 0 IHABRN CCc1noc(C)c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 ZINC000019521267 556778056 /nfs/dbraw/zinc/77/80/56/556778056.db2.gz OEOVXJHCJNWSDN-HXUWFJFHSA-N 0 0 432.528 3.905 40 0 IHABRN Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)NC2CCCC2)C(=O)C(C)(C)O3)cc1 ZINC000001342429 556779196 /nfs/dbraw/zinc/77/91/96/556779196.db2.gz ZEPBRESYMVHRKY-UHFFFAOYSA-N 0 0 435.524 3.810 40 0 IHABRN CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)c2ccc(C)n(C)c2=O)CC1 ZINC000019522082 556779255 /nfs/dbraw/zinc/77/92/55/556779255.db2.gz PRPDFFGCPHUGMQ-UHFFFAOYSA-N 0 0 448.445 3.831 40 0 IHABRN COc1ccc(-n2ncc3c2ncnc3SCC(=O)N2CCCc3ccccc32)cc1 ZINC000001346585 556780048 /nfs/dbraw/zinc/78/00/48/556780048.db2.gz JJOFVMFTEIJWJI-UHFFFAOYSA-N 0 0 431.521 3.896 40 0 IHABRN CCc1ncc(CN2CCN(CC)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cn1 ZINC000019523433 556781104 /nfs/dbraw/zinc/78/11/04/556781104.db2.gz WSVBUFYIEVVGAG-HSZRJFAPSA-N 0 0 429.568 3.624 40 0 IHABRN CCc1ncc(CN2CCN(CC)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cn1 ZINC000019523434 556781112 /nfs/dbraw/zinc/78/11/12/556781112.db2.gz WSVBUFYIEVVGAG-QHCPKHFHSA-N 0 0 429.568 3.624 40 0 IHABRN CC1(C)Oc2ccc(C(=O)N3CCCC3)cc2N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000001355323 556782283 /nfs/dbraw/zinc/78/22/83/556782283.db2.gz SEGCVONMNFEKKB-UHFFFAOYSA-N 0 0 426.900 3.963 40 0 IHABRN Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccncc2)c1 ZINC000001357106 556783076 /nfs/dbraw/zinc/78/30/76/556783076.db2.gz XCRVEDCBEFLAFU-JOCHJYFZSA-N 0 0 443.532 3.946 40 0 IHABRN COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(C)cc3)n2)cc1 ZINC000001372712 556785257 /nfs/dbraw/zinc/78/52/57/556785257.db2.gz LYLHDNKPUATNDI-UHFFFAOYSA-N 0 0 427.464 3.792 40 0 IHABRN Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccc(F)c3)n2)cc1 ZINC000001372789 556785339 /nfs/dbraw/zinc/78/53/39/556785339.db2.gz KEJMMVUZWPWILK-UHFFFAOYSA-N 0 0 430.443 3.679 40 0 IHABRN CCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000019527611 556786330 /nfs/dbraw/zinc/78/63/30/556786330.db2.gz YMROZSYSSLLOHE-QFIPXVFZSA-N 0 0 430.552 3.857 40 0 IHABRN CCN1CCN(C(=O)[C@H](C)n2nccc2C)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527633 556786522 /nfs/dbraw/zinc/78/65/22/556786522.db2.gz WAGVPMAJKGLTCM-XUZZJYLKSA-N 0 0 444.579 3.969 40 0 IHABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)Cc2cccnc2)C1 ZINC000019528556 556788045 /nfs/dbraw/zinc/78/80/45/556788045.db2.gz KVMBUNODWATJQT-HHHXNRCGSA-N 0 0 442.563 3.674 40 0 IHABRN COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccccn2)cc1 ZINC000001362799 556788809 /nfs/dbraw/zinc/78/88/09/556788809.db2.gz IFAHIJVJJFISAL-UHFFFAOYSA-N 0 0 445.548 3.789 40 0 IHABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnccn2)C1 ZINC000019528717 556789154 /nfs/dbraw/zinc/78/91/54/556789154.db2.gz IHUFHBINBAWDEF-DEOSSOPVSA-N 0 0 434.565 3.806 40 0 IHABRN CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H](C)n2ccnc2)C1 ZINC000019528780 556789451 /nfs/dbraw/zinc/78/94/51/556789451.db2.gz NNUAPUPGLBJBQZ-MHECFPHRSA-N 0 0 436.581 3.770 40 0 IHABRN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)cc1 ZINC000001364020 556789610 /nfs/dbraw/zinc/78/96/10/556789610.db2.gz WDHGICJBSKQRJV-INIZCTEOSA-N 0 0 436.961 3.950 40 0 IHABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CCCC2)CCO1 ZINC000019529231 556790581 /nfs/dbraw/zinc/79/05/81/556790581.db2.gz ZEQZNLSWDBTHDA-DEOSSOPVSA-N 0 0 426.582 3.882 40 0 IHABRN Cc1sc(NC(=O)Cc2ccccc2)nc1-c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000001365917 556790606 /nfs/dbraw/zinc/79/06/06/556790606.db2.gz JWYVLHNGGLKHEO-UHFFFAOYSA-N 0 0 427.551 3.622 40 0 IHABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2cccnc2)CCO1 ZINC000019529290 556790770 /nfs/dbraw/zinc/79/07/70/556790770.db2.gz YLPWMYZFFWLGCZ-HHHXNRCGSA-N 0 0 443.547 3.647 40 0 IHABRN CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000019529892 556791119 /nfs/dbraw/zinc/79/11/19/556791119.db2.gz NAHFNQOCQVPENT-QPPBQGQZSA-N 0 0 426.513 3.543 40 0 IHABRN CCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCN(C(=O)c2ccccn2)CC1 ZINC000019530164 556791250 /nfs/dbraw/zinc/79/12/50/556791250.db2.gz ZPOUOXXRFLCKHY-UHFFFAOYSA-N 0 0 437.471 3.904 40 0 IHABRN CCOC(=O)[C@]12CCC[C@H]1N(C(=O)c1sccc1S(=O)(=O)C(C)(C)C)CC=CC2 ZINC000019530657 556791591 /nfs/dbraw/zinc/79/15/91/556791591.db2.gz WOPIBPPAKWRVEB-IIBYNOLFSA-N 0 0 439.599 3.824 40 0 IHABRN CCOc1ncccc1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 ZINC000019531547 556792119 /nfs/dbraw/zinc/79/21/19/556792119.db2.gz RLGBIQFONNCOCL-UHFFFAOYSA-N 0 0 431.471 3.975 40 0 IHABRN COc1ccc(-c2nsc3c2ncnc3N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000001370801 556792656 /nfs/dbraw/zinc/79/26/56/556792656.db2.gz CFPFNBZVFFTAAP-UHFFFAOYSA-N 0 0 449.511 3.863 40 0 IHABRN COc1ccc(C(=O)N2CCN(c3ncnc4c(-c5ccc(F)cc5)nsc43)CC2)cc1 ZINC000001370684 556792744 /nfs/dbraw/zinc/79/27/44/556792744.db2.gz NHENJLDJASDCMV-UHFFFAOYSA-N 0 0 449.511 3.863 40 0 IHABRN Cc1ncc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)c(C)n1 ZINC000019552367 556795891 /nfs/dbraw/zinc/79/58/91/556795891.db2.gz GTZSAGOQPIFZDA-HHHXNRCGSA-N 0 0 442.563 3.924 40 0 IHABRN Cc1ncncc1C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3F)c2C1 ZINC000019552988 556797034 /nfs/dbraw/zinc/79/70/34/556797034.db2.gz VARUZDWWWWOLEO-UHFFFAOYSA-N 0 0 441.470 3.718 40 0 IHABRN C=Cn1ncc(C[NH+]2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c1C ZINC000019554330 556797752 /nfs/dbraw/zinc/79/77/52/556797752.db2.gz SHGDPYJKHFCNJK-HXUWFJFHSA-N 0 0 426.492 3.681 40 0 IHABRN COc1cccc(C(=O)N2CCC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c1 ZINC000019564379 556805297 /nfs/dbraw/zinc/80/52/97/556805297.db2.gz DWPUTKLOQYARFS-SANMLTNESA-N 0 0 429.520 3.708 40 0 IHABRN Cc1cc(C(F)(F)F)c2c(cc(C3CCN(C(=O)CCc4cccnc4)CC3)[nH]c2=O)n1 ZINC000019568543 556808537 /nfs/dbraw/zinc/80/85/37/556808537.db2.gz YWMPZFURIRULNP-UHFFFAOYSA-N 0 0 444.457 3.984 40 0 IHABRN COc1ccccc1CC(=O)N1CCC[C@@](Cc2ccc(-c3cccnc3)cc2)(C(N)=O)C1 ZINC000019569526 556809643 /nfs/dbraw/zinc/80/96/43/556809643.db2.gz YUELNUVVEHLMTG-MHZLTWQESA-N 0 0 443.547 3.637 40 0 IHABRN Cc1cc(O[C@@H](C)C(=O)N2CCC[C@H](c3noc(-c4cnccn4)n3)C2)cc(C)c1Cl ZINC000019569902 556810093 /nfs/dbraw/zinc/81/00/93/556810093.db2.gz ZXOAUBXHHNSLEZ-HOTGVXAUSA-N 0 0 441.919 3.970 40 0 IHABRN COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C ZINC000019571147 556811333 /nfs/dbraw/zinc/81/13/33/556811333.db2.gz ZECGTOPCTNAHAG-NRFANRHFSA-N 0 0 431.540 3.828 40 0 IHABRN CNc1cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc(-c2cccnc2)n1 ZINC000019571522 556811718 /nfs/dbraw/zinc/81/17/18/556811718.db2.gz VYBKGNVOOUKCGA-KRWDZBQOSA-N 0 0 441.532 3.596 40 0 IHABRN COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CCN(C(=O)Cc3cccc(F)c3)C2)cc1 ZINC000019571615 556811796 /nfs/dbraw/zinc/81/17/96/556811796.db2.gz YEIAGKAIKSWZCD-MHZLTWQESA-N 0 0 446.522 3.991 40 0 IHABRN COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCNC1=O ZINC000019571774 556812109 /nfs/dbraw/zinc/81/21/09/556812109.db2.gz QAMFDDBSSXAQJB-OAQYLSRUSA-N 0 0 446.522 3.861 40 0 IHABRN Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 ZINC000019572134 556812346 /nfs/dbraw/zinc/81/23/46/556812346.db2.gz RBATVBIOHCWXRK-CQSZACIVSA-N 0 0 432.446 3.917 40 0 IHABRN COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C4(c5ccc(OC)cc5)CC4)nn3cn2)cc1 ZINC000019575506 556814983 /nfs/dbraw/zinc/81/49/83/556814983.db2.gz TYTJMOGCTNBJQM-MRXNPFEDSA-N 0 0 443.507 3.718 40 0 IHABRN CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccnc2)C1 ZINC000019579208 556816642 /nfs/dbraw/zinc/81/66/42/556816642.db2.gz UWZVYOLFOBAFIB-MHZLTWQESA-N 0 0 442.563 3.626 40 0 IHABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cccnc2N)C1 ZINC000019579393 556817119 /nfs/dbraw/zinc/81/71/19/556817119.db2.gz DVFLVEQGEFBPDK-RUZDIDTESA-N 0 0 448.592 3.946 40 0 IHABRN COc1ccccc1NC(=S)N(CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004127437 556818969 /nfs/dbraw/zinc/81/89/69/556818969.db2.gz OYOQFUQZQNIMTD-UHFFFAOYSA-N 0 0 425.554 3.735 40 0 IHABRN CSCC[C@@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019581321 556819322 /nfs/dbraw/zinc/81/93/22/556819322.db2.gz DGQLKUCYTRIHKY-MRXNPFEDSA-N 0 0 438.553 3.836 40 0 IHABRN O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)C1CCCCC1)Nc1ccccn1 ZINC000004240865 556820996 /nfs/dbraw/zinc/82/09/96/556820996.db2.gz ZGOLKZRTOCRTCG-UHFFFAOYSA-N 0 0 428.577 3.801 40 0 IHABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](O)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000004276609 556821173 /nfs/dbraw/zinc/82/11/73/556821173.db2.gz HSENALUPARAQJF-PHGHRUFFSA-N 0 0 426.594 3.716 40 0 IHABRN COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584384 556821615 /nfs/dbraw/zinc/82/16/15/556821615.db2.gz KATAAQBFRJRORU-GOSISDBHSA-N 0 0 447.539 3.642 40 0 IHABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)C1CC1 ZINC000004847423 556823671 /nfs/dbraw/zinc/82/36/71/556823671.db2.gz MRLMTMXGZGRNPX-HXUWFJFHSA-N 0 0 425.558 3.530 40 0 IHABRN CC(C)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)cc1 ZINC000004875714 556824796 /nfs/dbraw/zinc/82/47/96/556824796.db2.gz YCLCWWNVKUHGDB-UHFFFAOYSA-N 0 0 427.570 3.693 40 0 IHABRN CCSc1nnc([C@@H]2CCCN2CC(=O)N2CCC(Cc3ccccc3)CC2)n1C ZINC000005001619 556826139 /nfs/dbraw/zinc/82/61/39/556826139.db2.gz CRXHMQLWUXSJOT-FQEVSTJZSA-N 0 0 427.618 3.545 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)c2ccncc2)C1 ZINC000019591240 556826238 /nfs/dbraw/zinc/82/62/38/556826238.db2.gz RQEZXMXFISYMIZ-HHHXNRCGSA-N 0 0 443.547 3.968 40 0 IHABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccccc2OC)C1 ZINC000019591521 556827106 /nfs/dbraw/zinc/82/71/06/556827106.db2.gz ITKDIIFLXJYZJX-MHZLTWQESA-N 0 0 443.547 3.507 40 0 IHABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(Cc2cccc(Cl)c2)CCO1 ZINC000019591902 556827962 /nfs/dbraw/zinc/82/79/62/556827962.db2.gz UNLBKYHIUIXPMO-RUZDIDTESA-N 0 0 435.955 3.962 40 0 IHABRN CNc1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)ccn1 ZINC000019592067 556828003 /nfs/dbraw/zinc/82/80/03/556828003.db2.gz KTQDGZTXAAQWJW-MHZLTWQESA-N 0 0 442.563 3.954 40 0 IHABRN CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000006074658 556828117 /nfs/dbraw/zinc/82/81/17/556828117.db2.gz INIMQDIWKDVHQU-JOCHJYFZSA-N 0 0 449.486 3.853 40 0 IHABRN CCc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000006284355 556831588 /nfs/dbraw/zinc/83/15/88/556831588.db2.gz KVAJPVQEHKBGOH-NRFANRHFSA-N 0 0 435.553 3.942 40 0 IHABRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3Br)n2)cc1 ZINC000006481130 556834055 /nfs/dbraw/zinc/83/40/55/556834055.db2.gz RXFFSTMEOWRIBK-UHFFFAOYSA-N 0 0 430.306 3.920 40 0 IHABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)cc2c1 ZINC000006409294 556834760 /nfs/dbraw/zinc/83/47/60/556834760.db2.gz CYSDYCYUDWMUHI-HSZRJFAPSA-N 0 0 446.530 3.976 40 0 IHABRN Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2c1C ZINC000006442356 556835600 /nfs/dbraw/zinc/83/56/00/556835600.db2.gz FIYDYXZSGBURPJ-QFIPXVFZSA-N 0 0 432.503 3.504 40 0 IHABRN COC(=O)CCCCCNC(=O)C1[C@@H](c2ccccc2)C(C(=O)OC)[C@@H]1c1ccccc1 ZINC000006878988 556840178 /nfs/dbraw/zinc/84/01/78/556840178.db2.gz JNHLRGWIUHMBAL-SSPWFOHLSA-N 0 0 437.536 3.823 40 0 IHABRN CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000008640099 556841807 /nfs/dbraw/zinc/84/18/07/556841807.db2.gz YLILVKZIPKBNFB-UHFFFAOYSA-N 0 0 428.539 3.553 40 0 IHABRN O=C(Cc1cccs1)N(c1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1 ZINC000008667186 556842003 /nfs/dbraw/zinc/84/20/03/556842003.db2.gz ASXLGFHXTXKNCW-NZQKXSOJSA-N 0 0 435.549 3.755 40 0 IHABRN Cc1nccn1CCC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019687529 556842295 /nfs/dbraw/zinc/84/22/95/556842295.db2.gz AVQIPDBRANAXST-IBGZPJMESA-N 0 0 436.535 3.650 40 0 IHABRN COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1 ZINC000019687833 556842424 /nfs/dbraw/zinc/84/24/24/556842424.db2.gz IOTYMJIKFGTEAI-UHFFFAOYSA-N 0 0 445.567 3.967 40 0 IHABRN Cc1ccc2c(c1)N(CC(=O)N(Cc1ccco1)Cc1ccccn1)C(=O)[C@H](C(C)C)O2 ZINC000008680008 556844398 /nfs/dbraw/zinc/84/43/98/556844398.db2.gz UPWUOCNVPLQUKN-DEOSSOPVSA-N 0 0 433.508 3.962 40 0 IHABRN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CC2CCCCC2)n1 ZINC000019689601 556844519 /nfs/dbraw/zinc/84/45/19/556844519.db2.gz QBXOUPFGACOIPQ-OAQYLSRUSA-N 0 0 435.572 3.942 40 0 IHABRN Cc1c(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)cnn1C ZINC000019694102 556849132 /nfs/dbraw/zinc/84/91/32/556849132.db2.gz VJSSIBBMUDBZIU-KRWDZBQOSA-N 0 0 438.963 3.925 40 0 IHABRN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)cc1 ZINC000019694289 556849895 /nfs/dbraw/zinc/84/98/95/556849895.db2.gz ATWMPCAZDOBDLD-NRFANRHFSA-N 0 0 446.555 3.797 40 0 IHABRN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2cnn(C)c2C)cc1 ZINC000019694333 556850139 /nfs/dbraw/zinc/85/01/39/556850139.db2.gz IVWJNIJWLWHVIW-NRFANRHFSA-N 0 0 434.544 3.628 40 0 IHABRN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)n1 ZINC000019694517 556850586 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/nfs/dbraw/zinc/36/85/14/557368514.db2.gz DHBUIXFHBBOSCI-SFHVURJKSA-N 0 0 436.533 3.522 40 0 IHABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1F)c1ccccc1F ZINC000222656336 557369326 /nfs/dbraw/zinc/36/93/26/557369326.db2.gz FRADJECOQGXBOP-UHFFFAOYSA-N 0 0 447.301 3.912 40 0 IHABRN COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000222673439 557371904 /nfs/dbraw/zinc/37/19/04/557371904.db2.gz UIWKYZYDIGEBLB-UHFFFAOYSA-N 0 0 444.597 3.867 40 0 IHABRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000101135365 557372106 /nfs/dbraw/zinc/37/21/06/557372106.db2.gz UBZIBLXCIWQIKU-ZLNRFVROSA-N 0 0 448.450 3.894 40 0 IHABRN COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 ZINC000222692372 557374795 /nfs/dbraw/zinc/37/47/95/557374795.db2.gz YTMVOKKZOFGMNJ-UHFFFAOYSA-N 0 0 440.521 3.846 40 0 IHABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1SC)S(C)(=O)=O ZINC000113940072 557379659 /nfs/dbraw/zinc/37/96/59/557379659.db2.gz PQFNBYUSXIGRRT-GFCCVEGCSA-N 0 0 428.963 3.864 40 0 IHABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCCC(C)C)cc1OC ZINC000222732412 557380650 /nfs/dbraw/zinc/38/06/50/557380650.db2.gz LHXAPKSOWIZCDW-LJQANCHMSA-N 0 0 426.557 3.826 40 0 IHABRN CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 ZINC000113955845 557381362 /nfs/dbraw/zinc/38/13/62/557381362.db2.gz ASZKLVWLHCCUTD-UHFFFAOYSA-N 0 0 448.610 3.524 40 0 IHABRN Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000013658182 557382368 /nfs/dbraw/zinc/38/23/68/557382368.db2.gz JUWVFMBLRZYEBS-SFHVURJKSA-N 0 0 425.554 3.794 40 0 IHABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N(C)Cc1ccccc1F ZINC000222765319 557384206 /nfs/dbraw/zinc/38/42/06/557384206.db2.gz YZXZVVZCYJRZQI-UHFFFAOYSA-N 0 0 448.560 3.783 40 0 IHABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N(C)c1ccc(F)cc1 ZINC000222767824 557384479 /nfs/dbraw/zinc/38/44/79/557384479.db2.gz MBLCKEGVUIBGTP-UHFFFAOYSA-N 0 0 434.533 3.787 40 0 IHABRN CC[C@H](NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000113968479 557384524 /nfs/dbraw/zinc/38/45/24/557384524.db2.gz LKYQZAJPXHTNJQ-IBGZPJMESA-N 0 0 434.558 3.518 40 0 IHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222778460 557386209 /nfs/dbraw/zinc/38/62/09/557386209.db2.gz BSVPFWYUPNDKIL-ZDUSSCGKSA-N 0 0 425.312 3.544 40 0 IHABRN Cc1cccc(-c2ccccc2C[C@H]2C(=O)NCCN2C(=O)CCCc2ccccn2)c1 ZINC000072351616 557386233 /nfs/dbraw/zinc/38/62/33/557386233.db2.gz LTHZNVMDNXXDDN-VWLOTQADSA-N 0 0 427.548 3.949 40 0 IHABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000222781931 557386515 /nfs/dbraw/zinc/38/65/15/557386515.db2.gz GESDHSOWNFBFOS-SFHVURJKSA-N 0 0 428.554 3.526 40 0 IHABRN COc1ccc(CN2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)cc1OC ZINC000072351670 557386554 /nfs/dbraw/zinc/38/65/54/557386554.db2.gz CGAYCQBHRZTEOY-QHCPKHFHSA-N 0 0 431.536 3.651 40 0 IHABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C ZINC000222781989 557386593 /nfs/dbraw/zinc/38/65/93/557386593.db2.gz GESDHSOWNFBFOS-GOSISDBHSA-N 0 0 428.554 3.526 40 0 IHABRN CC(C)Oc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000222790945 557387308 /nfs/dbraw/zinc/38/73/08/557387308.db2.gz WKAZCNDEBAGJOQ-UHFFFAOYSA-N 0 0 426.538 3.709 40 0 IHABRN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072376931 557388946 /nfs/dbraw/zinc/38/89/46/557388946.db2.gz HXVJEBWWRPJECS-IBGZPJMESA-N 0 0 430.480 3.920 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072376937 557389018 /nfs/dbraw/zinc/38/90/18/557389018.db2.gz JHFFJFMOWZTBLM-HXUWFJFHSA-N 0 0 442.516 3.789 40 0 IHABRN Cc1ccc([C@@H](NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)cc1 ZINC000222835300 557391601 /nfs/dbraw/zinc/39/16/01/557391601.db2.gz AFPIHEUHWUMBMK-KRWDZBQOSA-N 0 0 444.582 3.899 40 0 IHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 ZINC000222882866 557397796 /nfs/dbraw/zinc/39/77/96/557397796.db2.gz HOXLUKKHQZAYRV-RUZDIDTESA-N 0 0 446.547 3.769 40 0 IHABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1OCC ZINC000222892622 557399644 /nfs/dbraw/zinc/39/96/44/557399644.db2.gz BHGQOURTAWHEFH-MRXNPFEDSA-N 0 0 446.569 3.823 40 0 IHABRN CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000222901440 557400722 /nfs/dbraw/zinc/40/07/22/557400722.db2.gz VTYUDWAGCLSFHN-LJQANCHMSA-N 0 0 425.485 3.790 40 0 IHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222905661 557401266 /nfs/dbraw/zinc/40/12/66/557401266.db2.gz XNRLYEUJDRGJNS-QGZVFWFLSA-N 0 0 447.373 3.651 40 0 IHABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222930104 557404530 /nfs/dbraw/zinc/40/45/30/557404530.db2.gz JKPOQIGFORPPNV-LJQANCHMSA-N 0 0 430.520 3.553 40 0 IHABRN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000033539554 557409323 /nfs/dbraw/zinc/40/93/23/557409323.db2.gz SHKWQQFLYBZTKN-MOSHPQCFSA-N 0 0 447.516 3.613 40 0 IHABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222987093 557412326 /nfs/dbraw/zinc/41/23/26/557412326.db2.gz AIYRSZLNYVSKMP-GAJHUEQPSA-N 0 0 444.597 3.996 40 0 IHABRN COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 ZINC000222989153 557412504 /nfs/dbraw/zinc/41/25/04/557412504.db2.gz PLQOREMBUQLSPB-SFHVURJKSA-N 0 0 444.597 3.998 40 0 IHABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)Cc2ccccc2)cc1 ZINC000222989177 557412508 /nfs/dbraw/zinc/41/25/08/557412508.db2.gz RPUBQVVIPADZSG-FQEVSTJZSA-N 0 0 446.547 3.980 40 0 IHABRN COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222989066 557412553 /nfs/dbraw/zinc/41/25/53/557412553.db2.gz SJZBDBZCYPXXSH-SFHVURJKSA-N 0 0 444.597 3.998 40 0 IHABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCc2ccccn2)cc1 ZINC000222993879 557413328 /nfs/dbraw/zinc/41/33/28/557413328.db2.gz KLAUOBJQPSYGNG-FQEVSTJZSA-N 0 0 431.536 3.757 40 0 IHABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000223006283 557414709 /nfs/dbraw/zinc/41/47/09/557414709.db2.gz BSCSMIMHPYDCHN-INIZCTEOSA-N 0 0 432.611 3.785 40 0 IHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1C ZINC000223031413 557418116 /nfs/dbraw/zinc/41/81/16/557418116.db2.gz PZSVFXSPGKPZGW-QGZVFWFLSA-N 0 0 447.373 3.998 40 0 IHABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223037288 557419239 /nfs/dbraw/zinc/41/92/39/557419239.db2.gz ARJFCVDCMIPYAO-NRFANRHFSA-N 0 0 429.520 3.662 40 0 IHABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 ZINC000223063854 557424281 /nfs/dbraw/zinc/42/42/81/557424281.db2.gz GPYYAEXIBBRPLK-XZOQPEGZSA-N 0 0 435.597 3.947 40 0 IHABRN Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1C ZINC000014154278 557426216 /nfs/dbraw/zinc/42/62/16/557426216.db2.gz OQINNHKDFPWOMS-LJQANCHMSA-N 0 0 434.627 3.816 40 0 IHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(F)cc1 ZINC000223080439 557427708 /nfs/dbraw/zinc/42/77/08/557427708.db2.gz VNCDRSJPEKWNOD-AWEZNQCLSA-N 0 0 437.309 3.520 40 0 IHABRN CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 ZINC000223090993 557429953 /nfs/dbraw/zinc/42/99/53/557429953.db2.gz FLZJMJNCGGOVRR-OAQYLSRUSA-N 0 0 447.576 3.585 40 0 IHABRN O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014106673 557431529 /nfs/dbraw/zinc/43/15/29/557431529.db2.gz JLWNIHZZIRUNSX-HNNXBMFYSA-N 0 0 443.407 3.689 40 0 IHABRN CCCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC ZINC000014291908 557434736 /nfs/dbraw/zinc/43/47/36/557434736.db2.gz GOLATYRQCZUYQM-UHFFFAOYSA-N 0 0 431.341 3.620 40 0 IHABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000014399572 557436797 /nfs/dbraw/zinc/43/67/97/557436797.db2.gz FSAUSIPYIHNWDR-UHFFFAOYSA-N 0 0 445.585 3.627 40 0 IHABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223175414 557441521 /nfs/dbraw/zinc/44/15/21/557441521.db2.gz XILMOCZHGKPYQE-QGZVFWFLSA-N 0 0 428.554 3.756 40 0 IHABRN CCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017479996 557442110 /nfs/dbraw/zinc/44/21/10/557442110.db2.gz FMYMSZSMLFXDAU-UHFFFAOYSA-N 0 0 435.760 3.974 40 0 IHABRN 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WFEXRLQTKGMXNJ-WBVHZDCISA-N 0 0 428.913 3.893 40 0 IHABRN COc1ccc(Cl)cc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccccc1 ZINC000013668621 556549144 /nfs/dbraw/zinc/54/91/44/556549144.db2.gz QOJIUPMWZOFVKB-INIZCTEOSA-N 0 0 436.961 3.802 40 0 IHABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013669040 556549543 /nfs/dbraw/zinc/54/95/43/556549543.db2.gz XUSYIUZFYKLBFV-QGZVFWFLSA-N 0 0 432.586 3.945 40 0 IHABRN CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000013669710 556550729 /nfs/dbraw/zinc/55/07/29/556550729.db2.gz XXTAFMCWKOGMGZ-INIZCTEOSA-N 0 0 446.569 3.746 40 0 IHABRN CCN(c1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1)S(C)(=O)=O ZINC000013679345 556556083 /nfs/dbraw/zinc/55/60/83/556556083.db2.gz JASPAUJTLITZED-UHFFFAOYSA-N 0 0 444.981 3.928 40 0 IHABRN O=C(c1ccccc1I)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000069001790 556564993 /nfs/dbraw/zinc/56/49/93/556564993.db2.gz RHHUCRFIWCAKDN-RMKNXTFCSA-N 0 0 432.305 3.762 40 0 IHABRN 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COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860244 556932672 /nfs/dbraw/zinc/93/26/72/556932672.db2.gz FBKBUBGDBPYMBU-KRWDZBQOSA-N 0 0 436.961 3.838 40 0 IHABRN Cn1cc(C(=O)N2CCC[C@@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)ccc1=O ZINC000072359785 556932883 /nfs/dbraw/zinc/93/28/83/556932883.db2.gz JCIQESQGOOJBRL-MRXNPFEDSA-N 0 0 442.441 3.881 40 0 IHABRN COCCc1ncc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072361465 556933438 /nfs/dbraw/zinc/93/34/38/556933438.db2.gz RQIGATSADGRZHC-SFHVURJKSA-N 0 0 425.562 3.610 40 0 IHABRN CC(C)OCC(=O)N1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370516 556935260 /nfs/dbraw/zinc/93/52/60/556935260.db2.gz APSIXDAKWRRZQI-SFHVURJKSA-N 0 0 444.597 3.722 40 0 IHABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCN1CCCC1=O ZINC000072370773 556936504 /nfs/dbraw/zinc/93/65/04/556936504.db2.gz CKYSMUAGWKKUOB-GOSISDBHSA-N 0 0 441.597 3.587 40 0 IHABRN C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000409060780 556937722 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556955095 /nfs/dbraw/zinc/95/50/95/556955095.db2.gz HUDLLGRGQLKGGZ-HSZRJFAPSA-N 0 0 430.556 3.698 40 0 IHABRN Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000072377234 556956029 /nfs/dbraw/zinc/95/60/29/556956029.db2.gz PKRPZWKZOZJUEG-KRWDZBQOSA-N 0 0 447.948 3.900 40 0 IHABRN COc1ccc(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)c(OC)c1 ZINC000019962717 556956151 /nfs/dbraw/zinc/95/61/51/556956151.db2.gz OOPBZQWUWWPGPS-UHFFFAOYSA-N 0 0 431.427 3.560 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000409111817 556957873 /nfs/dbraw/zinc/95/78/73/556957873.db2.gz CHRNOGKOUWWIOZ-UHFFFAOYSA-N 0 0 444.940 3.879 40 0 IHABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCCC2)CCO1 ZINC000072389189 556959207 /nfs/dbraw/zinc/95/92/07/556959207.db2.gz UZPVMQGHXDUDTK-SANMLTNESA-N 0 0 435.568 3.604 40 0 IHABRN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCCC2)CCO1 ZINC000072389190 556959371 /nfs/dbraw/zinc/95/93/71/556959371.db2.gz UZPVMQGHXDUDTK-AREMUKBSSA-N 0 0 435.568 3.604 40 0 IHABRN CC(C)(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N2CCCC2)C1 ZINC000072389343 556959685 /nfs/dbraw/zinc/95/96/85/556959685.db2.gz NIJXDRLNLHICHL-HHHXNRCGSA-N 0 0 449.595 3.947 40 0 IHABRN CN(C)S(=O)(=O)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N2 ZINC000072389872 556960251 /nfs/dbraw/zinc/96/02/51/556960251.db2.gz SLDXVJQKUBJQLG-QLFBSQMISA-N 0 0 437.532 3.550 40 0 IHABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1Cl ZINC000020013974 556961389 /nfs/dbraw/zinc/96/13/89/556961389.db2.gz FVMKDEKMNOYSFX-CYBMUJFWSA-N 0 0 442.990 3.568 40 0 IHABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn(C)n2)C1 ZINC000072391199 556961858 /nfs/dbraw/zinc/96/18/58/556961858.db2.gz QHEMEOORCAZOSD-DEOSSOPVSA-N 0 0 436.581 3.750 40 0 IHABRN C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000072391478 556961998 /nfs/dbraw/zinc/96/19/98/556961998.db2.gz PPZGMIGGYSUNMK-AWEZNQCLSA-N 0 0 431.949 3.771 40 0 IHABRN 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DHUQPPNPKSDUIK-CABCVRRESA-N 0 0 445.470 3.634 40 0 IHABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OC ZINC000020025257 556967366 /nfs/dbraw/zinc/96/73/66/556967366.db2.gz INVRNMFZCOMVEQ-UHFFFAOYSA-N 0 0 448.522 3.846 40 0 IHABRN CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(OC)c2)C1 ZINC000072395944 556968313 /nfs/dbraw/zinc/96/83/13/556968313.db2.gz DVUTUAFZQHGYKP-SANMLTNESA-N 0 0 447.535 3.951 40 0 IHABRN CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)c2ccncc2)C1 ZINC000072396000 556968578 /nfs/dbraw/zinc/96/85/78/556968578.db2.gz OSNFLXOWNQDVOQ-VWLOTQADSA-N 0 0 432.524 3.646 40 0 IHABRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)cc1 ZINC000409134496 556968677 /nfs/dbraw/zinc/96/86/77/556968677.db2.gz UEZZNTAGTYHTCE-IAGOWNOFSA-N 0 0 437.569 3.584 40 0 IHABRN CCCCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000409136637 556969958 /nfs/dbraw/zinc/96/99/58/556969958.db2.gz XYMXPJJJDJDPMJ-UHFFFAOYSA-N 0 0 425.348 3.561 40 0 IHABRN 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COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000138777169 569254159 /nfs/dbraw/zinc/25/41/59/569254159.db2.gz KFNZPWNTXDWEJU-UHFFFAOYSA-N 0 0 425.268 3.903 40 0 IHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2cccc(Cl)c2)cc1 ZINC000197806426 569255408 /nfs/dbraw/zinc/25/54/08/569255408.db2.gz URDGBMBXMFEPBA-UHFFFAOYSA-N 0 0 443.956 3.551 40 0 IHABRN Cc1ccc(NC(=O)COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000197791609 569255421 /nfs/dbraw/zinc/25/54/21/569255421.db2.gz SHNKHFOLQRABNA-HYARGMPZSA-N 0 0 441.512 3.783 40 0 IHABRN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253499117 569283278 /nfs/dbraw/zinc/28/32/78/569283278.db2.gz PBLXVDNSLUFVHF-LUALKNSESA-N 0 0 446.628 3.944 40 0 biogenic IHABRN CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018153592 569285054 /nfs/dbraw/zinc/28/50/54/569285054.db2.gz RDKFKJJETCYGCY-HJOGWXRNSA-N 0 0 441.487 3.692 40 0 IHABRN 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O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000009510429 569297082 /nfs/dbraw/zinc/29/70/82/569297082.db2.gz CZLNOORALBDGNW-KLICCBINSA-N 0 0 429.303 3.829 40 0 IHABRN Cc1ccc(Cn2c3nnc(CCC(=O)N4CCC(C)CC4)n3c3ccccc3c2=O)cc1 ZINC000009831418 569298244 /nfs/dbraw/zinc/29/82/44/569298244.db2.gz KWHDWGUKROFDAW-UHFFFAOYSA-N 0 0 443.551 3.592 40 0 IHABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000070688019 569315412 /nfs/dbraw/zinc/31/54/12/569315412.db2.gz MGMLBFBCDCPWIV-VRHMIRGMSA-N 0 0 446.628 3.944 40 0 biogenic IHABRN COCc1ccc(C(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cc1 ZINC000019698601 569326912 /nfs/dbraw/zinc/32/69/12/569326912.db2.gz VOJMZOVCLBZDLK-UHFFFAOYSA-N 0 0 444.535 3.683 40 0 IHABRN Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)Cc2ccccn2)CC1 ZINC000019700098 569327011 /nfs/dbraw/zinc/32/70/11/569327011.db2.gz IOPXKRNFXZJHOI-UHFFFAOYSA-N 0 0 427.548 3.936 40 0 IHABRN NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000019700263 569327151 /nfs/dbraw/zinc/32/71/51/569327151.db2.gz MTQJEQJRYYPQNU-UHFFFAOYSA-N 0 0 431.511 3.767 40 0 IHABRN Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019764060 569328868 /nfs/dbraw/zinc/32/88/68/569328868.db2.gz HWTYEBCXZKCKTE-OAQYLSRUSA-N 0 0 446.526 3.803 40 0 IHABRN COCCNC(=O)c1cc([C@@H]2CN(Cc3cccc(C)c3OC)CCO2)nc2ccccc21 ZINC000019762361 569328877 /nfs/dbraw/zinc/32/88/77/569328877.db2.gz OUFZOKBXDMJNPA-DEOSSOPVSA-N 0 0 449.551 3.502 40 0 IHABRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCOc2ccccc2)[C@H](O)C[C@@H]1O ZINC000095704998 569375006 /nfs/dbraw/zinc/37/50/06/569375006.db2.gz FMSITULVBBMLQK-QMEWILTQSA-N 0 0 446.584 3.799 40 0 in-vitro IHABRN COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1OC ZINC000003457218 569451819 /nfs/dbraw/zinc/45/18/19/569451819.db2.gz FCSSGZHTWGRMIP-UHFFFAOYSA-N 0 0 430.551 3.866 40 0 IHABRN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003543211 569453699 /nfs/dbraw/zinc/45/36/99/569453699.db2.gz KSPZJEQGYJZBPC-UHFFFAOYSA-N 0 0 432.889 3.507 40 0 IHABRN O=C(CN1CCC(c2cn3cccc3c(Nc3ccccn3)n2)CC1)Nc1ccccc1F ZINC000585263643 569583403 /nfs/dbraw/zinc/58/34/03/569583403.db2.gz XNHZCXBKNAFAKO-UHFFFAOYSA-N 0 0 444.514 4.430 40 0 IHABRN CC(C)NC(=O)C[C@@H]1c2nc(-c3cccnc3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004260542 291365325 /nfs/dbraw/zinc/36/53/25/291365325.db2.gz WGOSAGKVROWAIZ-LUDSIQSGSA-N 0 0 443.613 3.535 40 0 biogenic,in-vitro IHABRN CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)Nc4ccccc4)CO[C@H]23)cc1 ZINC000003841745 291365783 /nfs/dbraw/zinc/36/57/83/291365783.db2.gz DOCFIJXSTGSQBT-DOIPELPJSA-N 0 0 441.553 3.880 40 0 biogenic,in-vitro IHABRN CC1=C[C@@H](CNC(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 ZINC000030880861 291366130 /nfs/dbraw/zinc/36/61/30/291366130.db2.gz QVTCFMYLOUITJV-FUDKSRODSA-N 0 0 429.580 3.574 40 0 biogenic,in-vitro IHABRN COc1cc2c(cc1OC)CN(C(=O)c1onc(-c3ccc(F)cc3)c1[C@H](C)O)CC2 ZINC000253408641 291369956 /nfs/dbraw/zinc/36/99/56/291369956.db2.gz YKCBQFIOPNAHQX-ZDUSSCGKSA-N 0 0 426.444 3.750 40 0 biogenic,in-vitro IHABRN COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)Nc4ccccc4)O3)no2)cc1 ZINC000077263282 291370213 /nfs/dbraw/zinc/37/02/13/291370213.db2.gz HGSVDJKWRFIRIK-QNWVGRARSA-N 0 0 437.496 3.623 40 0 biogenic,in-vitro IHABRN O=C(N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]12)c1cccc(F)c1 ZINC000008296726 291375029 /nfs/dbraw/zinc/37/50/29/291375029.db2.gz USTFQAQHWUDILW-ICSRJNTNSA-N 0 0 435.480 3.519 40 0 biogenic,in-vitro IHABRN O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12)c1cccs1 ZINC000008296684 291375032 /nfs/dbraw/zinc/37/50/32/291375032.db2.gz PZFPLXKPHGIAQZ-ICSRJNTNSA-N 0 0 435.480 3.519 40 0 biogenic,in-vitro IHABRN Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)c1 ZINC000019761041 193912758 /nfs/dbraw/zinc/91/27/58/193912758.db2.gz VBHXFTRIGRRXMC-INIZCTEOSA-N 0 0 441.528 3.562 40 0 IHABRN COc1cccc(N2CCN(Cc3nc(N)nc(Nc4cccc5ccccc54)n3)CC2)c1 ZINC000054672232 193931809 /nfs/dbraw/zinc/93/18/09/193931809.db2.gz UHSZVCMFTPXFCG-UHFFFAOYSA-N 0 0 441.539 3.681 40 0 IHABRN C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 ZINC000223230808 193954990 /nfs/dbraw/zinc/95/49/90/193954990.db2.gz XCWLZHHMUITVDH-BTYIYWSLSA-N 0 0 432.973 3.859 40 0 IHABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOC(C)C ZINC000223265355 193959329 /nfs/dbraw/zinc/95/93/29/193959329.db2.gz JTZDRZUOOZNMRS-XMMPIXPASA-N 0 0 440.584 3.976 40 0 IHABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408602654 193972198 /nfs/dbraw/zinc/97/21/98/193972198.db2.gz IPGRYOKSLPLKAI-FQEVSTJZSA-N 0 0 444.597 3.768 40 0 IHABRN O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009141176 132227136 /nfs/dbraw/zinc/22/71/36/132227136.db2.gz RTUYVXZGDBSPCZ-XHSDSOJGSA-N 0 0 440.462 3.850 40 0 IHABRN 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433.430 3.835 40 0 IHABRN CSc1ccccc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O ZINC000408617297 555988414 /nfs/dbraw/zinc/98/84/14/555988414.db2.gz ANAKQDPRGSRDNS-UHFFFAOYSA-N 0 0 443.388 3.571 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)cc1 ZINC000408620212 555989393 /nfs/dbraw/zinc/98/93/93/555989393.db2.gz KRBGXQJACCPKOV-UHFFFAOYSA-N 0 0 430.570 3.725 40 0 IHABRN C[C@H](CCc1ccccc1)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000408622319 555991137 /nfs/dbraw/zinc/99/11/37/555991137.db2.gz BWPTZGDPPRAKJJ-CQSZACIVSA-N 0 0 429.369 3.897 40 0 IHABRN COc1ccc(CN(C)C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408623188 555992026 /nfs/dbraw/zinc/99/20/26/555992026.db2.gz DTAJATYHNVYMRV-UHFFFAOYSA-N 0 0 442.512 3.688 40 0 IHABRN O=C(C1CC1)N1CC[C@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1 ZINC000118714272 555995288 /nfs/dbraw/zinc/99/52/88/555995288.db2.gz AQTPWCUIYUOEMG-MRXNPFEDSA-N 0 0 428.492 3.775 40 0 IHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)cc1Cl ZINC000408635965 556014269 /nfs/dbraw/zinc/01/42/69/556014269.db2.gz LJCLKESSTZBMQD-AWEZNQCLSA-N 0 0 440.924 3.917 40 0 IHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccccc2)cc1 ZINC000408635942 556014298 /nfs/dbraw/zinc/01/42/98/556014298.db2.gz KEZBTSAUNCRXPG-UHFFFAOYSA-N 0 0 430.570 3.679 40 0 IHABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1Cl ZINC000408639853 556016701 /nfs/dbraw/zinc/01/67/01/556016701.db2.gz HIEXGAYKIFPDPI-HNNXBMFYSA-N 0 0 440.883 3.569 40 0 IHABRN Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408636396 556019295 /nfs/dbraw/zinc/01/92/95/556019295.db2.gz PNWUYNNFADFEKJ-MRXNPFEDSA-N 0 0 442.459 3.723 40 0 IHABRN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccc(NC(C)=O)c1 ZINC000408636763 556019602 /nfs/dbraw/zinc/01/96/02/556019602.db2.gz BTQKUVAIMJSKMQ-UHFFFAOYSA-N 0 0 425.514 3.663 40 0 IHABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000408637148 556020241 /nfs/dbraw/zinc/02/02/41/556020241.db2.gz FZBUUDBKVIZWMC-UHFFFAOYSA-N 0 0 430.505 3.776 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556330171 /nfs/dbraw/zinc/33/01/71/556330171.db2.gz KHDOOZISOXPXSI-UHFFFAOYSA-N 0 0 430.448 3.672 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000010441579 556334630 /nfs/dbraw/zinc/33/46/30/556334630.db2.gz ADUIQQALPGQBJZ-UHFFFAOYSA-N 0 0 430.526 3.599 40 0 IHABRN Cc1cccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000010447893 556334951 /nfs/dbraw/zinc/33/49/51/556334951.db2.gz KMEVZJMZPYREBJ-UHFFFAOYSA-N 0 0 434.867 3.750 40 0 IHABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010448543 556334967 /nfs/dbraw/zinc/33/49/67/556334967.db2.gz CUXOMALHOQSSGI-UHFFFAOYSA-N 0 0 438.549 3.905 40 0 IHABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)CCn3c4ccccc4oc3=O)C2)n1 ZINC000012088635 556401441 /nfs/dbraw/zinc/40/14/41/556401441.db2.gz CTLOAKCQPMHFKY-IBGZPJMESA-N 0 0 443.507 3.551 40 0 IHABRN O=C(c1cnc(-c2ccc(Cl)cc2)nc1)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000013266133 556501419 /nfs/dbraw/zinc/50/14/19/556501419.db2.gz YSLAMVOBUCZWRR-UHFFFAOYSA-N 0 0 447.926 3.814 40 0 IHABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000031082025 556519174 /nfs/dbraw/zinc/51/91/74/556519174.db2.gz JWJDRGKCBMBSGR-UHFFFAOYSA-N 0 0 430.476 3.519 40 0 IHABRN CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581199 556527684 /nfs/dbraw/zinc/52/76/84/556527684.db2.gz KBQFAZHDBLUTMH-UHFFFAOYSA-N 0 0 435.304 3.790 40 0 IHABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013581610 556527759 /nfs/dbraw/zinc/52/77/59/556527759.db2.gz ZOWFWLILCWFHNG-UHFFFAOYSA-N 0 0 432.542 3.911 40 0 IHABRN COc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032100955 556529113 /nfs/dbraw/zinc/52/91/13/556529113.db2.gz VHBRFUDFECHFTC-QGZVFWFLSA-N 0 0 443.219 3.959 40 0 IHABRN Cc1cc(OCC(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc(C)c1Cl ZINC000032115072 556531562 /nfs/dbraw/zinc/53/15/62/556531562.db2.gz JRLUJHLSSVKPOK-UHFFFAOYSA-N 0 0 433.961 3.685 40 0 IHABRN Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 ZINC000032126330 556535252 /nfs/dbraw/zinc/53/52/52/556535252.db2.gz YEAOJPLUMIKVKD-UHFFFAOYSA-N 0 0 445.504 3.893 40 0 IHABRN COc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000015587191 556536171 /nfs/dbraw/zinc/53/61/71/556536171.db2.gz JGBAUJGHJQFZHM-UHFFFAOYSA-N 0 0 426.897 3.915 40 0 IHABRN COc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OC ZINC000013632181 556539526 /nfs/dbraw/zinc/53/95/26/556539526.db2.gz IQAPCFJUGVTJKL-UHFFFAOYSA-N 0 0 431.485 3.900 40 0 IHABRN Cc1cccc(N2C(=O)C[C@]3(CSc4[nH]c(=O)sc4[C@H]3c3ccccc3O)C2=O)c1 ZINC000032594736 556542089 /nfs/dbraw/zinc/54/20/89/556542089.db2.gz JQFGAWIBJBEFOV-VGOFRKELSA-N 0 0 438.530 3.638 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C ZINC000013647359 556544512 /nfs/dbraw/zinc/54/45/12/556544512.db2.gz AIGRBULVUSJBLS-KRWDZBQOSA-N 0 0 432.542 3.582 40 0 IHABRN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 ZINC000013649422 556545306 /nfs/dbraw/zinc/54/53/06/556545306.db2.gz JCTBJTDCPMYMKA-UHFFFAOYSA-N 0 0 444.553 3.989 40 0 IHABRN CC(=O)c1cccc(N2C(SCc3ccc(C)c(C)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032641103 556545951 /nfs/dbraw/zinc/54/59/51/556545951.db2.gz XYFCYCZBFKYJAL-NHCUHLMSSA-N 0 0 428.579 3.781 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 ZINC000013668546 556548992 /nfs/dbraw/zinc/54/89/92/556548992.db2.gz ADMVCLKPZIFJJE-UHFFFAOYSA-N 0 0 446.569 3.973 40 0 IHABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 ZINC000013669941 556550747 /nfs/dbraw/zinc/55/07/47/556550747.db2.gz PRVGNDBDWPVMIA-HNNXBMFYSA-N 0 0 438.505 3.861 40 0 IHABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000013671276 556552083 /nfs/dbraw/zinc/55/20/83/556552083.db2.gz YNOOSOAHXWPLQN-GOSISDBHSA-N 0 0 444.597 3.804 40 0 IHABRN COC(=O)c1cccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000013672539 556553003 /nfs/dbraw/zinc/55/30/03/556553003.db2.gz KFITWZNSNMXGHO-UHFFFAOYSA-N 0 0 438.505 3.692 40 0 IHABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(C(C)=O)c1 ZINC000068793886 556553234 /nfs/dbraw/zinc/55/32/34/556553234.db2.gz SWTKUVMVFKWMCN-UHFFFAOYSA-N 0 0 430.526 3.715 40 0 IHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2cccc(Cl)c2)cc1 ZINC000013676692 556554407 /nfs/dbraw/zinc/55/44/07/556554407.db2.gz ZKWKDTNNRDNUCZ-INIZCTEOSA-N 0 0 436.961 3.802 40 0 IHABRN CC(=O)Nc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000013679810 556556197 /nfs/dbraw/zinc/55/61/97/556556197.db2.gz KZEJNRXOLHDVJS-UHFFFAOYSA-N 0 0 429.523 3.784 40 0 IHABRN O=C(NCc1ccccc1)[C@H](c1ccccc1F)N(C[C@H]1CCCO1)C(=O)c1ccccn1 ZINC000015935963 556566020 /nfs/dbraw/zinc/56/60/20/556566020.db2.gz OCUNOQAXCJBEFB-YKSBVNFPSA-N 0 0 447.510 3.900 40 0 IHABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000015985516 556571180 /nfs/dbraw/zinc/57/11/80/556571180.db2.gz BOEJOWAISQEJBL-UHFFFAOYSA-N 0 0 444.597 3.680 40 0 IHABRN CCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000016161748 556586272 /nfs/dbraw/zinc/58/62/72/556586272.db2.gz TWWRZWNMWVFOLO-UHFFFAOYSA-N 0 0 425.348 3.661 40 0 IHABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(OC)c1 ZINC000016215568 556591647 /nfs/dbraw/zinc/59/16/47/556591647.db2.gz DBNLCEFKXDEOSJ-UHFFFAOYSA-N 0 0 442.493 3.522 40 0 IHABRN COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3c(=O)[nH]2)cc(OC)c1OC ZINC000036626606 556598856 /nfs/dbraw/zinc/59/88/56/556598856.db2.gz POXZTYIRTFLIAO-UHFFFAOYSA-N 0 0 431.448 3.868 40 0 IHABRN O=C(NCc1ccncc1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000036627487 556598871 /nfs/dbraw/zinc/59/88/71/556598871.db2.gz VCWSROKTCLSREZ-UHFFFAOYSA-N 0 0 438.075 3.643 40 0 IHABRN O=C(NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2ccccc2c1)OCc1ccccc1 ZINC000016480292 556611337 /nfs/dbraw/zinc/61/13/37/556611337.db2.gz YVMWGYRWDXZYLQ-JOCHJYFZSA-N 0 0 431.492 3.696 40 0 IHABRN O=c1c2ccccc2nc(CSC2=N[C@@H]3C=Cc4nsnc4[C@@H]3N2)n1-c1ccccc1 ZINC000016523707 556613791 /nfs/dbraw/zinc/61/37/91/556613791.db2.gz BUXPXDMKAZUHKZ-VQIMIIECSA-N 0 0 444.545 3.566 40 0 IHABRN CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000038756616 556618285 /nfs/dbraw/zinc/61/82/85/556618285.db2.gz IWWDRLALQRGHSC-FQEVSTJZSA-N 0 0 438.977 3.988 40 0 IHABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)C=Cc2ccco2)cc1 ZINC000016687817 556625758 /nfs/dbraw/zinc/62/57/58/556625758.db2.gz JWUQTBBCOJTKLP-MDZDMXLPSA-N 0 0 435.505 3.972 40 0 IHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000039985457 556631816 /nfs/dbraw/zinc/63/18/16/556631816.db2.gz UBYRNAXKGFSANZ-UHFFFAOYSA-N 0 0 438.549 3.660 40 0 IHABRN CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985433 556631906 /nfs/dbraw/zinc/63/19/06/556631906.db2.gz NRSLMQBVUUDERF-UHFFFAOYSA-N 0 0 447.340 3.660 40 0 IHABRN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000016740460 556634668 /nfs/dbraw/zinc/63/46/68/556634668.db2.gz FYCCNFMBFQTKSG-UHFFFAOYSA-N 0 0 432.505 3.799 40 0 IHABRN COCc1nn2c(nnc(C(=O)Nc3ccccc3C)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000040372679 556635445 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40 0 IHABRN C[C@H](Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000408588323 555938798 /nfs/dbraw/zinc/93/87/98/555938798.db2.gz FOQWYLKMURYKFE-SFHVURJKSA-N 0 0 430.570 3.724 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCc1ccccc1 ZINC000408586792 555939415 /nfs/dbraw/zinc/93/94/15/555939415.db2.gz BWEGTGOVMBZHCW-UHFFFAOYSA-N 0 0 430.913 3.836 40 0 IHABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000408588547 555940755 /nfs/dbraw/zinc/94/07/55/555940755.db2.gz GREGECAIFUGYDF-ZDUSSCGKSA-N 0 0 441.347 3.542 40 0 IHABRN CC1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)CC1 ZINC000408590094 555947164 /nfs/dbraw/zinc/94/71/64/555947164.db2.gz JCTPFRDDVWXADQ-UHFFFAOYSA-N 0 0 440.924 3.917 40 0 IHABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000408590054 555947181 /nfs/dbraw/zinc/94/71/81/555947181.db2.gz IVBVTQOUBLMGIU-ZDUSSCGKSA-N 0 0 445.368 3.764 40 0 IHABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1c(F)cccc1F ZINC000408590990 555950937 /nfs/dbraw/zinc/95/09/37/555950937.db2.gz IHZJCZUPGRBSSO-UHFFFAOYSA-N 0 0 444.887 3.857 40 0 IHABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592286 555953608 /nfs/dbraw/zinc/95/36/08/555953608.db2.gz JULMLEFZFQLZRV-CXAGYDPISA-N 0 0 429.369 3.798 40 0 IHABRN COc1ccc(CN(C)S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408592828 555954273 /nfs/dbraw/zinc/95/42/73/555954273.db2.gz OUZDUIYXQRVHER-UHFFFAOYSA-N 0 0 431.558 3.924 40 0 IHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(F)cccc2F)C1 ZINC000408591347 555954881 /nfs/dbraw/zinc/95/48/81/555954881.db2.gz LGGROQXYTNUDGU-LBPRGKRZSA-N 0 0 444.887 3.666 40 0 IHABRN C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408598290 555956903 /nfs/dbraw/zinc/95/69/03/555956903.db2.gz YUFPKCVDTGHJCL-YKSBVNFPSA-N 0 0 436.577 3.714 40 0 IHABRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408596099 555962797 /nfs/dbraw/zinc/96/27/97/555962797.db2.gz REFBGWABGRSCPV-INIZCTEOSA-N 0 0 429.369 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ZINC000408619079 555982796 /nfs/dbraw/zinc/98/27/96/555982796.db2.gz LUIPIACDDZJPRG-UHFFFAOYSA-N 0 0 432.542 3.665 40 0 IHABRN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1=O ZINC000408614952 555985832 /nfs/dbraw/zinc/98/58/32/555985832.db2.gz KCZPMQKCLXGBKB-NRFANRHFSA-N 0 0 441.531 3.959 40 0 IHABRN CCCCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000408617315 555988334 /nfs/dbraw/zinc/98/83/34/555988334.db2.gz GDJNNMKSBWDDPD-UHFFFAOYSA-N 0 0 432.542 3.665 40 0 IHABRN COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NC1CCCCC1 ZINC000408625620 555996262 /nfs/dbraw/zinc/99/62/62/555996262.db2.gz WJVZLIWEXRWYGS-UHFFFAOYSA-N 0 0 444.597 3.686 40 0 IHABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000408628325 555998985 /nfs/dbraw/zinc/99/89/85/555998985.db2.gz WUYFXWSHKOYXGK-UHFFFAOYSA-N 0 0 426.922 3.541 40 0 IHABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3)CC2=O)cc1 ZINC000408638635 556015855 /nfs/dbraw/zinc/01/58/55/556015855.db2.gz CVLAHZYLUAOREN-BULFRSBZSA-N 0 0 446.503 3.633 40 0 IHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000408636204 556019017 /nfs/dbraw/zinc/01/90/17/556019017.db2.gz YIJIULAUZUKBLT-UHFFFAOYSA-N 0 0 430.448 3.720 40 0 IHABRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)CCCC2=O)cc1 ZINC000408643141 556023359 /nfs/dbraw/zinc/02/33/59/556023359.db2.gz FPQROUVNKUKGAA-AWEZNQCLSA-N 0 0 428.872 3.516 40 0 IHABRN Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c1ccccc1 ZINC000408643451 556023961 /nfs/dbraw/zinc/02/39/61/556023961.db2.gz BBCRUNSNKCFUQO-HNNXBMFYSA-N 0 0 447.329 3.897 40 0 IHABRN O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408649043 556025683 /nfs/dbraw/zinc/02/56/83/556025683.db2.gz ZFPJPDROEVSKIX-HNNXBMFYSA-N 0 0 444.418 3.585 40 0 IHABRN O=C1[C@@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408649485 556025831 /nfs/dbraw/zinc/02/58/31/556025831.db2.gz DRPRLNNGIYDTSZ-IERYTOKVSA-N 0 0 428.315 3.759 40 0 IHABRN 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Cc1c2cc(F)ccc2[nH]c1C(=O)N(C)Cc1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 ZINC000019698063 556855907 /nfs/dbraw/zinc/85/59/07/556855907.db2.gz DGGVBZVVFPVVFE-UHFFFAOYSA-N 0 0 435.503 3.675 40 0 IHABRN CNc1cc(C(=O)N2CCC([C@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)ccn1 ZINC000019698546 556856911 /nfs/dbraw/zinc/85/69/11/556856911.db2.gz WNHIUGORNQMJHD-HSZRJFAPSA-N 0 0 448.567 3.589 40 0 IHABRN O=C(COc1ccc(CNc2cccc([C@@H]3CCc4nncn4C3)c2)cc1)N1CCCC1 ZINC000019699116 556858377 /nfs/dbraw/zinc/85/83/77/556858377.db2.gz SAGIVXBOQVLBRC-OAQYLSRUSA-N 0 0 431.540 3.621 40 0 IHABRN Cc1nc(C2CCN(C(=O)c3cnn(C)c3)CC2)nc2c1CCCN2CCc1ccccc1 ZINC000019705675 556862731 /nfs/dbraw/zinc/86/27/31/556862731.db2.gz BAXFMQXZDDXEAR-UHFFFAOYSA-N 0 0 444.583 3.534 40 0 IHABRN Cc1nc(C2CCN(C(=O)c3ccccn3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019705710 556862832 /nfs/dbraw/zinc/86/28/32/556862832.db2.gz PUDKRNGPPPJBHK-UHFFFAOYSA-N 0 0 428.540 3.548 40 0 IHABRN Cc1nc([C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)nc2c1CCCN2CC1CC1 ZINC000019706917 556865636 /nfs/dbraw/zinc/86/56/36/556865636.db2.gz FBBLYWUQVDLNIW-HXUWFJFHSA-N 0 0 444.583 3.704 40 0 IHABRN CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN(C(=O)C3(c4ccccc4)CCCC3)C2)n1 ZINC000019709768 556871157 /nfs/dbraw/zinc/87/11/57/556871157.db2.gz UBTCJEMNGWLWBW-FQEVSTJZSA-N 0 0 449.599 3.715 40 0 IHABRN CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)n1 ZINC000019709926 556871679 /nfs/dbraw/zinc/87/16/79/556871679.db2.gz PRAULCLEGMVUNP-FQEVSTJZSA-N 0 0 449.555 3.943 40 0 IHABRN O=c1/c(=C/c2cc(Br)c(N3CCCCC3)o2)sc2nc3ccccc3n12 ZINC000408859878 556872169 /nfs/dbraw/zinc/87/21/69/556872169.db2.gz UQPCLCGXTDYZIF-WJDWOHSUSA-N 0 0 430.327 3.803 40 0 IHABRN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC ZINC000408864905 556873053 /nfs/dbraw/zinc/87/30/53/556873053.db2.gz AHIDFKJYSFTJFT-WQRHYEAKSA-N 0 0 430.457 3.908 40 0 IHABRN CC(=O)N1CCc2nc([C@H]3CCCCN3Cc3ccccc3Cl)nc(N(C)C)c2C1 ZINC000019710432 556873161 /nfs/dbraw/zinc/87/31/61/556873161.db2.gz HBVUZAYBQMMHPS-OAQYLSRUSA-N 0 0 427.980 3.828 40 0 IHABRN COC(C)(C)C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019741100 556882516 /nfs/dbraw/zinc/88/25/16/556882516.db2.gz CFZMYELSHOVYBL-HXUWFJFHSA-N 0 0 436.556 3.743 40 0 IHABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(C2CC2)C(=O)CC3)cc1C ZINC000019741159 556882916 /nfs/dbraw/zinc/88/29/16/556882916.db2.gz OGPFGBPTSOVOHB-OAQYLSRUSA-N 0 0 448.567 3.840 40 0 IHABRN Cc1cc(CCCC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1F ZINC000019741506 556883993 /nfs/dbraw/zinc/88/39/93/556883993.db2.gz FNIDSJNAPJYXDL-IBGZPJMESA-N 0 0 438.547 3.870 40 0 IHABRN Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4Cc4cnn(C)c4)nc32)cc1 ZINC000019741901 556885187 /nfs/dbraw/zinc/88/51/87/556885187.db2.gz UMQSOAVOORXNDK-QFIPXVFZSA-N 0 0 430.556 3.643 40 0 IHABRN COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCCN3C3CCOCC3)nc21 ZINC000019741887 556885214 /nfs/dbraw/zinc/88/52/14/556885214.db2.gz DXICCHKBMASKOM-OAQYLSRUSA-N 0 0 436.556 3.589 40 0 IHABRN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000408908205 556886773 /nfs/dbraw/zinc/88/67/73/556886773.db2.gz VHSOLQUMIZUIQZ-UHFFFAOYSA-N 0 0 426.494 3.822 40 0 IHABRN CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000071980618 556890015 /nfs/dbraw/zinc/89/00/15/556890015.db2.gz QWBUUFVGHVPCJX-QFIPXVFZSA-N 0 0 436.552 3.902 40 0 IHABRN C[C@@]1(C2CCN(C(=O)c3ccc(N)nc3)CC2)CCCCN(CCc2ccccc2)C1=O ZINC000019744854 556891404 /nfs/dbraw/zinc/89/14/04/556891404.db2.gz LWNLZDLSLVSQEV-SANMLTNESA-N 0 0 434.584 3.778 40 0 IHABRN CN(C[C@H]1COc2ccccc2O1)C(=O)CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000019748737 556893265 /nfs/dbraw/zinc/89/32/65/556893265.db2.gz PRZXPXQATRFIEK-NRFANRHFSA-N 0 0 428.573 3.884 40 0 IHABRN CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000019752883 556896523 /nfs/dbraw/zinc/89/65/23/556896523.db2.gz LQUMSNJVMCLQAQ-QFIPXVFZSA-N 0 0 437.588 3.694 40 0 IHABRN Cc1nccn1CCCC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 ZINC000019755314 556898606 /nfs/dbraw/zinc/89/86/06/556898606.db2.gz QNTPLTMNTXHBDD-NRFANRHFSA-N 0 0 432.528 3.686 40 0 IHABRN Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2C(C)C)ncc1C(=O)N1CCCC1 ZINC000019755944 556899194 /nfs/dbraw/zinc/89/91/94/556899194.db2.gz CVHTTWVKCIZNMV-OAQYLSRUSA-N 0 0 436.556 3.887 40 0 IHABRN CCOCc1cc(CN2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)ccc1OC ZINC000019756146 556899785 /nfs/dbraw/zinc/89/97/85/556899785.db2.gz FJOQCZPHYDRQHR-QFIPXVFZSA-N 0 0 438.572 3.903 40 0 IHABRN Cc1ncsc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000019756371 556899922 /nfs/dbraw/zinc/89/99/22/556899922.db2.gz IQLKFJDDJYEJHR-UHFFFAOYSA-N 0 0 441.532 3.671 40 0 IHABRN CCc1cc(C(=O)N2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)on1 ZINC000019757059 556901208 /nfs/dbraw/zinc/90/12/08/556901208.db2.gz WQBRGMAUTJQDBO-UHFFFAOYSA-N 0 0 437.475 3.513 40 0 IHABRN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000019757150 556901431 /nfs/dbraw/zinc/90/14/31/556901431.db2.gz DKCWQLQOQFVZTM-UHFFFAOYSA-N 0 0 445.523 3.536 40 0 IHABRN Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)C[C@@H]3CCCCO3)CC2)n1 ZINC000019758627 556902404 /nfs/dbraw/zinc/90/24/04/556902404.db2.gz GSWSKSAJAOCKGS-FQEVSTJZSA-N 0 0 442.535 3.552 40 0 IHABRN CCn1c(CN2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc2ccccc21 ZINC000019759570 556903025 /nfs/dbraw/zinc/90/30/25/556903025.db2.gz GMLGPBFWZYPASI-XMMPIXPASA-N 0 0 443.551 3.880 40 0 IHABRN NC(=O)c1cc([C@@H]2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)nc2ccccc21 ZINC000019759537 556903198 /nfs/dbraw/zinc/90/31/98/556903198.db2.gz ZQBLWHMOTPKNHD-QHCPKHFHSA-N 0 0 447.510 3.885 40 0 IHABRN Cn1ccc(C(=O)N2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)n1 ZINC000072327349 556904348 /nfs/dbraw/zinc/90/43/48/556904348.db2.gz SVTHVVVKACSDBF-HSZRJFAPSA-N 0 0 437.931 3.580 40 0 IHABRN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000408973757 556904895 /nfs/dbraw/zinc/90/48/95/556904895.db2.gz BLKLUCKVZIRVHZ-UHFFFAOYSA-N 0 0 449.326 3.872 40 0 IHABRN CCN1CC[C@]2(C[C@H](NC(=O)c3ccc4[nH]c(C)nc4c3)c3ccccc3O2)CCC1=O ZINC000072327839 556904931 /nfs/dbraw/zinc/90/49/31/556904931.db2.gz XBJRYFWVSJHDDF-OFVILXPXSA-N 0 0 432.524 3.896 40 0 IHABRN CCN1CC[C@@]2(C[C@H](NC(=O)c3ccc4[nH]c(C)nc4c3)c3ccccc3O2)CCC1=O ZINC000072327840 556904946 /nfs/dbraw/zinc/90/49/46/556904946.db2.gz XBJRYFWVSJHDDF-SQJMNOBHSA-N 0 0 432.524 3.896 40 0 IHABRN COc1cc(/C=c2\sc3nc4c(ccc(C)c4C)n3c2=O)cc(Cl)c1OC(C)=O ZINC000408976282 556906238 /nfs/dbraw/zinc/90/62/38/556906238.db2.gz QIIWDILGBJYARQ-MFOYZWKCSA-N 0 0 428.897 3.661 40 0 IHABRN CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccn2Cc2ccccc2F)C3)CC1 ZINC000072335649 556908402 /nfs/dbraw/zinc/90/84/02/556908402.db2.gz HUVXGZGHHJQOMZ-UHFFFAOYSA-N 0 0 435.547 3.966 40 0 IHABRN Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N4CCCCC4)CC3)c(=O)c2c1C ZINC000072335681 556908498 /nfs/dbraw/zinc/90/84/98/556908498.db2.gz BOZWMFLXVYUZOQ-UHFFFAOYSA-N 0 0 428.602 3.602 40 0 IHABRN Cn1c(=O)c2c(-c3ccc(Cl)c(Cl)c3)c3c(nc2n(C)c1=O)-c1ccccc1[C@H]3O ZINC000408978708 556908574 /nfs/dbraw/zinc/90/85/74/556908574.db2.gz AQRAAFXVDXERIP-LJQANCHMSA-N 0 0 440.286 3.668 40 0 IHABRN Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3cncc(O)c3)CC2)on1 ZINC000072335873 556908813 /nfs/dbraw/zinc/90/88/13/556908813.db2.gz JFATUASAZQJQKM-UHFFFAOYSA-N 0 0 448.527 3.551 40 0 IHABRN CC[C@@H](C)NC(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 ZINC000072336028 556909113 /nfs/dbraw/zinc/90/91/13/556909113.db2.gz SWRMGITZLXRZBG-MRXNPFEDSA-N 0 0 427.593 3.921 40 0 IHABRN c1coc(-c2nc(NC[C@@H](c3ccccc3)N3CCOCC3)ncc2-c2cnccn2)c1 ZINC000072338711 556911152 /nfs/dbraw/zinc/91/11/52/556911152.db2.gz NUIJQJZDXISNCM-NRFANRHFSA-N 0 0 428.496 3.679 40 0 IHABRN Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000072340585 556912497 /nfs/dbraw/zinc/91/24/97/556912497.db2.gz KMJCUMMQRTUYFL-OAQYLSRUSA-N 0 0 448.464 3.982 40 0 IHABRN COC(=O)c1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340937 556913058 /nfs/dbraw/zinc/91/30/58/556913058.db2.gz WCYKYFQGVHXASI-INIZCTEOSA-N 0 0 446.429 3.863 40 0 IHABRN COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340936 556913108 /nfs/dbraw/zinc/91/31/08/556913108.db2.gz WCYKYFQGVHXASI-MRXNPFEDSA-N 0 0 446.429 3.863 40 0 IHABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)NCc3ccco3)C(=O)N1CC2 ZINC000072342040 556914400 /nfs/dbraw/zinc/91/44/00/556914400.db2.gz UFTJOAGSACFMFE-XMMPIXPASA-N 0 0 447.491 3.501 40 0 IHABRN COc1ccc(C(=O)N2CCC[C@H](n3cnc4cc(F)ccc43)C2)cc1Cn1cccn1 ZINC000072342104 556914600 /nfs/dbraw/zinc/91/46/00/556914600.db2.gz CGTDLBFRQUKIQG-FQEVSTJZSA-N 0 0 433.487 3.906 40 0 IHABRN Cc1cccc(NC(=O)COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000409006325 556916138 /nfs/dbraw/zinc/91/61/38/556916138.db2.gz IRHRUXVQEPBHIF-HYARGMPZSA-N 0 0 441.512 3.783 40 0 IHABRN CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cncc(N)c2)CC1 ZINC000072345292 556916742 /nfs/dbraw/zinc/91/67/42/556916742.db2.gz NIIZRYWTIRULHM-UHFFFAOYSA-N 0 0 442.563 3.884 40 0 IHABRN CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)CCn4ncc5ccccc54)C3)c(=O)c12 ZINC000072347739 556918983 /nfs/dbraw/zinc/91/89/83/556918983.db2.gz PZGGTPPKKVJOOH-SFHVURJKSA-N 0 0 449.580 3.932 40 0 IHABRN O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349724 556919672 /nfs/dbraw/zinc/91/96/72/556919672.db2.gz QQHMDSXZACHZMR-IBGZPJMESA-N 0 0 447.501 3.729 40 0 IHABRN COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(OC)cc2OC)C4)cc1 ZINC000019816929 556919936 /nfs/dbraw/zinc/91/99/36/556919936.db2.gz IFCPGEZCUHTOMM-OAHLLOKOSA-N 0 0 430.464 3.730 40 0 IHABRN CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4cccc(OC)c4)n3)C2)c1C ZINC000072350176 556920377 /nfs/dbraw/zinc/92/03/77/556920377.db2.gz QALBUJKXJXIQIK-LJQANCHMSA-N 0 0 440.569 3.850 40 0 IHABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 ZINC000019818363 556921192 /nfs/dbraw/zinc/92/11/92/556921192.db2.gz JYFICJGJWVHNNI-FGZHOGPDSA-N 0 0 435.524 3.751 40 0 IHABRN CC(=O)c1cccc(-c2ccc(C=C3NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)o2)c1 ZINC000409016238 556921321 /nfs/dbraw/zinc/92/13/21/556921321.db2.gz FSYVOFCOHVUKGH-FYJGNVAPSA-N 0 0 443.459 3.989 40 0 IHABRN O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000409021351 556922497 /nfs/dbraw/zinc/92/24/97/556922497.db2.gz CQIOHUCHAVVTBI-UHFFFAOYSA-N 0 0 429.923 3.680 40 0 IHABRN O=C(c1csc2c1CCCC2)N1CCNC(=O)[C@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000072351867 556922580 /nfs/dbraw/zinc/92/25/80/556922580.db2.gz RSDPJGQZWGRLEL-JOCHJYFZSA-N 0 0 431.561 3.872 40 0 IHABRN COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000072352417 556924237 /nfs/dbraw/zinc/92/42/37/556924237.db2.gz JVWRKEYWWVEIRH-KRWDZBQOSA-N 0 0 440.540 3.975 40 0 IHABRN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000072352516 556924441 /nfs/dbraw/zinc/92/44/41/556924441.db2.gz PRYLMMBIKBEAHN-IBGZPJMESA-N 0 0 428.529 3.990 40 0 IHABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000072354132 556929157 /nfs/dbraw/zinc/92/91/57/556929157.db2.gz ABMOQNGVEDWGNS-LJQANCHMSA-N 0 0 436.943 3.748 40 0 IHABRN CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)cc1C(F)(F)F ZINC000072356213 556931022 /nfs/dbraw/zinc/93/10/22/556931022.db2.gz UWUNGRBTHYTZDC-IBGZPJMESA-N 0 0 439.409 3.618 40 0 IHABRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000409061043 556933888 /nfs/dbraw/zinc/93/38/88/556933888.db2.gz ZSIUGMHNQVLIHY-STZFKDTASA-N 0 0 432.501 3.996 40 0 IHABRN Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 ZINC000019866663 556934706 /nfs/dbraw/zinc/93/47/06/556934706.db2.gz MEKPSSJXHILLCA-NRFANRHFSA-N 0 0 449.016 3.939 40 0 IHABRN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019867974 556935032 /nfs/dbraw/zinc/93/50/32/556935032.db2.gz GWISYSJSDQCYKH-UHFFFAOYSA-N 0 0 441.380 3.852 40 0 IHABRN NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000072370476 556934990 /nfs/dbraw/zinc/93/49/90/556934990.db2.gz LNYXFQRYUGKDJW-LLVKDONJSA-N 0 0 436.459 3.980 40 0 IHABRN CC1=NN(CCC(=O)N2CCCC[C@@H]2Cc2c3ccccc3sc2C(=O)N(C)C)CC1 ZINC000072370603 556935758 /nfs/dbraw/zinc/93/57/58/556935758.db2.gz UHEARBDGSGJLAA-GOSISDBHSA-N 0 0 440.613 3.998 40 0 IHABRN Cc1n[nH]cc1C(=O)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371442 556938569 /nfs/dbraw/zinc/93/85/69/556938569.db2.gz OCPDPRGJZYPSTG-CQSZACIVSA-N 0 0 433.434 3.711 40 0 IHABRN O=C(CCn1cccn1)N1CC[C@H](c2cc(CCOc3ccccc3C(F)(F)F)n[nH]2)C1 ZINC000072371518 556939515 /nfs/dbraw/zinc/93/95/15/556939515.db2.gz RONYRZVYROIJHE-INIZCTEOSA-N 0 0 447.461 3.653 40 0 IHABRN Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 ZINC000072372903 556944983 /nfs/dbraw/zinc/94/49/83/556944983.db2.gz FMUAWVVWMMNIMB-QHCPKHFHSA-N 0 0 444.583 3.800 40 0 IHABRN COc1ccc(CC[C@H](C)Nc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)cc1 ZINC000072373236 556945720 /nfs/dbraw/zinc/94/57/20/556945720.db2.gz AHFZYJUJGLFACL-KRWDZBQOSA-N 0 0 429.524 3.985 40 0 IHABRN CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929705 556947721 /nfs/dbraw/zinc/94/77/21/556947721.db2.gz 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