smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000000824673 551544706 /nfs/dbraw/zinc/54/47/06/551544706.db2.gz BLAATVRAIPYQGN-XPWALMASSA-N 0 0 530.374 4.448 40 10 KICBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 ZINC000000832871 551546558 /nfs/dbraw/zinc/54/65/58/551546558.db2.gz DAIYGQLBCFNHPU-UHFFFAOYSA-N 0 0 501.112 4.134 40 10 KICBRN COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1OC ZINC000000844585 551548020 /nfs/dbraw/zinc/54/80/20/551548020.db2.gz XELDITCAKQZYMP-ZLNRFVROSA-N 0 0 562.372 4.161 40 10 KICBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 ZINC000000887356 551559523 /nfs/dbraw/zinc/55/95/23/551559523.db2.gz LEQKKECXYYPIQQ-GDLZYMKVSA-N 0 0 555.658 4.374 40 10 KICBRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000000887362 551559512 /nfs/dbraw/zinc/55/95/12/551559512.db2.gz VLAQRCBJAXWYJK-HKBQPEDESA-N 0 0 595.704 4.272 40 10 KICBRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3ccc(N(C)C)cc3)n2)cc1 ZINC000000887364 551559457 /nfs/dbraw/zinc/55/94/57/551559457.db2.gz VLAQRCBJAXWYJK-WJOKGBTCSA-N 0 0 595.704 4.272 40 10 KICBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 ZINC000000887486 551559894 /nfs/dbraw/zinc/55/98/94/551559894.db2.gz IVNDREVMORSSHY-NDEPHWFRSA-N 0 0 559.646 4.357 40 10 KICBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 ZINC000000887488 551559914 /nfs/dbraw/zinc/55/99/14/551559914.db2.gz IVNDREVMORSSHY-MUUNZHRXSA-N 0 0 559.646 4.357 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000902115 551565447 /nfs/dbraw/zinc/56/54/47/551565447.db2.gz XOAUZCIIPDRPFL-JGCGQSQUSA-N 0 0 596.688 4.220 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cnc2ccccc2c1)[C@H](C(=O)NC1CCCC1)c1ccc(O)c(O)c1 ZINC000000902565 551565970 /nfs/dbraw/zinc/56/59/70/551565970.db2.gz SDXHNQYAENTLER-LJAQVGFWSA-N 0 0 536.592 4.224 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cnc2ccccc2c1)[C@@H](C(=O)NC1CCCC1)c1ccc(O)c(O)c1 ZINC000000902569 551565952 /nfs/dbraw/zinc/56/59/52/551565952.db2.gz SDXHNQYAENTLER-GDLZYMKVSA-N 0 0 536.592 4.224 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc(Br)cc1)[C@H](C(=O)NC1CCCC1)c1ccc(O)c(O)c1 ZINC000000902578 551565966 /nfs/dbraw/zinc/56/59/66/551565966.db2.gz WNLXIBQDCNZKIH-SANMLTNESA-N 0 0 564.440 4.438 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc(Br)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc(O)c(O)c1 ZINC000000902579 551565973 /nfs/dbraw/zinc/56/59/73/551565973.db2.gz WNLXIBQDCNZKIH-AREMUKBSSA-N 0 0 564.440 4.438 40 10 KICBRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000000902607 551565917 /nfs/dbraw/zinc/56/59/17/551565917.db2.gz OAMCIRXIUWXSQU-NDEPHWFRSA-N 0 0 513.598 4.374 40 10 KICBRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000000902610 551565933 /nfs/dbraw/zinc/56/59/33/551565933.db2.gz OAMCIRXIUWXSQU-MUUNZHRXSA-N 0 0 513.598 4.374 40 10 KICBRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000000902612 551565980 /nfs/dbraw/zinc/56/59/80/551565980.db2.gz FRCFLDRVESLZRB-NDEPHWFRSA-N 0 0 529.597 4.075 40 10 KICBRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000000902614 551565931 /nfs/dbraw/zinc/56/59/31/551565931.db2.gz FRCFLDRVESLZRB-MUUNZHRXSA-N 0 0 529.597 4.075 40 10 KICBRN CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000000902649 551565990 /nfs/dbraw/zinc/56/59/90/551565990.db2.gz XBMPYXDFVCLSJD-LJAQVGFWSA-N 0 0 541.608 4.269 40 10 KICBRN CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000000902651 551565946 /nfs/dbraw/zinc/56/59/46/551565946.db2.gz XBMPYXDFVCLSJD-GDLZYMKVSA-N 0 0 541.608 4.269 40 10 KICBRN CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000000902653 551565985 /nfs/dbraw/zinc/56/59/85/551565985.db2.gz LSKPQFIVZIYZRG-LJAQVGFWSA-N 0 0 571.634 4.243 40 10 KICBRN CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000000902655 551566194 /nfs/dbraw/zinc/56/61/94/551566194.db2.gz LSKPQFIVZIYZRG-GDLZYMKVSA-N 0 0 571.634 4.243 40 10 KICBRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1 ZINC000000902658 551566138 /nfs/dbraw/zinc/56/61/38/551566138.db2.gz ZWMCHDQDMOHLDX-NDEPHWFRSA-N 0 0 529.597 4.075 40 10 KICBRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1 ZINC000000902660 551566189 /nfs/dbraw/zinc/56/61/89/551566189.db2.gz ZWMCHDQDMOHLDX-MUUNZHRXSA-N 0 0 529.597 4.075 40 10 KICBRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1OC ZINC000000902663 551566123 /nfs/dbraw/zinc/56/61/23/551566123.db2.gz DZCRYYIBLOIKTB-LJAQVGFWSA-N 0 0 559.623 4.083 40 10 KICBRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1OC ZINC000000902666 551566164 /nfs/dbraw/zinc/56/61/64/551566164.db2.gz DZCRYYIBLOIKTB-GDLZYMKVSA-N 0 0 559.623 4.083 40 10 KICBRN COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1 ZINC000000902668 551566168 /nfs/dbraw/zinc/56/61/68/551566168.db2.gz FWJMGZRRDFLSFL-LJAQVGFWSA-N 0 0 559.623 4.083 40 10 KICBRN COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1 ZINC000000902671 551566176 /nfs/dbraw/zinc/56/61/76/551566176.db2.gz FWJMGZRRDFLSFL-GDLZYMKVSA-N 0 0 559.623 4.083 40 10 KICBRN Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)c1 ZINC000000902674 551566120 /nfs/dbraw/zinc/56/61/20/551566120.db2.gz YCDCWNIEBAGVLH-NDEPHWFRSA-N 0 0 513.598 4.293 40 10 KICBRN Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)c1 ZINC000000902675 551566204 /nfs/dbraw/zinc/56/62/04/551566204.db2.gz YCDCWNIEBAGVLH-MUUNZHRXSA-N 0 0 513.598 4.293 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000000902681 551566200 /nfs/dbraw/zinc/56/62/00/551566200.db2.gz IBRHDOPJQAUIHN-MHZLTWQESA-N 0 0 517.561 4.205 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000000902684 551566132 /nfs/dbraw/zinc/56/61/32/551566132.db2.gz IBRHDOPJQAUIHN-HHHXNRCGSA-N 0 0 517.561 4.205 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000000902687 551566226 /nfs/dbraw/zinc/56/62/26/551566226.db2.gz WFKHOFOZQMGJNJ-NDEPHWFRSA-N 0 0 513.598 4.062 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000000902689 551566212 /nfs/dbraw/zinc/56/62/12/551566212.db2.gz WFKHOFOZQMGJNJ-MUUNZHRXSA-N 0 0 513.598 4.062 40 10 KICBRN O=C(Cn1nnc2ccccc21)N([C@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1)C1CCCCC1 ZINC000000902696 551566230 /nfs/dbraw/zinc/56/62/30/551566230.db2.gz AHPPDAWTVMEXJJ-MHZLTWQESA-N 0 0 505.619 4.194 40 10 KICBRN O=C(Cn1nnc2ccccc21)N([C@@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1)C1CCCCC1 ZINC000000902698 551566143 /nfs/dbraw/zinc/56/61/43/551566143.db2.gz AHPPDAWTVMEXJJ-HHHXNRCGSA-N 0 0 505.619 4.194 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905914 551567392 /nfs/dbraw/zinc/56/73/92/551567392.db2.gz XRFGPASIKWGDLY-PMERELPUSA-N 0 0 556.667 4.080 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905915 551567311 /nfs/dbraw/zinc/56/73/11/551567311.db2.gz XRFGPASIKWGDLY-SSEXGKCCSA-N 0 0 556.667 4.080 40 10 KICBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 ZINC000000906015 551567623 /nfs/dbraw/zinc/56/76/23/551567623.db2.gz OGDOFDZZTRXXMC-HKBQPEDESA-N 0 0 568.678 4.445 40 10 KICBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 ZINC000000906016 551567697 /nfs/dbraw/zinc/56/76/97/551567697.db2.gz OGDOFDZZTRXXMC-WJOKGBTCSA-N 0 0 568.678 4.445 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cnc2ccccc2c1)[C@@H](C(=O)NCc1ccccc1)c1ccc(O)c(O)c1 ZINC000000906304 551569053 /nfs/dbraw/zinc/56/90/53/551569053.db2.gz YGECADKLNRDFJL-WJOKGBTCSA-N 0 0 558.598 4.482 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cnc2ccccc2c1)[C@H](C(=O)NCc1ccccc1)c1ccc(O)c(O)c1 ZINC000000906305 551569119 /nfs/dbraw/zinc/56/91/19/551569119.db2.gz YGECADKLNRDFJL-HKBQPEDESA-N 0 0 558.598 4.482 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000000906322 551569062 /nfs/dbraw/zinc/56/90/62/551569062.db2.gz VWWAUVBKRBWSLR-JGCGQSQUSA-N 0 0 578.648 4.498 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000000906323 551569080 /nfs/dbraw/zinc/56/90/80/551569080.db2.gz VWWAUVBKRBWSLR-YTTGMZPUSA-N 0 0 578.648 4.498 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@@H](C(=O)NCc1ccccc1)c1ccc(O)c(O)c1 ZINC000000922661 551576763 /nfs/dbraw/zinc/57/67/63/551576763.db2.gz GTCGPPJALCTNEI-MUUNZHRXSA-N 0 0 525.540 4.073 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@H](C(=O)NCc1ccccc1)c1ccc(O)c(O)c1 ZINC000000922662 551576770 /nfs/dbraw/zinc/57/67/70/551576770.db2.gz GTCGPPJALCTNEI-NDEPHWFRSA-N 0 0 525.540 4.073 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000000922672 551576775 /nfs/dbraw/zinc/57/67/75/551576775.db2.gz PWPAAJOEOYAVPE-JGCGQSQUSA-N 0 0 578.648 4.498 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000000922674 551576703 /nfs/dbraw/zinc/57/67/03/551576703.db2.gz PWPAAJOEOYAVPE-YTTGMZPUSA-N 0 0 578.648 4.498 40 10 KICBRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000000922675 551576754 /nfs/dbraw/zinc/57/67/54/551576754.db2.gz JGLLTJFZQAVCQG-XIFFEERXSA-N 0 0 590.684 4.367 40 10 KICBRN COc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 ZINC000001214628 551626198 /nfs/dbraw/zinc/62/61/98/551626198.db2.gz SAALXIDWVMYEHA-FSSWDIPSSA-N 0 0 532.346 4.153 40 10 KICBRN Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001233951 551629733 /nfs/dbraw/zinc/62/97/33/551629733.db2.gz AAIGOHWGQFBNRM-RGEXLXHISA-N 0 0 557.495 4.477 40 10 KICBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000001238551 551630355 /nfs/dbraw/zinc/63/03/55/551630355.db2.gz CJYLCGKSNBVDEE-ZDLGFXPLSA-N 0 0 508.415 4.411 40 10 KICBRN CCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)c2cc(Br)ccc21 ZINC000001239016 551630357 /nfs/dbraw/zinc/63/03/57/551630357.db2.gz SLIBKRFCHZSVTI-ZCXUNETKSA-N 0 0 509.447 4.263 40 10 KICBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]32)cc1 ZINC000001246089 551631739 /nfs/dbraw/zinc/63/17/39/551631739.db2.gz BSQRRGBVQCWNAM-FDFHNCONSA-N 0 0 563.347 4.295 40 10 KICBRN CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)cc1 ZINC000001310391 551639578 /nfs/dbraw/zinc/63/95/78/551639578.db2.gz RFWAFXINYQOYHJ-XPWALMASSA-N 0 0 529.932 4.212 40 10 KICBRN COc1ccc(Cn2nnnc2[C@H](c2ccc(N(C)C)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000001331302 551644733 /nfs/dbraw/zinc/64/47/33/551644733.db2.gz MPPZBLNQBCDJNB-MHZLTWQESA-N 0 0 540.697 4.317 40 10 KICBRN COc1ccc(Cn2nnnc2[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000001331304 551644778 /nfs/dbraw/zinc/64/47/78/551644778.db2.gz MPPZBLNQBCDJNB-HHHXNRCGSA-N 0 0 540.697 4.317 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3CCc3ccccc3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000001362023 551648166 /nfs/dbraw/zinc/64/81/66/551648166.db2.gz OYZDMBPEPAYGGF-PMERELPUSA-N 0 0 549.679 4.294 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3CCc3ccccc3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000001362024 551648155 /nfs/dbraw/zinc/64/81/55/551648155.db2.gz OYZDMBPEPAYGGF-SSEXGKCCSA-N 0 0 549.679 4.294 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3CCc3ccccc3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000001362236 551648625 /nfs/dbraw/zinc/64/86/25/551648625.db2.gz BIJYIZKNHJDFSI-PMERELPUSA-N 0 0 549.679 4.294 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3CCc3ccccc3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000001362238 551648658 /nfs/dbraw/zinc/64/86/58/551648658.db2.gz BIJYIZKNHJDFSI-SSEXGKCCSA-N 0 0 549.679 4.294 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3CCc3ccccc3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000001381743 551658680 /nfs/dbraw/zinc/65/86/80/551658680.db2.gz LQMPCDVHUGBVAE-PMERELPUSA-N 0 0 549.679 4.294 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3CCc3ccccc3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000001381744 551658664 /nfs/dbraw/zinc/65/86/64/551658664.db2.gz LQMPCDVHUGBVAE-SSEXGKCCSA-N 0 0 549.679 4.294 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3CCc3ccccc3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000001382310 551659720 /nfs/dbraw/zinc/65/97/20/551659720.db2.gz VDSZYEUFODSZQO-PMERELPUSA-N 0 0 549.679 4.294 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3CCc3ccccc3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000001382312 551659967 /nfs/dbraw/zinc/65/99/67/551659967.db2.gz VDSZYEUFODSZQO-SSEXGKCCSA-N 0 0 549.679 4.294 40 10 KICBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000001407525 551662204 /nfs/dbraw/zinc/66/22/04/551662204.db2.gz KAZHTICXUXHCBV-UHFFFAOYSA-N 0 0 516.200 4.258 40 10 KICBRN CN(C)c1ccc(Cc2ccc(N(C)C)cc2NS(=O)(=O)c2ccc(N)cc2)c(NS(=O)(=O)c2ccc(N)cc2)c1 ZINC000001593774 551685564 /nfs/dbraw/zinc/68/55/64/551685564.db2.gz IFRVCUFUYUTTBP-UHFFFAOYSA-N 0 0 594.763 4.175 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000001759093 551694074 /nfs/dbraw/zinc/69/40/74/551694074.db2.gz MTDKLOZOPGSNNU-RISWYLRJSA-N 0 0 533.600 4.484 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000001759098 551694163 /nfs/dbraw/zinc/69/41/63/551694163.db2.gz MTDKLOZOPGSNNU-LMSRTUJASA-N 0 0 533.600 4.484 40 10 KICBRN CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000001876618 551722722 /nfs/dbraw/zinc/72/27/22/551722722.db2.gz LAXFUYDCYDGAKO-CPOKCXMASA-N 0 0 554.719 4.170 40 10 KICBRN CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000001876620 551722731 /nfs/dbraw/zinc/72/27/31/551722731.db2.gz LAXFUYDCYDGAKO-VQYZLWMVSA-N 0 0 554.719 4.170 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000002063088 551743952 /nfs/dbraw/zinc/74/39/52/551743952.db2.gz UEMPXDCVOLNCIE-ASZNLBCTSA-N 0 0 558.679 4.411 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000002063090 551743908 /nfs/dbraw/zinc/74/39/08/551743908.db2.gz UEMPXDCVOLNCIE-YNMQQHPQSA-N 0 0 558.679 4.411 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002164017 551781574 /nfs/dbraw/zinc/78/15/74/551781574.db2.gz JGICRTNOGMLNKF-HDFSHUSISA-N 0 0 599.709 4.391 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002164022 551781583 /nfs/dbraw/zinc/78/15/83/551781583.db2.gz JGICRTNOGMLNKF-LAUBZIAYSA-N 0 0 599.709 4.391 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002164040 551781593 /nfs/dbraw/zinc/78/15/93/551781593.db2.gz TYUFXLVMJAVCKW-SZYVSPPHSA-N 0 0 585.682 4.333 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002164043 551781567 /nfs/dbraw/zinc/78/15/67/551781567.db2.gz TYUFXLVMJAVCKW-QUNTYYFUSA-N 0 0 585.682 4.333 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000002185162 551786177 /nfs/dbraw/zinc/78/61/77/551786177.db2.gz NPYFYZYMBUDPHU-MGSPXPDISA-N 0 0 570.509 4.113 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000002185164 551786233 /nfs/dbraw/zinc/78/62/33/551786233.db2.gz NPYFYZYMBUDPHU-XPCGLTFESA-N 0 0 570.509 4.113 40 10 KICBRN COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000002300488 551807807 /nfs/dbraw/zinc/80/78/07/551807807.db2.gz SYMMNTVNUXJENJ-FSSWDIPSSA-N 0 0 532.346 4.153 40 10 KICBRN Cc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000002323112 552094602 /nfs/dbraw/zinc/09/46/02/552094602.db2.gz BLAATVRAIPYQGN-VJBWXMMDSA-N 0 0 530.374 4.448 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000004091218 552435381 /nfs/dbraw/zinc/43/53/81/552435381.db2.gz YDZPDPIZVJQGAK-XPWALMASSA-N 0 0 529.932 4.212 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000004119508 552439163 /nfs/dbraw/zinc/43/91/63/552439163.db2.gz HZYSCVWIZYZWCD-NJYVYQBISA-N 0 0 520.310 4.283 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000004119509 552439170 /nfs/dbraw/zinc/43/91/70/552439170.db2.gz HZYSCVWIZYZWCD-HKBOAZHASA-N 0 0 520.310 4.283 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000004131717 552442161 /nfs/dbraw/zinc/44/21/61/552442161.db2.gz RXXRZUJATITGHV-VJBWXMMDSA-N 0 0 529.932 4.212 40 10 KICBRN COc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000004182221 552446886 /nfs/dbraw/zinc/44/68/86/552446886.db2.gz ZXKQSSRDDTXAQP-VJBWXMMDSA-N 0 0 546.373 4.148 40 10 KICBRN COc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000004182223 552446835 /nfs/dbraw/zinc/44/68/35/552446835.db2.gz ZXKQSSRDDTXAQP-XPWALMASSA-N 0 0 546.373 4.148 40 10 KICBRN Cc1ccc2c(c1NC(=O)C(=O)Nc1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O ZINC000004265772 552454633 /nfs/dbraw/zinc/45/46/33/552454633.db2.gz UMHDNSIHVQJAQP-UHFFFAOYSA-N 0 0 528.520 4.431 40 10 KICBRN CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](CNc1cc(C)c(C)cc1/N=N/c1ccc([N+](=O)[O-])cc1)OC(C)=O ZINC000004522857 552462671 /nfs/dbraw/zinc/46/26/71/552462671.db2.gz IHOVYQIUFLJFMV-RBSCGTJYSA-N 0 0 572.571 4.397 40 10 KICBRN CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](CNc1cc(C)c(C)cc1/N=N/c1ccc([N+](=O)[O-])cc1)OC(C)=O ZINC000004522858 552462673 /nfs/dbraw/zinc/46/26/73/552462673.db2.gz IHOVYQIUFLJFMV-RNKBUGDHSA-N 0 0 572.571 4.397 40 10 KICBRN O=C(CN1CCCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCCCCC3)cc1C2=O ZINC000005463663 552502721 /nfs/dbraw/zinc/50/27/21/552502721.db2.gz RNXSPFASDXAMJI-UHFFFAOYSA-N 0 0 516.642 4.091 40 10 KICBRN O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000005813279 552510165 /nfs/dbraw/zinc/51/01/65/552510165.db2.gz MHQSGAKVNWJEHS-UHSQPCAPSA-N 0 0 505.526 4.037 40 10 KICBRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c3ccccc23)cc1 ZINC000006073838 552521763 /nfs/dbraw/zinc/52/17/63/552521763.db2.gz FFSIIFSFZMPCMK-UHFFFAOYSA-N 0 0 552.634 4.358 40 10 KICBRN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006074218 552522250 /nfs/dbraw/zinc/52/22/50/552522250.db2.gz DVDQTYLPINRWLH-NDEPHWFRSA-N 0 0 526.641 4.389 40 10 KICBRN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1 ZINC000006074219 552522236 /nfs/dbraw/zinc/52/22/36/552522236.db2.gz ANBUBTAKFHNTAW-PMERELPUSA-N 0 0 568.678 4.160 40 10 KICBRN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006074228 552522438 /nfs/dbraw/zinc/52/24/38/552522438.db2.gz DVDQTYLPINRWLH-MUUNZHRXSA-N 0 0 526.641 4.389 40 10 KICBRN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1 ZINC000006074229 552522505 /nfs/dbraw/zinc/52/25/05/552522505.db2.gz ANBUBTAKFHNTAW-SSEXGKCCSA-N 0 0 568.678 4.160 40 10 KICBRN CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000006074552 552523637 /nfs/dbraw/zinc/52/36/37/552523637.db2.gz VYHSFBICFDTNKM-AREMUKBSSA-N 0 0 502.594 4.326 40 10 KICBRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000006074553 552523665 /nfs/dbraw/zinc/52/36/65/552523665.db2.gz LLDSQRLSZSYJRY-HHHXNRCGSA-N 0 0 514.630 4.195 40 10 KICBRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006074554 552523628 /nfs/dbraw/zinc/52/36/28/552523628.db2.gz XAWLLWYCMBFIOT-HHHXNRCGSA-N 0 0 514.630 4.195 40 10 KICBRN CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000006074559 552523703 /nfs/dbraw/zinc/52/37/03/552523703.db2.gz BFYMCKYBWFPMFE-HHHXNRCGSA-N 0 0 546.697 4.014 40 10 KICBRN CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000006074561 552523926 /nfs/dbraw/zinc/52/39/26/552523926.db2.gz ODBBYYZOWNDAQF-MUUNZHRXSA-N 0 0 544.631 4.096 40 10 KICBRN CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000006074563 552523950 /nfs/dbraw/zinc/52/39/50/552523950.db2.gz NMDNWRSUJCADKE-MUUNZHRXSA-N 0 0 544.631 4.096 40 10 KICBRN CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000006074959 552526005 /nfs/dbraw/zinc/52/60/05/552526005.db2.gz VYHSFBICFDTNKM-SANMLTNESA-N 0 0 502.594 4.326 40 10 KICBRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000006074960 552525972 /nfs/dbraw/zinc/52/59/72/552525972.db2.gz LLDSQRLSZSYJRY-MHZLTWQESA-N 0 0 514.630 4.195 40 10 KICBRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006074961 552526039 /nfs/dbraw/zinc/52/60/39/552526039.db2.gz XAWLLWYCMBFIOT-MHZLTWQESA-N 0 0 514.630 4.195 40 10 KICBRN CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000006074967 552526045 /nfs/dbraw/zinc/52/60/45/552526045.db2.gz BFYMCKYBWFPMFE-MHZLTWQESA-N 0 0 546.697 4.014 40 10 KICBRN CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000006074969 552526043 /nfs/dbraw/zinc/52/60/43/552526043.db2.gz ODBBYYZOWNDAQF-NDEPHWFRSA-N 0 0 544.631 4.096 40 10 KICBRN CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000006074971 552526031 /nfs/dbraw/zinc/52/60/31/552526031.db2.gz NMDNWRSUJCADKE-NDEPHWFRSA-N 0 0 544.631 4.096 40 10 KICBRN CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006077025 552528248 /nfs/dbraw/zinc/52/82/48/552528248.db2.gz CTZOYXBFFNEMIN-VWLOTQADSA-N 0 0 548.713 4.461 40 10 KICBRN CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006077036 552528256 /nfs/dbraw/zinc/52/82/56/552528256.db2.gz CTZOYXBFFNEMIN-RUZDIDTESA-N 0 0 548.713 4.461 40 10 KICBRN CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000006077424 552528786 /nfs/dbraw/zinc/52/87/86/552528786.db2.gz DLRYHGJHXVLPCN-HSZRJFAPSA-N 0 0 536.702 4.200 40 10 KICBRN CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000006077457 552529007 /nfs/dbraw/zinc/52/90/07/552529007.db2.gz DLRYHGJHXVLPCN-QHCPKHFHSA-N 0 0 536.702 4.200 40 10 KICBRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006089822 552532657 /nfs/dbraw/zinc/53/26/57/552532657.db2.gz LUFVWCPXZMZKHY-VWLOTQADSA-N 0 0 564.712 4.126 40 10 KICBRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006089836 552532856 /nfs/dbraw/zinc/53/28/56/552532856.db2.gz LUFVWCPXZMZKHY-RUZDIDTESA-N 0 0 564.712 4.126 40 10 KICBRN CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OS(C)(=O)=O ZINC000006101725 552534541 /nfs/dbraw/zinc/53/45/41/552534541.db2.gz NJJANUJSNYTNOS-FWDDTQSRSA-N 0 0 503.989 4.381 40 10 KICBRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000006133908 552535431 /nfs/dbraw/zinc/53/54/31/552535431.db2.gz YFZWSGSZFYBLIE-NDEPHWFRSA-N 0 0 543.672 4.339 40 10 KICBRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000006134103 552536165 /nfs/dbraw/zinc/53/61/65/552536165.db2.gz YFZWSGSZFYBLIE-MUUNZHRXSA-N 0 0 543.672 4.339 40 10 KICBRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000006134413 552537283 /nfs/dbraw/zinc/53/72/83/552537283.db2.gz WQRZADFOXPFZKD-VWLOTQADSA-N 0 0 564.712 4.126 40 10 KICBRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000006134432 552537470 /nfs/dbraw/zinc/53/74/70/552537470.db2.gz WQRZADFOXPFZKD-RUZDIDTESA-N 0 0 564.712 4.126 40 10 KICBRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006134742 552538267 /nfs/dbraw/zinc/53/82/67/552538267.db2.gz MQFRAEZTDCTPHC-VWLOTQADSA-N 0 0 548.713 4.290 40 10 KICBRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000006134745 552538242 /nfs/dbraw/zinc/53/82/42/552538242.db2.gz OKQLNLRTNLPNCU-DEOSSOPVSA-N 0 0 536.702 4.003 40 10 KICBRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000006134752 552538247 /nfs/dbraw/zinc/53/82/47/552538247.db2.gz XZMUQXUYDYATGM-SANMLTNESA-N 0 0 556.692 4.157 40 10 KICBRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006134771 552538626 /nfs/dbraw/zinc/53/86/26/552538626.db2.gz MQFRAEZTDCTPHC-RUZDIDTESA-N 0 0 548.713 4.290 40 10 KICBRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000006134773 552538550 /nfs/dbraw/zinc/53/85/50/552538550.db2.gz OKQLNLRTNLPNCU-XMMPIXPASA-N 0 0 536.702 4.003 40 10 KICBRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000006134778 552538533 /nfs/dbraw/zinc/53/85/33/552538533.db2.gz XZMUQXUYDYATGM-AREMUKBSSA-N 0 0 556.692 4.157 40 10 KICBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000006135258 552539302 /nfs/dbraw/zinc/53/93/02/552539302.db2.gz KDISVCTULXELBG-LJAQVGFWSA-N 0 0 535.652 4.046 40 10 KICBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000006135372 552539513 /nfs/dbraw/zinc/53/95/13/552539513.db2.gz KDISVCTULXELBG-GDLZYMKVSA-N 0 0 535.652 4.046 40 10 KICBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000006135412 552539486 /nfs/dbraw/zinc/53/94/86/552539486.db2.gz KFFIDPHJMCVFMO-VWLOTQADSA-N 0 0 548.713 4.290 40 10 KICBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1 ZINC000006135414 552539488 /nfs/dbraw/zinc/53/94/88/552539488.db2.gz UTBMSGXJENBMND-DEOSSOPVSA-N 0 0 536.702 4.003 40 10 KICBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000006135418 552539555 /nfs/dbraw/zinc/53/95/55/552539555.db2.gz GWPXOMHPWUWASR-SANMLTNESA-N 0 0 556.692 4.157 40 10 KICBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000006135422 552539549 /nfs/dbraw/zinc/53/95/49/552539549.db2.gz KFFIDPHJMCVFMO-RUZDIDTESA-N 0 0 548.713 4.290 40 10 KICBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1 ZINC000006135424 552539658 /nfs/dbraw/zinc/53/96/58/552539658.db2.gz UTBMSGXJENBMND-XMMPIXPASA-N 0 0 536.702 4.003 40 10 KICBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000006135428 552539647 /nfs/dbraw/zinc/53/96/47/552539647.db2.gz GWPXOMHPWUWASR-AREMUKBSSA-N 0 0 556.692 4.157 40 10 KICBRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000006136608 552542490 /nfs/dbraw/zinc/54/24/90/552542490.db2.gz JGLLTJFZQAVCQG-MGBGTMOVSA-N 0 0 590.684 4.367 40 10 KICBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl ZINC000006142490 552543914 /nfs/dbraw/zinc/54/39/14/552543914.db2.gz FDRSJZHWPAVQBJ-UHFFFAOYSA-N 0 0 547.354 4.411 40 10 KICBRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000006144426 552546415 /nfs/dbraw/zinc/54/64/15/552546415.db2.gz RYPUVJTXNMPBRA-ZRBLBEILSA-N 0 0 505.596 4.269 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006167981 552558350 /nfs/dbraw/zinc/55/83/50/552558350.db2.gz OZTWVXHGXZBYNC-QTTRZTASSA-N 0 0 572.643 4.341 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000006167985 552558309 /nfs/dbraw/zinc/55/83/09/552558309.db2.gz OZTWVXHGXZBYNC-QPJBPQEWSA-N 0 0 572.643 4.341 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000006177996 552561029 /nfs/dbraw/zinc/56/10/29/552561029.db2.gz WZNKCEXBNGDIFR-LJAQVGFWSA-N 0 0 535.652 4.100 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000006193458 552565432 /nfs/dbraw/zinc/56/54/32/552565432.db2.gz WZNKCEXBNGDIFR-GDLZYMKVSA-N 0 0 535.652 4.100 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000006193653 552565402 /nfs/dbraw/zinc/56/54/02/552565402.db2.gz VMFIBLJMAAWVKF-LJAQVGFWSA-N 0 0 535.652 4.100 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000006193850 552565807 /nfs/dbraw/zinc/56/58/07/552565807.db2.gz VMFIBLJMAAWVKF-GDLZYMKVSA-N 0 0 535.652 4.100 40 10 KICBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000006193894 552565812 /nfs/dbraw/zinc/56/58/12/552565812.db2.gz JVFXNNOEUXOPAM-VWLOTQADSA-N 0 0 548.713 4.344 40 10 KICBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006193897 552565811 /nfs/dbraw/zinc/56/58/11/552565811.db2.gz WLAZQLYFDQPMIS-DEOSSOPVSA-N 0 0 536.702 4.057 40 10 KICBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(N(C)C)cc2)c1 ZINC000006193906 552565799 /nfs/dbraw/zinc/56/57/99/552565799.db2.gz SROGXUMQGWVDMJ-SANMLTNESA-N 0 0 574.682 4.351 40 10 KICBRN COc1ccc(CNC(=O)[C@H](c2ccc(N(C)C)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1 ZINC000006193909 552565814 /nfs/dbraw/zinc/56/58/14/552565814.db2.gz NHMKZSQCRNSNRG-MHZLTWQESA-N 0 0 586.718 4.220 40 10 KICBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1 ZINC000006193911 552565794 /nfs/dbraw/zinc/56/57/94/552565794.db2.gz QVIAZTXROQNGLC-SANMLTNESA-N 0 0 556.692 4.212 40 10 KICBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000006193926 552565776 /nfs/dbraw/zinc/56/57/76/552565776.db2.gz JVFXNNOEUXOPAM-RUZDIDTESA-N 0 0 548.713 4.344 40 10 KICBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006193929 552565815 /nfs/dbraw/zinc/56/58/15/552565815.db2.gz WLAZQLYFDQPMIS-XMMPIXPASA-N 0 0 536.702 4.057 40 10 KICBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(N(C)C)cc2)c1 ZINC000006193939 552565962 /nfs/dbraw/zinc/56/59/62/552565962.db2.gz SROGXUMQGWVDMJ-AREMUKBSSA-N 0 0 574.682 4.351 40 10 KICBRN COc1ccc(CNC(=O)[C@@H](c2ccc(N(C)C)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1 ZINC000006193941 552565947 /nfs/dbraw/zinc/56/59/47/552565947.db2.gz NHMKZSQCRNSNRG-HHHXNRCGSA-N 0 0 586.718 4.220 40 10 KICBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1 ZINC000006193943 552565938 /nfs/dbraw/zinc/56/59/38/552565938.db2.gz QVIAZTXROQNGLC-AREMUKBSSA-N 0 0 556.692 4.212 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000006194889 552566532 /nfs/dbraw/zinc/56/65/32/552566532.db2.gz HFTLFNBRMYXXJF-LJAQVGFWSA-N 0 0 535.652 4.100 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000006195040 552566503 /nfs/dbraw/zinc/56/65/03/552566503.db2.gz HFTLFNBRMYXXJF-GDLZYMKVSA-N 0 0 535.652 4.100 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c(C)c1 ZINC000006195223 552567061 /nfs/dbraw/zinc/56/70/61/552567061.db2.gz JJVSRCHVJTVUHR-VWLOTQADSA-N 0 0 548.713 4.344 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000006195224 552567074 /nfs/dbraw/zinc/56/70/74/552567074.db2.gz ZNJBNXMCICXZRQ-DEOSSOPVSA-N 0 0 536.702 4.057 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c(C)c1 ZINC000006195252 552567410 /nfs/dbraw/zinc/56/74/10/552567410.db2.gz JJVSRCHVJTVUHR-RUZDIDTESA-N 0 0 548.713 4.344 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000006195255 552567327 /nfs/dbraw/zinc/56/73/27/552567327.db2.gz ZNJBNXMCICXZRQ-XMMPIXPASA-N 0 0 536.702 4.057 40 10 KICBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000006195552 552567355 /nfs/dbraw/zinc/56/73/55/552567355.db2.gz PRFKQPAVAMDBMU-VWLOTQADSA-N 0 0 548.713 4.344 40 10 KICBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006195554 552567331 /nfs/dbraw/zinc/56/73/31/552567331.db2.gz CRIIUCUTAGZDLN-DEOSSOPVSA-N 0 0 536.702 4.057 40 10 KICBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1 ZINC000006195561 552567613 /nfs/dbraw/zinc/56/76/13/552567613.db2.gz XKHORDLIDVGERG-SANMLTNESA-N 0 0 556.692 4.212 40 10 KICBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000006195588 552567606 /nfs/dbraw/zinc/56/76/06/552567606.db2.gz PRFKQPAVAMDBMU-RUZDIDTESA-N 0 0 548.713 4.344 40 10 KICBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006195590 552567642 /nfs/dbraw/zinc/56/76/42/552567642.db2.gz CRIIUCUTAGZDLN-XMMPIXPASA-N 0 0 536.702 4.057 40 10 KICBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1 ZINC000006195598 552567670 /nfs/dbraw/zinc/56/76/70/552567670.db2.gz XKHORDLIDVGERG-AREMUKBSSA-N 0 0 556.692 4.212 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000006244850 552573464 /nfs/dbraw/zinc/57/34/64/552573464.db2.gz SLZDINOAJFASEZ-LJAQVGFWSA-N 0 0 535.652 4.100 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000006244951 552573665 /nfs/dbraw/zinc/57/36/65/552573665.db2.gz SLZDINOAJFASEZ-GDLZYMKVSA-N 0 0 535.652 4.100 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006245087 193876073 /nfs/dbraw/zinc/87/60/73/193876073.db2.gz RXXOCEOPGDOMNV-DEOSSOPVSA-N 0 0 534.686 4.036 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000006245115 552573660 /nfs/dbraw/zinc/57/36/60/552573660.db2.gz RXXOCEOPGDOMNV-XMMPIXPASA-N 0 0 534.686 4.036 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1C ZINC000006280319 552576238 /nfs/dbraw/zinc/57/62/38/552576238.db2.gz ZXSFXQIOEIFGLG-VWLOTQADSA-N 0 0 548.713 4.344 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1C ZINC000006280320 552576241 /nfs/dbraw/zinc/57/62/41/552576241.db2.gz GSJWNFMIXRTRQB-DEOSSOPVSA-N 0 0 536.702 4.057 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1C ZINC000006280328 193879190 /nfs/dbraw/zinc/87/91/90/193879190.db2.gz XHTFSUKRXRTJMN-SANMLTNESA-N 0 0 556.692 4.212 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1C ZINC000006280341 552576236 /nfs/dbraw/zinc/57/62/36/552576236.db2.gz ZXSFXQIOEIFGLG-RUZDIDTESA-N 0 0 548.713 4.344 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1C ZINC000006280342 552576239 /nfs/dbraw/zinc/57/62/39/552576239.db2.gz GSJWNFMIXRTRQB-XMMPIXPASA-N 0 0 536.702 4.057 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1C ZINC000006280354 552576436 /nfs/dbraw/zinc/57/64/36/552576436.db2.gz XHTFSUKRXRTJMN-AREMUKBSSA-N 0 0 556.692 4.212 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1Cl ZINC000006280489 552576411 /nfs/dbraw/zinc/57/64/11/552576411.db2.gz DNLAGDWFKNRIPI-QHCPKHFHSA-N 0 0 557.120 4.402 40 10 KICBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1Cl ZINC000006280492 552576381 /nfs/dbraw/zinc/57/63/81/552576381.db2.gz DNLAGDWFKNRIPI-HSZRJFAPSA-N 0 0 557.120 4.402 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006354098 552581963 /nfs/dbraw/zinc/58/19/63/552581963.db2.gz WSKFHMXEGDMDMD-OXIKZWMZSA-N 0 0 527.646 4.026 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006354111 552581961 /nfs/dbraw/zinc/58/19/61/552581961.db2.gz WSKFHMXEGDMDMD-QEYQTOMISA-N 0 0 527.646 4.026 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006354169 552581956 /nfs/dbraw/zinc/58/19/56/552581956.db2.gz WRBBMWLXAJSUSW-OCEWKHMESA-N 0 0 558.616 4.033 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000006354172 552581967 /nfs/dbraw/zinc/58/19/67/552581967.db2.gz WRBBMWLXAJSUSW-MKWGYRPRSA-N 0 0 558.616 4.033 40 10 KICBRN CN(C)c1ccc(/C=C2/SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(N(C)C)cc5)S4)CC3)=NC2=O)cc1 ZINC000006392479 552582247 /nfs/dbraw/zinc/58/22/47/552582247.db2.gz BWWSJUPWIOCNKX-GJHDBBOXSA-N 0 0 546.722 4.077 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4ccc(C)c(C)c4[nH]c3=O)CC2)cc1 ZINC000006441919 552584446 /nfs/dbraw/zinc/58/44/46/552584446.db2.gz RYVFQHXRFILDNK-LJAQVGFWSA-N 0 0 535.652 4.100 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4ccc(C)c(C)c4[nH]c3=O)CC2)cc1 ZINC000006442041 552584460 /nfs/dbraw/zinc/58/44/60/552584460.db2.gz RYVFQHXRFILDNK-GDLZYMKVSA-N 0 0 535.652 4.100 40 10 KICBRN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1 ZINC000006442175 552584550 /nfs/dbraw/zinc/58/45/50/552584550.db2.gz IHAWJUNWIHSGOR-HKBQPEDESA-N 0 0 568.722 4.304 40 10 KICBRN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1 ZINC000006442179 552584529 /nfs/dbraw/zinc/58/45/29/552584529.db2.gz IHAWJUNWIHSGOR-WJOKGBTCSA-N 0 0 568.722 4.304 40 10 KICBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000006442188 552584546 /nfs/dbraw/zinc/58/45/46/552584546.db2.gz IIUIQOXJHHPPJS-DEOSSOPVSA-N 0 0 534.686 4.036 40 10 KICBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000006442226 552584539 /nfs/dbraw/zinc/58/45/39/552584539.db2.gz IIUIQOXJHHPPJS-XMMPIXPASA-N 0 0 534.686 4.036 40 10 KICBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1C ZINC000006442784 552585194 /nfs/dbraw/zinc/58/51/94/552585194.db2.gz PTZLKAFQRAASFL-VWLOTQADSA-N 0 0 548.713 4.344 40 10 KICBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1C ZINC000006442788 552585152 /nfs/dbraw/zinc/58/51/52/552585152.db2.gz KHKQKWYSRMGKMD-DEOSSOPVSA-N 0 0 536.702 4.057 40 10 KICBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1C ZINC000006442800 552585179 /nfs/dbraw/zinc/58/51/79/552585179.db2.gz LYMOLTXJLVQDHX-SANMLTNESA-N 0 0 556.692 4.212 40 10 KICBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1C ZINC000006442823 552585119 /nfs/dbraw/zinc/58/51/19/552585119.db2.gz PTZLKAFQRAASFL-RUZDIDTESA-N 0 0 548.713 4.344 40 10 KICBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1C ZINC000006442825 552585184 /nfs/dbraw/zinc/58/51/84/552585184.db2.gz KHKQKWYSRMGKMD-XMMPIXPASA-N 0 0 536.702 4.057 40 10 KICBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1C ZINC000006442832 552585138 /nfs/dbraw/zinc/58/51/38/552585138.db2.gz LYMOLTXJLVQDHX-AREMUKBSSA-N 0 0 556.692 4.212 40 10 KICBRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000006443959 552586336 /nfs/dbraw/zinc/58/63/36/552586336.db2.gz WQUCZHYOVOSKSD-DEOSSOPVSA-N 0 0 534.686 4.036 40 10 KICBRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000006443996 552586376 /nfs/dbraw/zinc/58/63/76/552586376.db2.gz WQUCZHYOVOSKSD-XMMPIXPASA-N 0 0 534.686 4.036 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000006446218 552588617 /nfs/dbraw/zinc/58/86/17/552588617.db2.gz UAVVAXQOHVWCEF-UUWRZZSWSA-N 0 0 618.694 4.083 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc2c(c1)OCCO2)[C@@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000006446222 552588627 /nfs/dbraw/zinc/58/86/27/552588627.db2.gz XFUMSPGNZUBUKF-UUWRZZSWSA-N 0 0 618.694 4.130 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000006446225 552588635 /nfs/dbraw/zinc/58/86/35/552588635.db2.gz DCTIWJCBBDCBNE-MGBGTMOVSA-N 0 0 604.667 4.088 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000006446252 552588890 /nfs/dbraw/zinc/58/88/90/552588890.db2.gz UAVVAXQOHVWCEF-UMSFTDKQSA-N 0 0 618.694 4.083 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc2c(c1)OCCO2)[C@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000006446257 552588861 /nfs/dbraw/zinc/58/88/61/552588861.db2.gz XFUMSPGNZUBUKF-UMSFTDKQSA-N 0 0 618.694 4.130 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000006446260 552588915 /nfs/dbraw/zinc/58/89/15/552588915.db2.gz DCTIWJCBBDCBNE-XIFFEERXSA-N 0 0 604.667 4.088 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000006475475 552593612 /nfs/dbraw/zinc/59/36/12/552593612.db2.gz SCIVYCZMAWXXJV-XIFFEERXSA-N 0 0 610.715 4.216 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000006475479 552593550 /nfs/dbraw/zinc/59/35/50/552593550.db2.gz SCIVYCZMAWXXJV-MGBGTMOVSA-N 0 0 610.715 4.216 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000006475490 552593591 /nfs/dbraw/zinc/59/35/91/552593591.db2.gz XOAUZCIIPDRPFL-YTTGMZPUSA-N 0 0 596.688 4.220 40 10 KICBRN CCN(CC)S(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000006511955 552597503 /nfs/dbraw/zinc/59/75/03/552597503.db2.gz WSLPSXLYIJYKGI-HKBQPEDESA-N 0 0 634.759 4.096 40 10 KICBRN CCN(CC)S(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000006511965 552597475 /nfs/dbraw/zinc/59/74/75/552597475.db2.gz WSLPSXLYIJYKGI-WJOKGBTCSA-N 0 0 634.759 4.096 40 10 KICBRN CCOC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCC)C2=O)SC1=S ZINC000006546086 552598635 /nfs/dbraw/zinc/59/86/35/552598635.db2.gz AIQSYNLAAPIPBY-ISLYRVAYSA-N 0 0 546.758 4.166 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000006599847 552601698 /nfs/dbraw/zinc/60/16/98/552601698.db2.gz JJYYJGBNPPQFRO-VJBWXMMDSA-N 0 0 574.383 4.321 40 10 KICBRN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000008382394 291835787 /nfs/dbraw/zinc/83/57/87/291835787.db2.gz MPKFPYYFFKYHDD-VPFVTSKHSA-N 0 0 561.480 4.094 40 10 biogenic,in-vitro KICBRN O=C(N[C@@H](c1ccccc1)[C@H](O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000008655941 553108664 /nfs/dbraw/zinc/10/86/64/553108664.db2.gz MHQSGAKVNWJEHS-WNJJXGMVSA-N 0 0 505.526 4.037 40 10 KICBRN O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000008655942 553108568 /nfs/dbraw/zinc/10/85/68/553108568.db2.gz MHQSGAKVNWJEHS-LITSAYRRSA-N 0 0 505.526 4.037 40 10 KICBRN O=C(N[C@H](c1ccccc1)[C@@H](O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000008655943 553108676 /nfs/dbraw/zinc/10/86/76/553108676.db2.gz MHQSGAKVNWJEHS-GGXMVOPNSA-N 0 0 505.526 4.037 40 10 KICBRN COc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000008686619 553115564 /nfs/dbraw/zinc/11/55/64/553115564.db2.gz JMANRMWYJJAUPD-NDEPHWFRSA-N 0 0 582.679 4.298 40 10 KICBRN COc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000008686622 553115586 /nfs/dbraw/zinc/11/55/86/553115586.db2.gz JMANRMWYJJAUPD-MUUNZHRXSA-N 0 0 582.679 4.298 40 10 KICBRN Cc1cc(NC(=O)CSCC(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)no1 ZINC000008686625 553115605 /nfs/dbraw/zinc/11/56/05/553115605.db2.gz QDJSDTQFLDOIIG-MHZLTWQESA-N 0 0 570.643 4.428 40 10 KICBRN Cc1cc(NC(=O)CSCC(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)no1 ZINC000008686626 553115577 /nfs/dbraw/zinc/11/55/77/553115577.db2.gz QDJSDTQFLDOIIG-HHHXNRCGSA-N 0 0 570.643 4.428 40 10 KICBRN COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008690258 553117120 /nfs/dbraw/zinc/11/71/20/553117120.db2.gz YALCPVJXBQVLCU-UHFFFAOYSA-N 0 0 532.663 4.241 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)c(F)c3)CC2)cc1 ZINC000008810126 553148164 /nfs/dbraw/zinc/14/81/64/553148164.db2.gz FOJSNXIPMNRUJC-UHFFFAOYSA-N 0 0 503.983 4.251 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)CC2)cc1 ZINC000008810285 553148468 /nfs/dbraw/zinc/14/84/68/553148468.db2.gz GEKRKZCUJKLROD-UHFFFAOYSA-N 0 0 503.983 4.251 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4Cl)c(F)c3)CC2)cc1 ZINC000008810444 553148528 /nfs/dbraw/zinc/14/85/28/553148528.db2.gz ZSJXWRFTWNLNFV-UHFFFAOYSA-N 0 0 503.983 4.251 40 10 KICBRN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(c5ccccc5OC)CC4)c3)CC2)cc1 ZINC000008816621 553152049 /nfs/dbraw/zinc/15/20/49/553152049.db2.gz JHZYSTPUGKBLHI-UHFFFAOYSA-N 0 0 503.603 4.265 40 10 KICBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)c1 ZINC000008819209 553154021 /nfs/dbraw/zinc/15/40/21/553154021.db2.gz PSWFYAWGMLFCLA-AQTBWJFISA-N 0 0 515.682 4.355 40 10 KICBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1OC ZINC000008819487 553154262 /nfs/dbraw/zinc/15/42/62/553154262.db2.gz BJHNCBRBHVPKLB-ATVHPVEESA-N 0 0 506.675 4.374 40 10 KICBRN CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 ZINC000008819549 553154226 /nfs/dbraw/zinc/15/42/26/553154226.db2.gz FIDLOOHPIBOFJT-HKWRFOASSA-N 0 0 512.609 4.270 40 10 KICBRN CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)s1 ZINC000008819574 553154271 /nfs/dbraw/zinc/15/42/71/553154271.db2.gz PWQRUINUAZJKAD-SSZFMOIBSA-N 0 0 504.659 4.287 40 10 KICBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 ZINC000008819575 553154203 /nfs/dbraw/zinc/15/42/03/553154203.db2.gz PJMMQVAOKATJHK-VBKFSLOCSA-N 0 0 504.659 4.143 40 10 KICBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1OC ZINC000008819974 553154938 /nfs/dbraw/zinc/15/49/38/553154938.db2.gz YBPKQQWSGRLAFM-MOHJPFBDSA-N 0 0 528.696 4.487 40 10 KICBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)c3ccccc3)C2=O)cc1OC ZINC000008819976 553154953 /nfs/dbraw/zinc/15/49/53/553154953.db2.gz IYEKORNWQLQOFS-NKFKGCMQSA-N 0 0 514.669 4.491 40 10 KICBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N(CCO)Cc1ccccc1 ZINC000008820048 553154961 /nfs/dbraw/zinc/15/49/61/553154961.db2.gz VNQZJKNDVVASRT-KQWNVCNZSA-N 0 0 512.653 4.198 40 10 KICBRN CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)s1 ZINC000008820106 553155136 /nfs/dbraw/zinc/15/51/36/553155136.db2.gz ZKVGLJRCASLJEA-SSZFMOIBSA-N 0 0 504.659 4.287 40 10 KICBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 ZINC000008820118 553155114 /nfs/dbraw/zinc/15/51/14/553155114.db2.gz LOIIJYMZDDTDAE-NKFKGCMQSA-N 0 0 526.680 4.256 40 10 KICBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 ZINC000008820120 553155158 /nfs/dbraw/zinc/15/51/58/553155158.db2.gz PPRLZFSITVGMHL-PYCFMQQDSA-N 0 0 512.653 4.260 40 10 KICBRN CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 ZINC000008820183 553155442 /nfs/dbraw/zinc/15/54/42/553155442.db2.gz HSZVCFDDVIQVKM-MNDPQUGUSA-N 0 0 510.081 4.402 40 10 KICBRN Cc1c(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000008820449 553155414 /nfs/dbraw/zinc/15/54/14/553155414.db2.gz IKMABFUAYZAUNX-SYHWEURASA-N 0 0 504.637 4.271 40 10 KICBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000008820645 553155573 /nfs/dbraw/zinc/15/55/73/553155573.db2.gz RNEBIYAUIQQBBI-CMMGMQPASA-N 0 0 504.637 4.271 40 10 KICBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000008832695 553158347 /nfs/dbraw/zinc/15/83/47/553158347.db2.gz IYKHRLZMKIPXIB-UHFFFAOYSA-N 0 0 500.964 4.354 40 10 KICBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000008832696 553158410 /nfs/dbraw/zinc/15/84/10/553158410.db2.gz WDMWVKSHKUCKGY-UHFFFAOYSA-N 0 0 506.584 4.019 40 10 KICBRN Cc1ccc2nc(CCCn3ccnc3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 ZINC000008858215 553168869 /nfs/dbraw/zinc/16/88/69/553168869.db2.gz PYADJCFBJIWFQD-HMAPJEAMSA-N 0 0 501.637 4.234 40 10 KICBRN O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCN(c2ccccc2)CC1 ZINC000008974296 553195764 /nfs/dbraw/zinc/19/57/64/553195764.db2.gz MXZPWHOOFGFLBL-CAPFRKAQSA-N 0 0 516.486 4.389 40 10 KICBRN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000009009271 553199297 /nfs/dbraw/zinc/19/92/97/553199297.db2.gz LJXNRCKOTYLNFS-GSTLAZBSSA-N 0 0 509.518 4.166 40 10 KICBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000009009272 553199213 /nfs/dbraw/zinc/19/92/13/553199213.db2.gz LJXNRCKOTYLNFS-NANFOGFDSA-N 0 0 509.518 4.166 40 10 KICBRN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000009009274 553199225 /nfs/dbraw/zinc/19/92/25/553199225.db2.gz LJXNRCKOTYLNFS-DAMQTCOWSA-N 0 0 509.518 4.166 40 10 KICBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N(CCO)Cc1ccccc1 ZINC000009030142 553201333 /nfs/dbraw/zinc/20/13/33/553201333.db2.gz AOMWWJZULTUHPD-RGEXLXHISA-N 0 0 505.459 4.062 40 10 KICBRN O=C(NN1C(=O)/C(=C\c2ccc(I)o2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000009234601 553224911 /nfs/dbraw/zinc/22/49/11/553224911.db2.gz AAIXOZPHFITWDN-MKMNVTDBSA-N 0 0 514.410 4.333 40 10 KICBRN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1O ZINC000009234714 553224895 /nfs/dbraw/zinc/22/48/95/553224895.db2.gz YLVOHSFOTATTBF-DHDCSXOGSA-N 0 0 500.383 4.351 40 10 KICBRN COc1cc(/C=C2\SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC ZINC000009404766 553255979 /nfs/dbraw/zinc/25/59/79/553255979.db2.gz NCZGQNSUPDHDLJ-NHDPSOOVSA-N 0 0 516.685 4.389 40 10 KICBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4O)[NH2+][C@@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@@H]3C2=O)cc1C ZINC000009450907 553265929 /nfs/dbraw/zinc/26/59/29/553265929.db2.gz MTYRNJBYRTZUPC-NHICWYPXSA-N 0 0 509.562 4.007 40 10 KICBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](Cc2c[nH]c4ccccc24)(C(=O)[O-])[NH2+][C@@H]3c2ccccc2O)cc1C ZINC000009450912 553265948 /nfs/dbraw/zinc/26/59/48/553265948.db2.gz MTYRNJBYRTZUPC-YYZJCXNBSA-N 0 0 509.562 4.007 40 10 KICBRN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](Cc2c[nH]c4ccccc24)(C(=O)[O-])[NH2+][C@@H]3c2ccccc2O)c1 ZINC000009488716 553273077 /nfs/dbraw/zinc/27/30/77/553273077.db2.gz IIVZPOSHWDJSRJ-YYZJCXNBSA-N 0 0 509.562 4.007 40 10 KICBRN COc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000009777924 553306897 /nfs/dbraw/zinc/30/68/97/553306897.db2.gz GNLLPJOVKLZKET-XPWALMASSA-N 0 0 501.922 4.039 40 10 KICBRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000010113115 553328728 /nfs/dbraw/zinc/32/87/28/553328728.db2.gz UFNXJYIFCWIFBB-UHFFFAOYSA-N 0 0 523.655 4.206 40 10 KICBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000010113116 553328737 /nfs/dbraw/zinc/32/87/37/553328737.db2.gz MFWKJEFRRAYOKB-UHFFFAOYSA-N 0 0 523.655 4.206 40 10 KICBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000010113122 553328762 /nfs/dbraw/zinc/32/87/62/553328762.db2.gz IMVAUNJOGWCJOY-UHFFFAOYSA-N 0 0 508.600 4.097 40 10 KICBRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)Oc3ccccc32)cc1 ZINC000010113211 553328960 /nfs/dbraw/zinc/32/89/60/553328960.db2.gz GRIONHOSWWJWAP-HHHXNRCGSA-N 0 0 505.640 4.258 40 10 KICBRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)Oc3ccccc32)cc1 ZINC000010113212 553328967 /nfs/dbraw/zinc/32/89/67/553328967.db2.gz GRIONHOSWWJWAP-MHZLTWQESA-N 0 0 505.640 4.258 40 10 KICBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000010113332 553329121 /nfs/dbraw/zinc/32/91/21/553329121.db2.gz POSKEGHKHRHIMC-UHFFFAOYSA-N 0 0 521.683 4.467 40 10 KICBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccc(Cl)c2C)cc1 ZINC000010113340 553329132 /nfs/dbraw/zinc/32/91/32/553329132.db2.gz ZWACHELZJCMHEB-UHFFFAOYSA-N 0 0 528.074 4.305 40 10 KICBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000010113341 553329140 /nfs/dbraw/zinc/32/91/40/553329140.db2.gz JJZVQWATGITYCU-UHFFFAOYSA-N 0 0 528.074 4.305 40 10 KICBRN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1 ZINC000010113364 553329142 /nfs/dbraw/zinc/32/91/42/553329142.db2.gz XXAAWIPROFKHBN-UHFFFAOYSA-N 0 0 525.696 4.065 40 10 KICBRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000010113370 553329107 /nfs/dbraw/zinc/32/91/07/553329107.db2.gz CFKBZSCWWNFBNU-UHFFFAOYSA-N 0 0 514.047 4.073 40 10 KICBRN Cc1ccc(N(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000010113374 553329136 /nfs/dbraw/zinc/32/91/36/553329136.db2.gz KQTQFHUVOZAJGA-UHFFFAOYSA-N 0 0 507.656 4.036 40 10 KICBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010113392 553329083 /nfs/dbraw/zinc/32/90/83/553329083.db2.gz AJNYCDUATKWVAL-UHFFFAOYSA-N 0 0 537.726 4.073 40 10 KICBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000010113544 553329290 /nfs/dbraw/zinc/32/92/90/553329290.db2.gz NWQRAZYHPGIEQC-UHFFFAOYSA-N 0 0 523.655 4.124 40 10 KICBRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010113545 553329328 /nfs/dbraw/zinc/32/93/28/553329328.db2.gz CIMVCINEJJZZQR-UHFFFAOYSA-N 0 0 523.655 4.124 40 10 KICBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000010113546 553329322 /nfs/dbraw/zinc/32/93/22/553329322.db2.gz NRHWBMQILWMUCV-UHFFFAOYSA-N 0 0 523.655 4.124 40 10 KICBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)cc2)cc1OC ZINC000010113573 553329325 /nfs/dbraw/zinc/32/93/25/553329325.db2.gz IOMUVVLOZJEBTG-UHFFFAOYSA-N 0 0 523.655 4.124 40 10 KICBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)cc1 ZINC000010113579 553329329 /nfs/dbraw/zinc/32/93/29/553329329.db2.gz NSNWQGZGRKDJAF-UHFFFAOYSA-N 0 0 514.047 4.461 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](C)N4S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000010327102 553333668 /nfs/dbraw/zinc/33/36/68/553333668.db2.gz BVCFBCBELCFSDK-NRFANRHFSA-N 0 0 505.640 4.106 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000010327103 553333637 /nfs/dbraw/zinc/33/36/37/553333637.db2.gz BVCFBCBELCFSDK-OAQYLSRUSA-N 0 0 505.640 4.106 40 10 KICBRN CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C\C=C/c3ccccc3)SC2=S)CC1 ZINC000011612296 553339187 /nfs/dbraw/zinc/33/91/87/553339187.db2.gz DAKWPWKZMCNSOD-XWZIBCNGSA-N 0 0 501.674 4.305 40 10 KICBRN Cc1c(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000012032444 553350226 /nfs/dbraw/zinc/35/02/26/553350226.db2.gz XBSZWBJVEUDVHF-LTGZKZEYSA-N 0 0 506.653 4.413 40 10 KICBRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3)[C@@H](C(=O)NC(C)(C)C)c3ccc(N(C)C)cc3)n2)o1 ZINC000012470726 553368353 /nfs/dbraw/zinc/36/83/53/553368353.db2.gz BHRIMZVOOCPZEC-AREMUKBSSA-N 0 0 529.645 4.305 40 10 KICBRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3)[C@H](C(=O)NC(C)(C)C)c3ccc(N(C)C)cc3)n2)o1 ZINC000012470730 553368342 /nfs/dbraw/zinc/36/83/42/553368342.db2.gz BHRIMZVOOCPZEC-SANMLTNESA-N 0 0 529.645 4.305 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000012475749 553370986 /nfs/dbraw/zinc/37/09/86/553370986.db2.gz BNTUOCVTUAZJKC-HHHXNRCGSA-N 0 0 517.561 4.205 40 10 KICBRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000012475756 553371008 /nfs/dbraw/zinc/37/10/08/553371008.db2.gz BNTUOCVTUAZJKC-MHZLTWQESA-N 0 0 517.561 4.205 40 10 KICBRN COc1ccc(N2CCN(C(=O)CSc3nnc(Cc4csc(Nc5ccccc5)n4)o3)CC2)cc1 ZINC000012636374 553406947 /nfs/dbraw/zinc/40/69/47/553406947.db2.gz FETNAMJZTRXBRZ-UHFFFAOYSA-N 0 0 522.656 4.310 40 10 KICBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 ZINC000013025020 553435358 /nfs/dbraw/zinc/43/53/58/553435358.db2.gz CAJMDUDJJVTKFB-NDEPHWFRSA-N 0 0 531.609 4.287 40 10 KICBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 ZINC000013025022 553435346 /nfs/dbraw/zinc/43/53/46/553435346.db2.gz CAJMDUDJJVTKFB-MUUNZHRXSA-N 0 0 531.609 4.287 40 10 KICBRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025075 553435309 /nfs/dbraw/zinc/43/53/09/553435309.db2.gz ZBPYABJTGCRYFS-HHHXNRCGSA-N 0 0 531.609 4.350 40 10 KICBRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 ZINC000013025077 553435373 /nfs/dbraw/zinc/43/53/73/553435373.db2.gz ZBPYABJTGCRYFS-MHZLTWQESA-N 0 0 531.609 4.350 40 10 KICBRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025079 553435320 /nfs/dbraw/zinc/43/53/20/553435320.db2.gz SLXFNJCIHKHEKS-HHHXNRCGSA-N 0 0 531.609 4.350 40 10 KICBRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013025081 553435369 /nfs/dbraw/zinc/43/53/69/553435369.db2.gz SLXFNJCIHKHEKS-MHZLTWQESA-N 0 0 531.609 4.350 40 10 KICBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000013025104 553435487 /nfs/dbraw/zinc/43/54/87/553435487.db2.gz YKNWKMJVODIRPH-MHZLTWQESA-N 0 0 517.582 4.292 40 10 KICBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000013025106 553435446 /nfs/dbraw/zinc/43/54/46/553435446.db2.gz YKNWKMJVODIRPH-HHHXNRCGSA-N 0 0 517.582 4.292 40 10 KICBRN O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000013025109 553435451 /nfs/dbraw/zinc/43/54/51/553435451.db2.gz ZLFNEGJPZAIFDV-NDEPHWFRSA-N 0 0 531.609 4.334 40 10 KICBRN O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000013025111 553435454 /nfs/dbraw/zinc/43/54/54/553435454.db2.gz ZLFNEGJPZAIFDV-MUUNZHRXSA-N 0 0 531.609 4.334 40 10 KICBRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000013028470 553437862 /nfs/dbraw/zinc/43/78/62/553437862.db2.gz CVNKNTZQLBBTHN-MUUNZHRXSA-N 0 0 512.658 4.491 40 10 KICBRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000013028473 553437837 /nfs/dbraw/zinc/43/78/37/553437837.db2.gz CVNKNTZQLBBTHN-NDEPHWFRSA-N 0 0 512.658 4.491 40 10 KICBRN CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496351 553464012 /nfs/dbraw/zinc/46/40/12/553464012.db2.gz ODJZAFKLRXVZBM-AREMUKBSSA-N 0 0 528.661 4.448 40 10 KICBRN CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496353 553463989 /nfs/dbraw/zinc/46/39/89/553463989.db2.gz ODJZAFKLRXVZBM-SANMLTNESA-N 0 0 528.661 4.448 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3CCc3ccccc3)c3ccc4ncccc4c3)CC2)cc1 ZINC000013511895 553467571 /nfs/dbraw/zinc/46/75/71/553467571.db2.gz LODMJJMLIPVOLD-LJAQVGFWSA-N 0 0 505.626 4.384 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3CCc3ccccc3)c3ccc4ncccc4c3)CC2)cc1 ZINC000013511898 553467591 /nfs/dbraw/zinc/46/75/91/553467591.db2.gz LODMJJMLIPVOLD-GDLZYMKVSA-N 0 0 505.626 4.384 40 10 KICBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]21 ZINC000013512593 553467741 /nfs/dbraw/zinc/46/77/41/553467741.db2.gz FAFWLOVVHCVDRI-FDFHNCONSA-N 0 0 516.347 4.453 40 10 KICBRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000013523422 553468396 /nfs/dbraw/zinc/46/83/96/553468396.db2.gz CCYOGBMCPRPJMC-QVIHXGFCSA-N 0 0 503.515 4.444 40 10 KICBRN O=C([O-])[C@@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000013556376 553471143 /nfs/dbraw/zinc/47/11/43/553471143.db2.gz RGTNXIYIQXCACV-KVOKEACQSA-N 0 0 515.953 4.043 40 10 KICBRN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccccc4O)[NH2+][C@@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@@H]3C2=O)c1 ZINC000013556975 553471350 /nfs/dbraw/zinc/47/13/50/553471350.db2.gz IIVZPOSHWDJSRJ-NHICWYPXSA-N 0 0 509.562 4.007 40 10 KICBRN CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000013564617 553472270 /nfs/dbraw/zinc/47/22/70/553472270.db2.gz KFTLMYAIDHLIOW-UHFFFAOYSA-N 0 0 504.562 4.105 40 10 KICBRN COc1ccc(N2CCN(C(=O)Cn3c(C(=O)OC(C)C)cc4c3ccn4-c3ccc(F)cc3)CC2)cc1 ZINC000013565038 553472679 /nfs/dbraw/zinc/47/26/79/553472679.db2.gz IICCRURNQQSQLE-UHFFFAOYSA-N 0 0 518.589 4.494 40 10 KICBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cc1 ZINC000013631829 553478511 /nfs/dbraw/zinc/47/85/11/553478511.db2.gz XFKMMGBLTXEDBJ-UHFFFAOYSA-N 0 0 511.619 4.336 40 10 KICBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000013632022 553478516 /nfs/dbraw/zinc/47/85/16/553478516.db2.gz WBCZZVWGXCACBT-UHFFFAOYSA-N 0 0 528.074 4.305 40 10 KICBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013646308 553479861 /nfs/dbraw/zinc/47/98/61/553479861.db2.gz FHNGWBVBFZCQHZ-UHFFFAOYSA-N 0 0 514.047 4.461 40 10 KICBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013646867 553480012 /nfs/dbraw/zinc/48/00/12/553480012.db2.gz FVKPKPBOYDVQSE-UHFFFAOYSA-N 0 0 511.619 4.336 40 10 KICBRN CCN(c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013647118 553480026 /nfs/dbraw/zinc/48/00/26/553480026.db2.gz KEKDKNGHEMWJHK-UHFFFAOYSA-N 0 0 525.696 4.390 40 10 KICBRN CC(C)c1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013647144 553480014 /nfs/dbraw/zinc/48/00/14/553480014.db2.gz VKVCTJPQAPWRAP-UHFFFAOYSA-N 0 0 507.656 4.158 40 10 KICBRN COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013647950 553480329 /nfs/dbraw/zinc/48/03/29/553480329.db2.gz GKAWOKZCKROUNP-UHFFFAOYSA-N 0 0 507.656 4.424 40 10 KICBRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1OC ZINC000013649084 553480342 /nfs/dbraw/zinc/48/03/42/553480342.db2.gz LYKUZGLAEKLNJU-UHFFFAOYSA-N 0 0 509.628 4.059 40 10 KICBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cccc(Cl)c2)cc1 ZINC000013649539 553480586 /nfs/dbraw/zinc/48/05/86/553480586.db2.gz LYKRFRJMWUKRKW-UHFFFAOYSA-N 0 0 514.047 4.461 40 10 KICBRN Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000013649790 553480469 /nfs/dbraw/zinc/48/04/69/553480469.db2.gz GOJJRXDFOAQDAA-UHFFFAOYSA-N 0 0 528.074 4.305 40 10 KICBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000013667677 553480919 /nfs/dbraw/zinc/48/09/19/553480919.db2.gz IIDLTISYIFKHQJ-LJAQVGFWSA-N 0 0 501.652 4.270 40 10 KICBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000013667682 553480913 /nfs/dbraw/zinc/48/09/13/553480913.db2.gz IIDLTISYIFKHQJ-GDLZYMKVSA-N 0 0 501.652 4.270 40 10 KICBRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(F)cc2)cc1 ZINC000013667726 553480935 /nfs/dbraw/zinc/48/09/35/553480935.db2.gz CZORIAGDNGIHCS-UHFFFAOYSA-N 0 0 511.619 4.336 40 10 KICBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013668974 553481283 /nfs/dbraw/zinc/48/12/83/553481283.db2.gz JFPYTSZMIJWDEI-UHFFFAOYSA-N 0 0 503.974 4.432 40 10 KICBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)c1cccc(Cl)c1 ZINC000013669318 553481268 /nfs/dbraw/zinc/48/12/68/553481268.db2.gz TYOMOHTVMXZVQM-UHFFFAOYSA-N 0 0 514.047 4.073 40 10 KICBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000013669934 553481446 /nfs/dbraw/zinc/48/14/46/553481446.db2.gz YYVYKSQBQQFVSN-UHFFFAOYSA-N 0 0 508.600 4.097 40 10 KICBRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000013670207 553481653 /nfs/dbraw/zinc/48/16/53/553481653.db2.gz MVUAYIMOWFJELN-UHFFFAOYSA-N 0 0 528.074 4.305 40 10 KICBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000013670589 553481817 /nfs/dbraw/zinc/48/18/17/553481817.db2.gz ONHRCEMUJSOQFQ-UHFFFAOYSA-N 0 0 523.655 4.206 40 10 KICBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2OC)cc1 ZINC000013670594 553481831 /nfs/dbraw/zinc/48/18/31/553481831.db2.gz LGUNAZCHDBCTNF-UHFFFAOYSA-N 0 0 523.655 4.206 40 10 KICBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1OC ZINC000013672435 553482311 /nfs/dbraw/zinc/48/23/11/553482311.db2.gz VCBSMHFFRUNQEN-UHFFFAOYSA-N 0 0 523.655 4.206 40 10 KICBRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)cc1OC ZINC000013673037 553482321 /nfs/dbraw/zinc/48/23/21/553482321.db2.gz DSPXMXBJDHJLKH-UHFFFAOYSA-N 0 0 523.655 4.449 40 10 KICBRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000013673224 553482262 /nfs/dbraw/zinc/48/22/62/553482262.db2.gz SENUTULXAGKILN-UHFFFAOYSA-N 0 0 511.669 4.000 40 10 KICBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000013675871 553482787 /nfs/dbraw/zinc/48/27/87/553482787.db2.gz JRSBHMWZZWBLLV-UHFFFAOYSA-N 0 0 507.656 4.338 40 10 KICBRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000013676061 553482776 /nfs/dbraw/zinc/48/27/76/553482776.db2.gz SLOLSTBYCCTKKS-UHFFFAOYSA-N 0 0 514.047 4.073 40 10 KICBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000013676270 553482785 /nfs/dbraw/zinc/48/27/85/553482785.db2.gz ZWGFZLCSGNAHRW-UHFFFAOYSA-N 0 0 503.974 4.432 40 10 KICBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013676423 553482793 /nfs/dbraw/zinc/48/27/93/553482793.db2.gz DPSZIRUWCVQZQU-UHFFFAOYSA-N 0 0 514.047 4.461 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc(CN(c4cccc(Cl)c4)S(C)(=O)=O)cc3)CC2)cc1 ZINC000013677965 553483336 /nfs/dbraw/zinc/48/33/36/553483336.db2.gz LVHWDUVLEWMFKT-UHFFFAOYSA-N 0 0 514.047 4.277 40 10 KICBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000014273729 553506743 /nfs/dbraw/zinc/50/67/43/553506743.db2.gz XYYAEPCCWONFCQ-UHFFFAOYSA-N 0 0 500.964 4.354 40 10 KICBRN COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(OCc4ccccc4)c3)CC2)c([N+](=O)[O-])c1 ZINC000014273736 553506781 /nfs/dbraw/zinc/50/67/81/553506781.db2.gz SKQFYBNMAZKPAC-UHFFFAOYSA-N 0 0 506.584 4.019 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3cc4ccccc4c(Br)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000014277363 553510147 /nfs/dbraw/zinc/51/01/47/553510147.db2.gz GZTHIVYGBDMZOC-UHFFFAOYSA-N 0 0 500.349 4.490 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000014414004 553517092 /nfs/dbraw/zinc/51/70/92/553517092.db2.gz OCDTZLTWFGHVRZ-UHFFFAOYSA-N 0 0 535.710 4.203 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(C3CCCCC3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000014414266 553517106 /nfs/dbraw/zinc/51/71/06/553517106.db2.gz IRZSVQKFGWAHRA-UHFFFAOYSA-N 0 0 513.704 4.293 40 10 KICBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014414397 553517098 /nfs/dbraw/zinc/51/70/98/553517098.db2.gz NKGJQPDUCDQUHG-AQTBWJFISA-N 0 0 502.361 4.087 40 10 KICBRN COc1ccc(N2N=C(C)/C(=C/NN3C(=O)c4cccc5c(Br)ccc(c54)C3=O)C2=O)cc1 ZINC000016160676 553555623 /nfs/dbraw/zinc/55/56/23/553555623.db2.gz RSRQVFGEMWPKRX-UNOMPAQXSA-N 0 0 505.328 4.018 40 10 KICBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000016186397 553555952 /nfs/dbraw/zinc/55/59/52/553555952.db2.gz UJUOEOWPPWUISA-NULZLWRNSA-N 0 0 523.658 4.402 40 10 KICBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000016186399 553555990 /nfs/dbraw/zinc/55/59/90/553555990.db2.gz UJUOEOWPPWUISA-HRIDGTDGSA-N 0 0 523.658 4.402 40 10 KICBRN CCN1C(=O)C(=Cc2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)C(=O)N(CC)C1=S ZINC000016681451 553572031 /nfs/dbraw/zinc/57/20/31/553572031.db2.gz UVFKNVMKCSMNHG-UHFFFAOYSA-N 0 0 517.401 4.056 40 10 KICBRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000018021065 553601461 /nfs/dbraw/zinc/60/14/61/553601461.db2.gz RYPUVJTXNMPBRA-VJBWXMMDSA-N 0 0 505.596 4.269 40 10 KICBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000018077512 553603377 /nfs/dbraw/zinc/60/33/77/553603377.db2.gz WGAISVGMHAGGNC-RJGXRXQPSA-N 0 0 501.922 4.434 40 10 KICBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000018077515 553603599 /nfs/dbraw/zinc/60/35/99/553603599.db2.gz WGAISVGMHAGGNC-VABKMULXSA-N 0 0 501.922 4.434 40 10 KICBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000018122595 553605392 /nfs/dbraw/zinc/60/53/92/553605392.db2.gz IJOBVPOSOHDULB-FDFHNCONSA-N 0 0 516.347 4.453 40 10 KICBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000018123205 553605383 /nfs/dbraw/zinc/60/53/83/553605383.db2.gz JIPHVOKKOBXSDY-BHIFYINESA-N 0 0 516.347 4.453 40 10 KICBRN Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]32)c1 ZINC000018142536 553606034 /nfs/dbraw/zinc/60/60/34/553606034.db2.gz AJNYTLBAQWGHPI-FDFHNCONSA-N 0 0 516.347 4.453 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000018180629 553607616 /nfs/dbraw/zinc/60/76/16/553607616.db2.gz KSAZRMOMQDSNSF-QHAWAJNXSA-N 0 0 502.320 4.144 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000018180631 553607739 /nfs/dbraw/zinc/60/77/39/553607739.db2.gz KSAZRMOMQDSNSF-HKBOAZHASA-N 0 0 502.320 4.144 40 10 KICBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000018181594 553607770 /nfs/dbraw/zinc/60/77/70/553607770.db2.gz AWHFENNDWCBMRU-BHIFYINESA-N 0 0 516.893 4.252 40 10 KICBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000018181597 553607775 /nfs/dbraw/zinc/60/77/75/553607775.db2.gz AWHFENNDWCBMRU-FSSWDIPSSA-N 0 0 516.893 4.252 40 10 KICBRN Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)c1 ZINC000018249417 553611288 /nfs/dbraw/zinc/61/12/88/553611288.db2.gz CEAJVYIEGZCGCK-FDFHNCONSA-N 0 0 516.347 4.453 40 10 KICBRN CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 ZINC000018249463 553611322 /nfs/dbraw/zinc/61/13/22/553611322.db2.gz IPVRXYPKVIERMQ-TZRRMPRUSA-N 0 0 510.502 4.161 40 10 KICBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]32)cc1 ZINC000018284562 553612192 /nfs/dbraw/zinc/61/21/92/553612192.db2.gz OOANICOMFJQBMH-BHIFYINESA-N 0 0 516.347 4.453 40 10 KICBRN Oc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(O)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000019364893 553613691 /nfs/dbraw/zinc/61/36/91/553613691.db2.gz FZGHXOVPCVCAHJ-ACHIHNKUSA-N 0 0 570.598 4.463 40 10 KICBRN Oc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(O)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000019364894 553613792 /nfs/dbraw/zinc/61/37/92/553613792.db2.gz FZGHXOVPCVCAHJ-MEKGRNQZSA-N 0 0 570.598 4.463 40 10 KICBRN Oc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(O)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000019364896 553613863 /nfs/dbraw/zinc/61/38/63/553613863.db2.gz FZGHXOVPCVCAHJ-ROJLCIKYSA-N 0 0 570.598 4.463 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4cc(C)ccc4[nH]c3=O)CC2)cc1 ZINC000019826063 553621701 /nfs/dbraw/zinc/62/17/01/553621701.db2.gz POLQGVPWMBAFIA-HHHXNRCGSA-N 0 0 513.646 4.248 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4cc(C)ccc4[nH]c3=O)CC2)cc1 ZINC000019826066 553621683 /nfs/dbraw/zinc/62/16/83/553621683.db2.gz POLQGVPWMBAFIA-MHZLTWQESA-N 0 0 513.646 4.248 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4cccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019826311 193890048 /nfs/dbraw/zinc/89/00/48/193890048.db2.gz ZNVGQEIKVRMFOC-HHHXNRCGSA-N 0 0 513.646 4.248 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4cccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019826314 193890008 /nfs/dbraw/zinc/89/00/08/193890008.db2.gz ZNVGQEIKVRMFOC-MHZLTWQESA-N 0 0 513.646 4.248 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3cc4ccc(C)c(C)c4[nH]c3=O)CC2)cc1 ZINC000019826474 553622187 /nfs/dbraw/zinc/62/21/87/553622187.db2.gz DHYBUBPTQWNINZ-HHHXNRCGSA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3cc4ccc(C)c(C)c4[nH]c3=O)CC2)cc1 ZINC000019826479 553622157 /nfs/dbraw/zinc/62/21/57/553622157.db2.gz DHYBUBPTQWNINZ-MHZLTWQESA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940285 553638397 /nfs/dbraw/zinc/63/83/97/553638397.db2.gz AZQUUDFJXUKUNC-HHHXNRCGSA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940286 553638388 /nfs/dbraw/zinc/63/83/88/553638388.db2.gz AZQUUDFJXUKUNC-MHZLTWQESA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4ccc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940570 553639761 /nfs/dbraw/zinc/63/97/61/553639761.db2.gz AFVWWLPDLGFJDG-HHHXNRCGSA-N 0 0 513.646 4.248 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4ccc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940571 553639740 /nfs/dbraw/zinc/63/97/40/553639740.db2.gz AFVWWLPDLGFJDG-MHZLTWQESA-N 0 0 513.646 4.248 40 10 KICBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019940688 553640454 /nfs/dbraw/zinc/64/04/54/553640454.db2.gz MDMMAHVOYYQEHF-HHHXNRCGSA-N 0 0 513.646 4.112 40 10 KICBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019940689 553640423 /nfs/dbraw/zinc/64/04/23/553640423.db2.gz MDMMAHVOYYQEHF-MHZLTWQESA-N 0 0 513.646 4.112 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940762 553640955 /nfs/dbraw/zinc/64/09/55/553640955.db2.gz PDDKVZGGDNSBSP-HHHXNRCGSA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940763 553640952 /nfs/dbraw/zinc/64/09/52/553640952.db2.gz PDDKVZGGDNSBSP-MHZLTWQESA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940854 553641534 /nfs/dbraw/zinc/64/15/34/553641534.db2.gz CLDRIMMEWWJRQM-HHHXNRCGSA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940855 553641518 /nfs/dbraw/zinc/64/15/18/553641518.db2.gz CLDRIMMEWWJRQM-MHZLTWQESA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940932 553641914 /nfs/dbraw/zinc/64/19/14/553641914.db2.gz HOQSNBRDFSEUKJ-HHHXNRCGSA-N 0 0 513.646 4.167 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940933 553641978 /nfs/dbraw/zinc/64/19/78/553641978.db2.gz HOQSNBRDFSEUKJ-MHZLTWQESA-N 0 0 513.646 4.167 40 10 KICBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019941453 553644505 /nfs/dbraw/zinc/64/45/05/553644505.db2.gz GCTQETVOGUBMMC-AREMUKBSSA-N 0 0 515.662 4.142 40 10 KICBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019941454 553644515 /nfs/dbraw/zinc/64/45/15/553644515.db2.gz GCTQETVOGUBMMC-SANMLTNESA-N 0 0 515.662 4.142 40 10 KICBRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000019941682 553645831 /nfs/dbraw/zinc/64/58/31/553645831.db2.gz PQINHBIAIOLOCR-SANMLTNESA-N 0 0 515.662 4.197 40 10 KICBRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000019941683 553645784 /nfs/dbraw/zinc/64/57/84/553645784.db2.gz PQINHBIAIOLOCR-AREMUKBSSA-N 0 0 515.662 4.197 40 10 KICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3coc4ccc(Cl)cc4c3=O)CC2)cc1 ZINC000019973717 553652548 /nfs/dbraw/zinc/65/25/48/553652548.db2.gz QUYYJRYSZSBYGM-VWLOTQADSA-N 0 0 521.021 4.468 40 10 KICBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3coc4ccc(Cl)cc4c3=O)CC2)cc1 ZINC000019973718 553652536 /nfs/dbraw/zinc/65/25/36/553652536.db2.gz QUYYJRYSZSBYGM-RUZDIDTESA-N 0 0 521.021 4.468 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020060657 553672012 /nfs/dbraw/zinc/67/20/12/553672012.db2.gz ABAWXUHAEJYZLU-UHFFFAOYSA-N 0 0 514.047 4.201 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020060692 553671964 /nfs/dbraw/zinc/67/19/64/553671964.db2.gz MWAFTAUHVBEFKL-UHFFFAOYSA-N 0 0 507.656 4.165 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)CC2)cc1 ZINC000020060697 553672145 /nfs/dbraw/zinc/67/21/45/553672145.db2.gz NQXQIROSOZPZJG-UHFFFAOYSA-N 0 0 514.047 4.277 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020060705 553672205 /nfs/dbraw/zinc/67/22/05/553672205.db2.gz YRJQESRWFLHDBF-UHFFFAOYSA-N 0 0 514.047 4.201 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 ZINC000020060807 553672705 /nfs/dbraw/zinc/67/27/05/553672705.db2.gz LYWRKNRBBCQPDC-UHFFFAOYSA-N 0 0 525.696 4.270 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020060824 553672673 /nfs/dbraw/zinc/67/26/73/553672673.db2.gz ZLQZPBMVUPKCKQ-UHFFFAOYSA-N 0 0 507.656 4.165 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)CC2)cc1 ZINC000020060979 553673769 /nfs/dbraw/zinc/67/37/69/553673769.db2.gz XOUGUSYQCNZSEM-UHFFFAOYSA-N 0 0 507.656 4.241 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020061005 553673696 /nfs/dbraw/zinc/67/36/96/553673696.db2.gz YYEDRUDPCHIIJU-UHFFFAOYSA-N 0 0 507.656 4.165 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020061068 553673911 /nfs/dbraw/zinc/67/39/11/553673911.db2.gz PRJSGPAYLXZYRG-UHFFFAOYSA-N 0 0 514.047 4.201 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020061109 553674274 /nfs/dbraw/zinc/67/42/74/553674274.db2.gz IUZOORPHPDVCSG-UHFFFAOYSA-N 0 0 514.047 4.201 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020061222 553674667 /nfs/dbraw/zinc/67/46/67/553674667.db2.gz OZGXBOVXGPHPPU-UHFFFAOYSA-N 0 0 514.047 4.201 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020061273 553675045 /nfs/dbraw/zinc/67/50/45/553675045.db2.gz MFHUDYNYGQCTKW-UHFFFAOYSA-N 0 0 514.047 4.201 40 10 KICBRN CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020079627 553676828 /nfs/dbraw/zinc/67/68/28/553676828.db2.gz MEPOJTAJIUIZOL-SANMLTNESA-N 0 0 515.662 4.197 40 10 KICBRN CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020079631 553676870 /nfs/dbraw/zinc/67/68/70/553676870.db2.gz MEPOJTAJIUIZOL-AREMUKBSSA-N 0 0 515.662 4.197 40 10 KICBRN CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020079784 553677376 /nfs/dbraw/zinc/67/73/76/553677376.db2.gz UJHOWCJBDJLLNR-SANMLTNESA-N 0 0 515.662 4.197 40 10 KICBRN CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020079787 553677390 /nfs/dbraw/zinc/67/73/90/553677390.db2.gz UJHOWCJBDJLLNR-AREMUKBSSA-N 0 0 515.662 4.197 40 10 KICBRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020079940 553677669 /nfs/dbraw/zinc/67/76/69/553677669.db2.gz BWERPFZFQJKAKP-SANMLTNESA-N 0 0 515.662 4.197 40 10 KICBRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020079942 553677650 /nfs/dbraw/zinc/67/76/50/553677650.db2.gz BWERPFZFQJKAKP-AREMUKBSSA-N 0 0 515.662 4.197 40 10 KICBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCOc2ccccc2OC)cc1 ZINC000020288882 553633990 /nfs/dbraw/zinc/63/39/90/553633990.db2.gz RNIYAOUHBXTXJT-BWAHOGKJSA-N 0 0 502.527 4.306 40 10 KICBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCSCc2[nH]cnc2C)cc1 ZINC000020288907 553634055 /nfs/dbraw/zinc/63/40/55/553634055.db2.gz VLMOZNOXYPEUEZ-QJOMJCCJSA-N 0 0 506.588 4.183 40 10 KICBRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000020368132 553643601 /nfs/dbraw/zinc/64/36/01/553643601.db2.gz NLVRURDWWRNKGZ-QFQXNSOFSA-N 0 0 513.685 4.152 40 10 KICBRN Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000020368134 553643562 /nfs/dbraw/zinc/64/35/62/553643562.db2.gz NLVRURDWWRNKGZ-HFZDXXHNSA-N 0 0 513.685 4.152 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](C)N4S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000020448719 553650416 /nfs/dbraw/zinc/65/04/16/553650416.db2.gz GDDBJVHAZRPEBB-IBGZPJMESA-N 0 0 526.058 4.451 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000020448722 553650695 /nfs/dbraw/zinc/65/06/95/553650695.db2.gz GDDBJVHAZRPEBB-LJQANCHMSA-N 0 0 526.058 4.451 40 10 KICBRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020453404 553652272 /nfs/dbraw/zinc/65/22/72/553652272.db2.gz JCPVWBWFFRNNEK-UHFFFAOYSA-N 0 0 510.487 4.452 40 10 KICBRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000020454997 553652539 /nfs/dbraw/zinc/65/25/39/553652539.db2.gz MUDOOWASFWDLHZ-UHFFFAOYSA-N 0 0 510.487 4.452 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3Cl)CC2)cc1 ZINC000020458075 553654062 /nfs/dbraw/zinc/65/40/62/553654062.db2.gz QNYMBGIXXVMFOH-UHFFFAOYSA-N 0 0 500.020 4.420 40 10 KICBRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000020483629 553658668 /nfs/dbraw/zinc/65/86/68/553658668.db2.gz GYSFQHQYCKZTRB-UHFFFAOYSA-N 0 0 500.020 4.216 40 10 KICBRN COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Br)cc(Br)c2OC)c1 ZINC000020528485 553669196 /nfs/dbraw/zinc/66/91/96/553669196.db2.gz LFCDPXSEEBVZFM-UHFFFAOYSA-N 0 0 500.187 4.318 40 10 KICBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2O)[NH2+][C@@]3(Cc2c[nH]c3ccccc23)C(=O)[O-])cc1C ZINC000020546454 553670919 /nfs/dbraw/zinc/67/09/19/553670919.db2.gz MTYRNJBYRTZUPC-DZNDNOMISA-N 0 0 509.562 4.007 40 10 KICBRN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2O)[NH2+][C@@]3(Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000020547402 553670863 /nfs/dbraw/zinc/67/08/63/553670863.db2.gz IIVZPOSHWDJSRJ-DZNDNOMISA-N 0 0 509.562 4.007 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020766194 553697224 /nfs/dbraw/zinc/69/72/24/553697224.db2.gz USBAYKYTNFFLSD-UHFFFAOYSA-N 0 0 505.640 4.108 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000020766573 553697552 /nfs/dbraw/zinc/69/75/52/553697552.db2.gz INLCRSMLVULSMM-UHFFFAOYSA-N 0 0 526.058 4.453 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000020767314 553697764 /nfs/dbraw/zinc/69/77/64/553697764.db2.gz HZVGYKNLTFJRIW-UHFFFAOYSA-N 0 0 526.058 4.453 40 10 KICBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2Cl)cc1 ZINC000022519909 553743936 /nfs/dbraw/zinc/74/39/36/553743936.db2.gz KMOOFFIPFHETFT-UHFFFAOYSA-N 0 0 500.020 4.216 40 10 KICBRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000022525648 553744906 /nfs/dbraw/zinc/74/49/06/553744906.db2.gz HHUBWEWHHXLKAG-UHFFFAOYSA-N 0 0 510.487 4.452 40 10 KICBRN COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(OC)c(O)c3)c3cc4c(cc3O)OCO4)CC2)cc1O ZINC000022859560 553762241 /nfs/dbraw/zinc/76/22/41/553762241.db2.gz QHCLJUXCDWUFBM-HEVIKAOCSA-N 0 0 630.650 4.480 40 10 KICBRN COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(OC)c(O)c3)c3cc4c(cc3O)OCO4)CC2)cc1O ZINC000022859561 553762164 /nfs/dbraw/zinc/76/21/64/553762164.db2.gz QHCLJUXCDWUFBM-AQOUDTPCSA-N 0 0 630.650 4.480 40 10 KICBRN COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(OC)c(O)c3)c3cc4c(cc3O)OCO4)CC2)cc1O ZINC000022859562 553762151 /nfs/dbraw/zinc/76/21/51/553762151.db2.gz QHCLJUXCDWUFBM-KKLWWLSJSA-N 0 0 630.650 4.480 40 10 KICBRN COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)ccc1O ZINC000022859564 553762191 /nfs/dbraw/zinc/76/21/91/553762191.db2.gz JNDFMQZGQIMBNM-HEVIKAOCSA-N 0 0 630.650 4.480 40 10 KICBRN COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)ccc1O ZINC000022859565 553762180 /nfs/dbraw/zinc/76/21/80/553762180.db2.gz JNDFMQZGQIMBNM-AQOUDTPCSA-N 0 0 630.650 4.480 40 10 KICBRN COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)ccc1O ZINC000022859567 553762210 /nfs/dbraw/zinc/76/22/10/553762210.db2.gz JNDFMQZGQIMBNM-KKLWWLSJSA-N 0 0 630.650 4.480 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000022861063 553762831 /nfs/dbraw/zinc/76/28/31/553762831.db2.gz MNEFHOATTOCGHR-UHFFFAOYSA-N 0 0 528.074 4.197 40 10 KICBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000022913740 553766560 /nfs/dbraw/zinc/76/65/60/553766560.db2.gz WNGXNLYLGITIOR-UHFFFAOYSA-N 0 0 532.710 4.113 40 10 KICBRN CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c([O-])c(CN3CC[NH+](C)CC3)c21 ZINC000023375533 553774775 /nfs/dbraw/zinc/77/47/75/553774775.db2.gz DFIFHOGOGKHDPV-UHFFFAOYSA-N 0 0 500.437 4.390 40 10 KICBRN Nc1c(-c2nnc(-c3ccc4c(c3N)C(=O)c3ccccc3C4=O)o2)ccc2c1C(=O)c1ccccc1C2=O ZINC000025559082 553810138 /nfs/dbraw/zinc/81/01/38/553810138.db2.gz HFLBGLHPZPFPAU-UHFFFAOYSA-N 0 0 512.481 4.119 40 10 KICBRN CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000026532483 553819150 /nfs/dbraw/zinc/81/91/50/553819150.db2.gz NQNKMJZGVRKNJJ-QJOMJCCJSA-N 0 0 521.668 4.246 40 10 KICBRN COc1ccc(S(=O)(=O)c2c(C)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C(C)C)c2[O-])cc1 ZINC000026786840 553821161 /nfs/dbraw/zinc/82/11/61/553821161.db2.gz DRFAUAGBHKBPRA-UHFFFAOYSA-N 0 0 520.585 4.374 40 10 KICBRN COc1ccc(S(=O)(=O)c2c([O-])c(C)cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1 ZINC000026786859 553821169 /nfs/dbraw/zinc/82/11/69/553821169.db2.gz MAZZJRATNKEMKK-UHFFFAOYSA-N 0 0 520.585 4.374 40 10 KICBRN CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S ZINC000027022660 553824331 /nfs/dbraw/zinc/82/43/31/553824331.db2.gz BDBLHTFTEUQSQD-KGENOOAVSA-N 0 0 512.682 4.399 40 10 KICBRN COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)CC2)cc1 ZINC000028208822 553838345 /nfs/dbraw/zinc/83/83/45/553838345.db2.gz VAGFCTMDKXFJEP-UHFFFAOYSA-N 0 0 519.667 4.118 40 10 KICBRN COc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 ZINC000032109354 553862891 /nfs/dbraw/zinc/86/28/91/553862891.db2.gz VVVYHDCBDDCPDK-ZMXGXFJXSA-N 0 0 500.964 4.454 40 10 KICBRN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000032109417 553862895 /nfs/dbraw/zinc/86/28/95/553862895.db2.gz QCJXVXBCSPXMAD-SCORJZKRSA-N 0 0 512.613 4.437 40 10 KICBRN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000032109420 553862885 /nfs/dbraw/zinc/86/28/85/553862885.db2.gz IMQCIVHHRCJOJB-SCORJZKRSA-N 0 0 509.544 4.336 40 10 KICBRN O=C(NN1C(=O)/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000032124599 553865641 /nfs/dbraw/zinc/86/56/41/553865641.db2.gz PIXNLSIXTBABJU-OCKHKDLRSA-N 0 0 519.670 4.128 40 10 KICBRN O=C1C(=Cc2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000032124847 553865944 /nfs/dbraw/zinc/86/59/44/553865944.db2.gz CFSLXHNIDDMZAL-UHFFFAOYSA-N 0 0 505.577 4.428 40 10 KICBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000032124904 553865966 /nfs/dbraw/zinc/86/59/66/553865966.db2.gz KQUPMSKLFLXFCT-YVLHZVERSA-N 0 0 510.018 4.187 40 10 KICBRN COc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000033337620 553921900 /nfs/dbraw/zinc/92/19/00/553921900.db2.gz YMCBMNDYUSEEAW-BKUYFWCQSA-N 0 0 511.987 4.381 40 10 KICBRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccccc3O)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000033354925 553932139 /nfs/dbraw/zinc/93/21/39/553932139.db2.gz JBKRFBGYALAVAK-PBUINREYSA-N 0 0 631.623 4.005 40 10 KICBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccccc3O)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000033354927 553932166 /nfs/dbraw/zinc/93/21/66/553932166.db2.gz JBKRFBGYALAVAK-BFTDMGKYSA-N 0 0 631.623 4.005 40 10 KICBRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@H](c3ccccc3O)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000033354929 553932144 /nfs/dbraw/zinc/93/21/44/553932144.db2.gz JBKRFBGYALAVAK-NQANNROTSA-N 0 0 631.623 4.005 40 10 KICBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@H](c3ccccc3O)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000033354931 553932122 /nfs/dbraw/zinc/93/21/22/553932122.db2.gz JBKRFBGYALAVAK-OELLZHLFSA-N 0 0 631.623 4.005 40 10 KICBRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000033621972 553964725 /nfs/dbraw/zinc/96/47/25/553964725.db2.gz UJUOEOWPPWUISA-USDTVRPUSA-N 0 0 523.658 4.402 40 10 KICBRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000033621973 553964698 /nfs/dbraw/zinc/96/46/98/553964698.db2.gz UJUOEOWPPWUISA-PKYOQBLNSA-N 0 0 523.658 4.402 40 10 KICBRN COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000033712925 553969860 /nfs/dbraw/zinc/96/98/60/553969860.db2.gz XAFBUUNCUDUTTC-ZHZULCJRSA-N 0 0 511.537 4.454 40 10 KICBRN COc1cccc(CN(Cc2ccccc2)C(=O)CNC(=O)c2ccc(-c3csc(N)n3)cc2)c1O ZINC000033815721 553974368 /nfs/dbraw/zinc/97/43/68/553974368.db2.gz OVDXUQLJRPYRTB-UHFFFAOYSA-N 0 0 502.596 4.065 40 10 KICBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)SC1=S ZINC000035980688 554117583 /nfs/dbraw/zinc/11/75/83/554117583.db2.gz DMILYCJQXMSZDS-RMXDPRFDSA-N 0 0 506.653 4.271 40 10 KICBRN CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C4CC4)C3=O)cc2OC)cc1 ZINC000036613114 554226357 /nfs/dbraw/zinc/22/63/57/554226357.db2.gz DCBOJGABPJITMN-BKUYFWCQSA-N 0 0 512.609 4.253 40 10 KICBRN Cc1c(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000036617149 554226249 /nfs/dbraw/zinc/22/62/49/554226249.db2.gz XQKLYPISTRPIFP-BOPFTXTBSA-N 0 0 502.415 4.358 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3Cl)CC2)cc1 ZINC000038753768 554275950 /nfs/dbraw/zinc/27/59/50/554275950.db2.gz OTSYJYPSPMQSDR-UHFFFAOYSA-N 0 0 500.020 4.420 40 10 KICBRN CC(=O)Nc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 ZINC000041076267 554291949 /nfs/dbraw/zinc/29/19/49/554291949.db2.gz SGAJUJUIXHEJRN-XYDJZCRXSA-N 0 0 517.489 4.284 40 10 KICBRN CC(=O)Nc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)cc2)cc1 ZINC000041076782 554292154 /nfs/dbraw/zinc/29/21/54/554292154.db2.gz JOHDWSLFVXMXGG-KYTOZCRMSA-N 0 0 515.551 4.363 40 10 KICBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)C2=N)S1 ZINC000041077790 554293239 /nfs/dbraw/zinc/29/32/39/554293239.db2.gz KRUQXUUHNUSHMW-MTLBIAMWSA-N 0 0 509.396 4.194 40 10 KICBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=N)S1 ZINC000041077793 554293220 /nfs/dbraw/zinc/29/32/20/554293220.db2.gz UXCAUGVIWIVVKR-YXZMWACZSA-N 0 0 509.396 4.194 40 10 KICBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=N)S1 ZINC000041077800 554293268 /nfs/dbraw/zinc/29/32/68/554293268.db2.gz ZWKRKKLWAJRSHL-ADKIWPJYSA-N 0 0 509.396 4.194 40 10 KICBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=N)S1 ZINC000041077825 554293478 /nfs/dbraw/zinc/29/34/78/554293478.db2.gz GYRWOFAVEMCSDF-YXZMWACZSA-N 0 0 509.396 4.194 40 10 KICBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=N)S1 ZINC000041077826 554293407 /nfs/dbraw/zinc/29/34/07/554293407.db2.gz JDSUNUKKVKBTGZ-JXFDPVBFSA-N 0 0 509.396 4.194 40 10 KICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000041078319 554293792 /nfs/dbraw/zinc/29/37/92/554293792.db2.gz SZRRRMMVGHWZHQ-IIVOTLPQSA-N 0 0 512.316 4.216 40 10 KICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] ZINC000041078350 554293743 /nfs/dbraw/zinc/29/37/43/554293743.db2.gz QHLJWJCTDFKFEX-UOMFMSKPSA-N 0 0 513.304 4.395 40 10 KICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000041078351 554293771 /nfs/dbraw/zinc/29/37/71/554293771.db2.gz XNUUSVBAIWGAMX-NSVROCRESA-N 0 0 513.304 4.395 40 10 KICBRN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2Br)cc1OC ZINC000041078409 554293700 /nfs/dbraw/zinc/29/37/00/554293700.db2.gz SMOJQMGSRJOZNG-GGHQPTPASA-N 0 0 512.316 4.136 40 10 KICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(F)cc1 ZINC000041078412 554293717 /nfs/dbraw/zinc/29/37/17/554293717.db2.gz GCYCPOJSDSKBOX-DQWSGNQTSA-N 0 0 500.280 4.266 40 10 KICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1F ZINC000041078415 554293754 /nfs/dbraw/zinc/29/37/54/554293754.db2.gz ROEGXCDWNFHMBG-GDBFUGMMSA-N 0 0 500.280 4.266 40 10 KICBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C2=N)S1 ZINC000041082921 554293988 /nfs/dbraw/zinc/29/39/88/554293988.db2.gz UTQGFLZBTSUNDQ-KUYAPCGNSA-N 0 0 521.628 4.102 40 10 KICBRN COc1cc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000041083313 554293948 /nfs/dbraw/zinc/29/39/48/554293948.db2.gz UHMRQINYBFFIGD-KZVRHOHFSA-N 0 0 521.599 4.387 40 10 KICBRN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccccc1 ZINC000041083327 554293969 /nfs/dbraw/zinc/29/39/69/554293969.db2.gz JQUIVAXKSSEIBF-VVHVNJFJSA-N 0 0 508.600 4.445 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000041083984 554294128 /nfs/dbraw/zinc/29/41/28/554294128.db2.gz OUECNPFFKXDSID-OJNZYWOCSA-N 0 0 512.613 4.237 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000041083986 554294160 /nfs/dbraw/zinc/29/41/60/554294160.db2.gz OUECNPFFKXDSID-ZQVYDNMNSA-N 0 0 512.613 4.237 40 10 KICBRN CCOc1cc(/C=C2\C(=O)N=C3SC(C)=NN3C2=N)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000041107965 554295231 /nfs/dbraw/zinc/29/52/31/554295231.db2.gz HCKYMEQHKUALOK-ZQCYNNBZSA-N 0 0 507.572 4.141 40 10 KICBRN CCC(CC)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C2=N)S1 ZINC000041108506 554295561 /nfs/dbraw/zinc/29/55/61/554295561.db2.gz RVRPTDOPIBIQOW-PPVBMKLASA-N 0 0 521.628 4.094 40 10 KICBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c(Cl)c2)cc1 ZINC000044845381 554304305 /nfs/dbraw/zinc/30/43/05/554304305.db2.gz CAXCDNNDFNEGIT-UHFFFAOYSA-N 0 0 500.020 4.216 40 10 KICBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000054360628 554349405 /nfs/dbraw/zinc/34/94/05/554349405.db2.gz YPMJUHZNLIGRHP-JWGURIENSA-N 0 0 500.642 4.053 40 10 KICBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000054360649 554349455 /nfs/dbraw/zinc/34/94/55/554349455.db2.gz LSMQRUYEHLIUAM-JWGURIENSA-N 0 0 500.642 4.053 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000058825328 554365336 /nfs/dbraw/zinc/36/53/36/554365336.db2.gz GOTZKQFYTIRFHJ-ABBNRAPFSA-N 0 0 527.646 4.214 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000058825333 554365381 /nfs/dbraw/zinc/36/53/81/554365381.db2.gz GOTZKQFYTIRFHJ-CSJROMOCSA-N 0 0 527.646 4.214 40 10 KICBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000058903816 554371313 /nfs/dbraw/zinc/37/13/13/554371313.db2.gz FOQAOVMUQIFVOC-JCMHNJIXSA-N 0 0 502.523 4.179 40 10 KICBRN Cc1ccc(OCCn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3cc(Br)ccc32)cc1 ZINC000059087221 554372125 /nfs/dbraw/zinc/37/21/25/554372125.db2.gz QJIBZADFFMGVAC-UHFFFAOYSA-N 0 0 512.429 4.390 40 10 KICBRN Cc1ccccc1OCCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2cc(Br)ccc21 ZINC000059087222 554372129 /nfs/dbraw/zinc/37/21/29/554372129.db2.gz CSTXFWLXDLSUTA-UHFFFAOYSA-N 0 0 512.429 4.390 40 10 KICBRN CN1C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C(=O)N(C)C1=S ZINC000059087223 554372183 /nfs/dbraw/zinc/37/21/83/554372183.db2.gz JFUDKDUHXVFVMD-UHFFFAOYSA-N 0 0 516.392 4.221 40 10 KICBRN CN1C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C(=O)N(C)C1=O ZINC000059087262 554372211 /nfs/dbraw/zinc/37/22/11/554372211.db2.gz ACYVSOPHTSEPFR-UHFFFAOYSA-N 0 0 500.324 4.056 40 10 KICBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000059139235 554383068 /nfs/dbraw/zinc/38/30/68/554383068.db2.gz LQNNIBVVVIQVMZ-UHFFFAOYSA-N 0 0 509.809 4.289 40 10 KICBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000059139518 554382995 /nfs/dbraw/zinc/38/29/95/554382995.db2.gz MMJCPDCMEPUBOG-UHFFFAOYSA-N 0 0 509.809 4.289 40 10 KICBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000059139549 554382989 /nfs/dbraw/zinc/38/29/89/554382989.db2.gz GDUGSHALBHUKJL-UHFFFAOYSA-N 0 0 509.809 4.289 40 10 KICBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000059139580 554383378 /nfs/dbraw/zinc/38/33/78/554383378.db2.gz GJYPFXSPZKGDCV-UHFFFAOYSA-N 0 0 509.809 4.289 40 10 KICBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000059139582 554383443 /nfs/dbraw/zinc/38/34/43/554383443.db2.gz AUPZOMVCHIWKET-UHFFFAOYSA-N 0 0 509.809 4.289 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000059139787 554383458 /nfs/dbraw/zinc/38/34/58/554383458.db2.gz NLNRNBLNXSWVPJ-UHFFFAOYSA-N 0 0 507.381 4.165 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000059139789 554383439 /nfs/dbraw/zinc/38/34/39/554383439.db2.gz AIVLJEVHXNYQID-UHFFFAOYSA-N 0 0 507.381 4.165 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000059139791 554383431 /nfs/dbraw/zinc/38/34/31/554383431.db2.gz SOGNQMXXGVUWAI-UHFFFAOYSA-N 0 0 507.381 4.165 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000059139793 554383411 /nfs/dbraw/zinc/38/34/11/554383411.db2.gz HQOSTDIZZYOGKX-UHFFFAOYSA-N 0 0 503.418 4.334 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000059139795 554383419 /nfs/dbraw/zinc/38/34/19/554383419.db2.gz YSGAWNPIJKUXNQ-UHFFFAOYSA-N 0 0 503.418 4.334 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1F ZINC000059139819 554383372 /nfs/dbraw/zinc/38/33/72/554383372.db2.gz QTLZONJFYADVPS-UHFFFAOYSA-N 0 0 507.381 4.165 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000059139821 554383421 /nfs/dbraw/zinc/38/34/21/554383421.db2.gz BDNVWLVXGYZZBH-UHFFFAOYSA-N 0 0 507.381 4.165 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000059139823 554383408 /nfs/dbraw/zinc/38/34/08/554383408.db2.gz BXBKMFZHRRYTLL-UHFFFAOYSA-N 0 0 507.381 4.165 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000059139826 554383368 /nfs/dbraw/zinc/38/33/68/554383368.db2.gz XBGDLIYMDVXETJ-UHFFFAOYSA-N 0 0 503.418 4.334 40 10 KICBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000059139829 554383382 /nfs/dbraw/zinc/38/33/82/554383382.db2.gz XPCSNLYNOQQBCU-UHFFFAOYSA-N 0 0 503.418 4.334 40 10 KICBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)C(=O)NC1=S ZINC000059182320 554383861 /nfs/dbraw/zinc/38/38/61/554383861.db2.gz OESUKERGSVSQPC-LDADJPATSA-N 0 0 517.449 4.180 40 10 KICBRN CCOC(=O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(N(C)C)cc3)C(C(=O)OCC)=C(C)N=4)o2)c1 ZINC000059247796 554386554 /nfs/dbraw/zinc/38/65/54/554386554.db2.gz YAXRESCDCVWZOM-OXWVMCNISA-N 0 0 585.682 4.301 40 10 KICBRN CCOC(=O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(N(C)C)cc3)C(C(=O)OCC)=C(C)N=4)o2)c1 ZINC000059247798 554386583 /nfs/dbraw/zinc/38/65/83/554386583.db2.gz YAXRESCDCVWZOM-FHMSYZJOSA-N 0 0 585.682 4.301 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000059247799 554386557 /nfs/dbraw/zinc/38/65/57/554386557.db2.gz IAQIPPWXSJGIRO-ZGOFBEGVSA-N 0 0 588.642 4.041 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000059247801 554386588 /nfs/dbraw/zinc/38/65/88/554386588.db2.gz IAQIPPWXSJGIRO-BIWBSIMWSA-N 0 0 588.642 4.041 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000059418472 554394629 /nfs/dbraw/zinc/39/46/29/554394629.db2.gz IEOROJKAXCEKHB-YMSBRDKKSA-N 0 0 526.058 4.004 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000059418473 554394668 /nfs/dbraw/zinc/39/46/68/554394668.db2.gz IEOROJKAXCEKHB-IGSWSUAKSA-N 0 0 526.058 4.004 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000059418530 193898051 /nfs/dbraw/zinc/89/80/51/193898051.db2.gz FXWACXPCWUBIRG-IVNHJSRESA-N 0 0 503.668 4.162 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000059418531 554395011 /nfs/dbraw/zinc/39/50/11/554395011.db2.gz FXWACXPCWUBIRG-PBMMVTTKSA-N 0 0 503.668 4.162 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000059433133 554395572 /nfs/dbraw/zinc/39/55/72/554395572.db2.gz GEKAYBNQQRMCAN-ABBNRAPFSA-N 0 0 527.646 4.214 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000059433135 554395605 /nfs/dbraw/zinc/39/56/05/554395605.db2.gz GEKAYBNQQRMCAN-CSJROMOCSA-N 0 0 527.646 4.214 40 10 KICBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)[C@@H]3CCCO3)C(C)(C)C2=S)S1 ZINC000059471498 554396582 /nfs/dbraw/zinc/39/65/82/554396582.db2.gz QKEVKALQSUGQJM-AWEZNQCLSA-N 0 0 505.639 4.067 40 10 KICBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)[C@H]3CCCO3)C(C)(C)C2=S)S1 ZINC000059471499 193899691 /nfs/dbraw/zinc/89/96/91/193899691.db2.gz QKEVKALQSUGQJM-CQSZACIVSA-N 0 0 505.639 4.067 40 10 KICBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)[C@@H]3CCCO3)C(C)(C)C2=S)S1 ZINC000059471500 554396645 /nfs/dbraw/zinc/39/66/45/554396645.db2.gz QLEVAMDTCHCVNG-HNNXBMFYSA-N 0 0 519.666 4.375 40 10 KICBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)[C@H]3CCCO3)C(C)(C)C2=S)S1 ZINC000059471501 554396641 /nfs/dbraw/zinc/39/66/41/554396641.db2.gz QLEVAMDTCHCVNG-OAHLLOKOSA-N 0 0 519.666 4.375 40 10 KICBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)[C@@H]3CCCO3)C(C)(C)C2=S)S1 ZINC000059471502 193899740 /nfs/dbraw/zinc/89/97/40/193899740.db2.gz AARKAJATUNVRQS-HNNXBMFYSA-N 0 0 519.666 4.375 40 10 KICBRN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)[C@H]3CCCO3)C(C)(C)C2=S)S1 ZINC000059471503 554396539 /nfs/dbraw/zinc/39/65/39/554396539.db2.gz AARKAJATUNVRQS-OAHLLOKOSA-N 0 0 519.666 4.375 40 10 KICBRN O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000059488076 554398239 /nfs/dbraw/zinc/39/82/39/554398239.db2.gz XNPDNFPBBZOTBC-UHFFFAOYSA-N 0 0 514.563 4.180 40 10 KICBRN CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059678151 554424389 /nfs/dbraw/zinc/42/43/89/554424389.db2.gz FELDJQVJDLYMHR-QPJBPQEWSA-N 0 0 508.603 4.293 40 10 KICBRN CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059678152 554424430 /nfs/dbraw/zinc/42/44/30/554424430.db2.gz FELDJQVJDLYMHR-QTTRZTASSA-N 0 0 508.603 4.293 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059881585 554456801 /nfs/dbraw/zinc/45/68/01/554456801.db2.gz YNEKGPDCDCPVLP-UHFFFAOYSA-N 0 0 544.471 4.002 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)CC2)cc1 ZINC000059881919 554457588 /nfs/dbraw/zinc/45/75/88/554457588.db2.gz MEECVXZBWQQQDV-UHFFFAOYSA-N 0 0 588.524 4.319 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000059882081 554457729 /nfs/dbraw/zinc/45/77/29/554457729.db2.gz WXLBMQMQUAEAGL-UHFFFAOYSA-N 0 0 558.498 4.310 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059889078 554472393 /nfs/dbraw/zinc/47/23/93/554472393.db2.gz CFPXKPMVHHJVSX-UHFFFAOYSA-N 0 0 533.572 4.258 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)CC2)cc1 ZINC000059928542 554476671 /nfs/dbraw/zinc/47/66/71/554476671.db2.gz KTDKGEWPRQJXGK-UHFFFAOYSA-N 0 0 544.073 4.042 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)CC2)cc1 ZINC000059928913 554477187 /nfs/dbraw/zinc/47/71/87/554477187.db2.gz HVQRFWMNMUCXRB-UHFFFAOYSA-N 0 0 544.073 4.042 40 10 KICBRN COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000059929279 554477811 /nfs/dbraw/zinc/47/78/11/554477811.db2.gz UEKKKWBUZZKWCW-XMMPIXPASA-N 0 0 548.492 4.240 40 10 KICBRN COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000059929282 554477831 /nfs/dbraw/zinc/47/78/31/554477831.db2.gz UEKKKWBUZZKWCW-DEOSSOPVSA-N 0 0 548.492 4.240 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3N(Cc3ccc(Cl)cc3)S(C)(=O)=O)CC2)cc1 ZINC000059930858 554480779 /nfs/dbraw/zinc/48/07/79/554480779.db2.gz JSZJIEDICSJBQX-UHFFFAOYSA-N 0 0 574.099 4.294 40 10 KICBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000066112155 554528246 /nfs/dbraw/zinc/52/82/46/554528246.db2.gz KQCDMSRADDCNMJ-YMWOEAMWSA-N 0 0 539.657 4.010 40 10 KICBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000066112156 554528263 /nfs/dbraw/zinc/52/82/63/554528263.db2.gz KQCDMSRADDCNMJ-LMKKRCETSA-N 0 0 539.657 4.010 40 10 KICBRN CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C[C@H](Cc1ccc(N)cc1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C ZINC000072130142 553640893 /nfs/dbraw/zinc/64/08/93/553640893.db2.gz NBILLEYSBXFQAU-VWLOTQADSA-N 0 0 621.816 4.151 40 10 in-vitro KICBRN CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(OC)c1C3=O)[C@@H](OC(=O)OCC)C[C@](O)(C(C)=O)C2 ZINC000077319750 553665178 /nfs/dbraw/zinc/66/51/78/553665178.db2.gz YJTXQIIZHCNWLB-PBYQXAPXSA-N 0 0 614.556 4.022 40 10 in-vitro KICBRN Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)c1 ZINC000095498610 553702510 /nfs/dbraw/zinc/70/25/10/553702510.db2.gz CEAJVYIEGZCGCK-BHIFYINESA-N 0 0 516.347 4.453 40 10 KICBRN CN(C)c1ccc(C=c2sc(=CS(=O)(=O)c3ccc(Cl)cc3)n(CC(=O)c3ccc(Br)cc3)c2=O)cc1 ZINC000096021871 553718198 /nfs/dbraw/zinc/71/81/98/553718198.db2.gz OQJOWCBEZBJCJU-BWYHIUGVSA-N 0 0 617.974 4.315 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(CC)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000096298813 553748729 /nfs/dbraw/zinc/74/87/29/553748729.db2.gz RYWBKIOCJMLTKQ-DSNGMDLFSA-N 0 0 523.541 4.121 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(CC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000096298814 553748697 /nfs/dbraw/zinc/74/86/97/553748697.db2.gz RYWBKIOCJMLTKQ-DSITVLBTSA-N 0 0 523.541 4.121 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000096298819 553748694 /nfs/dbraw/zinc/74/86/94/553748694.db2.gz LKDDVTHACFNPGB-HKBOAZHASA-N 0 0 502.320 4.144 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000096298820 553748814 /nfs/dbraw/zinc/74/88/14/553748814.db2.gz LKDDVTHACFNPGB-QHAWAJNXSA-N 0 0 502.320 4.144 40 10 KICBRN Cc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000097944192 553768732 /nfs/dbraw/zinc/76/87/32/553768732.db2.gz RKMGYIRQIVYSRR-VJBWXMMDSA-N 0 0 577.374 4.290 40 10 KICBRN Cc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(I)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000097944194 553769025 /nfs/dbraw/zinc/76/90/25/553769025.db2.gz RKMGYIRQIVYSRR-XPWALMASSA-N 0 0 577.374 4.290 40 10 KICBRN COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O ZINC000097949493 553802025 /nfs/dbraw/zinc/80/20/25/553802025.db2.gz SYMMNTVNUXJENJ-BHIFYINESA-N 0 0 532.346 4.153 40 10 KICBRN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccncc5)SC4=NC3=O)cc2OC)c1 ZINC000097964290 553896913 /nfs/dbraw/zinc/89/69/13/553896913.db2.gz XAHRBQGCNLDPCQ-WTPQPOPRSA-N 0 0 529.578 4.224 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccncc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000097964291 553896898 /nfs/dbraw/zinc/89/68/98/553896898.db2.gz HLMVVSVPNVLRDU-ICALIKLASA-N 0 0 547.618 4.224 40 10 KICBRN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000097964311 553897224 /nfs/dbraw/zinc/89/72/24/553897224.db2.gz HMAGAMRBRWILJE-JZBIWTJYSA-N 0 0 547.515 4.293 40 10 KICBRN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccccc1 ZINC000097964319 553897206 /nfs/dbraw/zinc/89/72/06/553897206.db2.gz NKEMHDKENZSSQC-OZGJTJQNSA-N 0 0 534.516 4.351 40 10 KICBRN Cc1nn2c(nc(COc3ccc(/C=C4/C(=N)N5N=C(C6CCCCC6)SC5=NC4=O)cc3)cc2=O)s1 ZINC000097964333 553897213 /nfs/dbraw/zinc/89/72/13/553897213.db2.gz UDZQWZQFJSFUPC-CCOMCPQUSA-N 0 0 533.639 4.238 40 10 KICBRN CCc1nn2c(nc(COc3ccc(/C=C4/C(=N)N5N=C(C6CCCCC6)SC5=NC4=O)cc3)cc2=O)s1 ZINC000097964334 553897478 /nfs/dbraw/zinc/89/74/78/553897478.db2.gz CRYMXXMNCLFQEF-ILUGDOHVSA-N 0 0 547.666 4.492 40 10 KICBRN CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 ZINC000097964382 553897854 /nfs/dbraw/zinc/89/78/54/553897854.db2.gz AKVMMHXFLWESAQ-WLDZVJDWSA-N 0 0 526.640 4.063 40 10 KICBRN CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 ZINC000097964383 553897875 /nfs/dbraw/zinc/89/78/75/553897875.db2.gz HKKNEDYUCFEMDC-CLBQIIJWSA-N 0 0 526.640 4.279 40 10 KICBRN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 ZINC000097964384 553897782 /nfs/dbraw/zinc/89/77/82/553897782.db2.gz HKKNEDYUCFEMDC-JKSGLJIBSA-N 0 0 526.640 4.279 40 10 KICBRN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 ZINC000097964385 553897867 /nfs/dbraw/zinc/89/78/67/553897867.db2.gz LJNZTDJXQKBAKF-NKFJNAIASA-N 0 0 526.640 4.197 40 10 KICBRN Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 ZINC000097964411 553898069 /nfs/dbraw/zinc/89/80/69/553898069.db2.gz NIYHUMKYGBEALJ-LXEXHQCYSA-N 0 0 533.031 4.036 40 10 KICBRN Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1C ZINC000097964412 553898060 /nfs/dbraw/zinc/89/80/60/553898060.db2.gz HBJMMDPTYZPOGL-MPZQNCSBSA-N 0 0 533.031 4.036 40 10 KICBRN Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c(C)c1 ZINC000097964414 553898074 /nfs/dbraw/zinc/89/80/74/553898074.db2.gz RSKAGRVSUQNBEX-LXEXHQCYSA-N 0 0 533.031 4.036 40 10 KICBRN Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl ZINC000097964415 553898057 /nfs/dbraw/zinc/89/80/57/553898057.db2.gz SKNPDISAIXREBJ-LXEXHQCYSA-N 0 0 533.031 4.036 40 10 KICBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Cl)cc4)c(Cl)c3)C2=N)S1 ZINC000097964418 553898084 /nfs/dbraw/zinc/89/80/84/553898084.db2.gz TUCBXHGIOLRVIW-ISFIWZGBSA-N 0 0 539.422 4.072 40 10 KICBRN Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 ZINC000097964421 553898068 /nfs/dbraw/zinc/89/80/68/553898068.db2.gz KOVUTLUVFMJXLU-MPZQNCSBSA-N 0 0 533.031 4.036 40 10 KICBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)c(Cl)c3)C2=N)S1 ZINC000097964423 553898077 /nfs/dbraw/zinc/89/80/77/553898077.db2.gz SPVNCKWGPBUDAP-JALZURGUSA-N 0 0 539.422 4.072 40 10 KICBRN Cc1cc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)ccc1Cl ZINC000097964432 553898461 /nfs/dbraw/zinc/89/84/61/553898461.db2.gz WYIDZVIFRSWQEC-IVTJCWFQSA-N 0 0 533.031 4.118 40 10 KICBRN Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1 ZINC000097964453 553898463 /nfs/dbraw/zinc/89/84/63/553898463.db2.gz RQTGBQHHRIRNFQ-NWSLSDTJSA-N 0 0 533.031 4.118 40 10 KICBRN Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 ZINC000097964454 553898407 /nfs/dbraw/zinc/89/84/07/553898407.db2.gz GQWFNOGXNWODNI-NWSLSDTJSA-N 0 0 533.031 4.118 40 10 KICBRN 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CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000097964464 553898693 /nfs/dbraw/zinc/89/86/93/553898693.db2.gz DVRBWTPRUBBNBL-ONAIEWRJSA-N 0 0 533.031 4.247 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000097964465 553898683 /nfs/dbraw/zinc/89/86/83/553898683.db2.gz KRADXFWDILFXQH-ONAIEWRJSA-N 0 0 533.031 4.247 40 10 KICBRN CCOc1cc(/C=C2\C(=O)N=C3SC(S(C)(=O)=O)=NN3C2=N)ccc1OC(=O)c1ccc(C(C)C)cc1 ZINC000097964492 553898918 /nfs/dbraw/zinc/89/89/18/553898918.db2.gz USIOLPCFJSKSFM-JZSRTLTASA-N 0 0 540.623 4.049 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1 ZINC000097964501 553898976 /nfs/dbraw/zinc/89/89/76/553898976.db2.gz ZPJKQMFMFRXVSO-LCQIMXFNSA-N 0 0 544.680 4.186 40 10 KICBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCSc4ccc(Cl)cc4)cc3)C2=N)S1 ZINC000097964502 553898965 /nfs/dbraw/zinc/89/89/65/553898965.db2.gz WDWPPMPLEZWNCD-YOUSBUAYSA-N 0 0 521.045 4.132 40 10 KICBRN COc1ccc(C(=O)Oc2c(Br)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1OC ZINC000097964605 553899225 /nfs/dbraw/zinc/89/92/25/553899225.db2.gz AMEXMDXTNIUJBS-OIKPAHRISA-N 0 0 542.342 4.144 40 10 KICBRN COc1ccccc1OCCOc1c(Br)cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC ZINC000097964608 553899210 /nfs/dbraw/zinc/89/92/10/553899210.db2.gz JXNJYIAYZSARNO-GMJPIVBGSA-N 0 0 528.359 4.374 40 10 KICBRN COc1ccc(OCCOc2c(Br)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 ZINC000097964612 553899253 /nfs/dbraw/zinc/89/92/53/553899253.db2.gz AZNCMOUDAXIENR-IKFXFJJLSA-N 0 0 528.359 4.374 40 10 KICBRN COc1cccc(OCCOc2c(Br)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 ZINC000097964616 553899194 /nfs/dbraw/zinc/89/91/94/553899194.db2.gz ACFILTAPCOAYBW-AKHKXASESA-N 0 0 528.359 4.374 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1Cl ZINC000097964699 553900144 /nfs/dbraw/zinc/90/01/44/553900144.db2.gz CJCZCQWCGFYVME-QAGNQREPSA-N 0 0 561.041 4.358 40 10 KICBRN 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CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000097964767 553900721 /nfs/dbraw/zinc/90/07/21/553900721.db2.gz RQSMKPAWTACBKA-LCQIMXFNSA-N 0 0 544.680 4.186 40 10 KICBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C2=N)S1 ZINC000097964777 553900714 /nfs/dbraw/zinc/90/07/14/553900714.db2.gz JIVNOIPHODNEKP-IVTJCWFQSA-N 0 0 533.031 4.118 40 10 KICBRN CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)cc2)c1 ZINC000097964778 553900697 /nfs/dbraw/zinc/90/06/97/553900697.db2.gz LXJDCHIJHBAPAW-HTWVIFJXSA-N 0 0 526.640 4.027 40 10 KICBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)c(Cl)c3)C2=N)S1 ZINC000097964779 553900712 /nfs/dbraw/zinc/90/07/12/553900712.db2.gz GAMAQEVMGJWSLT-HELPIZENSA-N 0 0 533.031 4.118 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000097964809 553900954 /nfs/dbraw/zinc/90/09/54/553900954.db2.gz PJCFPPDKHWAYJZ-DDSBZIKFSA-N 0 0 527.562 4.376 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000097964810 553900945 /nfs/dbraw/zinc/90/09/45/553900945.db2.gz PARVTHAMOSQODO-XCAKCUFHSA-N 0 0 527.562 4.376 40 10 KICBRN CC(C)CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=N)S1 ZINC000097964819 553900890 /nfs/dbraw/zinc/90/08/90/553900890.db2.gz IPNRPUSMVPUJFF-OSIMKLFKSA-N 0 0 521.418 4.357 40 10 KICBRN Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1 ZINC000097964820 553900981 /nfs/dbraw/zinc/90/09/81/553900981.db2.gz OOYNEQPBTMUTTA-TUKHXMGSSA-N 0 0 526.640 4.100 40 10 KICBRN Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1 ZINC000097964821 553901274 /nfs/dbraw/zinc/90/12/74/553901274.db2.gz AVDSNCPCFCCZOO-NKFJNAIASA-N 0 0 526.640 4.100 40 10 KICBRN Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)cc1 ZINC000097964824 553901243 /nfs/dbraw/zinc/90/12/43/553901243.db2.gz GETCRECGLXSUNX-TUKHXMGSSA-N 0 0 526.640 4.100 40 10 KICBRN COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1F ZINC000097964826 553901232 /nfs/dbraw/zinc/90/12/32/553901232.db2.gz DGJXJGOCBVTUKH-XKPYOKEHSA-N 0 0 530.603 4.061 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1 ZINC000097964831 553901278 /nfs/dbraw/zinc/90/12/78/553901278.db2.gz JYTACFKZFPCJLP-WTZVULCFSA-N 0 0 546.652 4.013 40 10 KICBRN COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 ZINC000097964883 553901271 /nfs/dbraw/zinc/90/12/71/553901271.db2.gz VLOJPBCAIBFLQO-JWRAQDAWSA-N 0 0 527.990 4.404 40 10 KICBRN COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)cc1 ZINC000097964886 553901248 /nfs/dbraw/zinc/90/12/48/553901248.db2.gz ZWDBXZFSWRPICG-KLUMOMIWSA-N 0 0 532.603 4.439 40 10 KICBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1 ZINC000097964972 553902258 /nfs/dbraw/zinc/90/22/58/553902258.db2.gz CDHJTUBHULIFPK-ZKZDLDBDSA-N 0 0 526.640 4.312 40 10 KICBRN CCc1nn2c(nc(COc3ccc(/C=C4/C(=N)N5N=C(C(CC)CC)SC5=NC4=O)cc3)cc2=O)s1 ZINC000097964985 553902187 /nfs/dbraw/zinc/90/21/87/553902187.db2.gz CRSRAANRQPBYLX-BTGMWCQSSA-N 0 0 535.655 4.348 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@@H]1c3c(cnc4ncnn43)C(=O)N(Cc3ccccc3)[C@@H]1[C@@H]2c1cccc(Cl)c1 ZINC000097965937 553906514 /nfs/dbraw/zinc/90/65/14/553906514.db2.gz OEGVVYYJFPDBND-SKBVVQJISA-N 0 0 561.985 4.475 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@@H]1c3c(cnc4ncnn43)C(=O)N(Cc3ccccc3)[C@H]1[C@@H]2c1cccc(Cl)c1 ZINC000097965938 553906517 /nfs/dbraw/zinc/90/65/17/553906517.db2.gz OEGVVYYJFPDBND-AYRHNUGRSA-N 0 0 561.985 4.475 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@@H]1c3c(cnc4ncnn43)C(=O)N(Cc3ccccc3)[C@@H]1[C@H]2c1cccc(Cl)c1 ZINC000097965939 553906500 /nfs/dbraw/zinc/90/65/00/553906500.db2.gz OEGVVYYJFPDBND-LGPLSSKUSA-N 0 0 561.985 4.475 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@@H]1c3c(cnc4ncnn43)C(=O)N(Cc3ccccc3)[C@H]1[C@H]2c1cccc(Cl)c1 ZINC000097965940 553906452 /nfs/dbraw/zinc/90/64/52/553906452.db2.gz OEGVVYYJFPDBND-DMTNHVFBSA-N 0 0 561.985 4.475 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000097966304 553908137 /nfs/dbraw/zinc/90/81/37/553908137.db2.gz MQEPJGKVQPNGLB-QHZSLAKNSA-N 0 0 644.588 4.433 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000097966305 553908162 /nfs/dbraw/zinc/90/81/62/553908162.db2.gz MQEPJGKVQPNGLB-GRXWAMFVSA-N 0 0 644.588 4.433 40 10 KICBRN O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000097981078 553991828 /nfs/dbraw/zinc/99/18/28/553991828.db2.gz BYRMONTUGSKGTD-IOGSKZBASA-N 0 0 545.564 4.229 40 10 KICBRN CC(C)C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000098005171 554057425 /nfs/dbraw/zinc/05/74/25/554057425.db2.gz XRGPWTFBQSRQLZ-KEXUJGGDSA-N 0 0 566.246 4.237 40 10 KICBRN CC(C)C[C@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000098005172 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CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000100415001 554380558 /nfs/dbraw/zinc/38/05/58/554380558.db2.gz PBDLFARXVVBXFR-VJBWXMMDSA-N 0 0 559.372 4.103 40 10 KICBRN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000100415005 554380527 /nfs/dbraw/zinc/38/05/27/554380527.db2.gz PBDLFARXVVBXFR-XPWALMASSA-N 0 0 559.372 4.103 40 10 KICBRN COc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000100415114 554380540 /nfs/dbraw/zinc/38/05/40/554380540.db2.gz GNLLPJOVKLZKET-VJBWXMMDSA-N 0 0 501.922 4.039 40 10 KICBRN CCOc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000100415714 554382300 /nfs/dbraw/zinc/38/23/00/554382300.db2.gz SMCXJBKSVYHVDA-VJBWXMMDSA-N 0 0 501.922 4.434 40 10 KICBRN CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000100415719 554382265 /nfs/dbraw/zinc/38/22/65/554382265.db2.gz SMCXJBKSVYHVDA-XPWALMASSA-N 0 0 501.922 4.434 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000100416810 554384541 /nfs/dbraw/zinc/38/45/41/554384541.db2.gz ZASFDPRXZLMBFX-VJBWXMMDSA-N 0 0 574.383 4.321 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccccc3Br)C(=O)c3ccccc3C2=O)cc1 ZINC000100416819 554384527 /nfs/dbraw/zinc/38/45/27/554384527.db2.gz ZASFDPRXZLMBFX-XPWALMASSA-N 0 0 574.383 4.321 40 10 KICBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]32)cc1 ZINC000100497421 554404697 /nfs/dbraw/zinc/40/46/97/554404697.db2.gz OOANICOMFJQBMH-FDFHNCONSA-N 0 0 516.347 4.453 40 10 KICBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3I)C(=O)[C@@H]21 ZINC000100497452 554404649 /nfs/dbraw/zinc/40/46/49/554404649.db2.gz UIMQIIJFXZVUIJ-FDFHNCONSA-N 0 0 563.347 4.295 40 10 KICBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3I)C(=O)[C@H]21 ZINC000100497456 554404654 /nfs/dbraw/zinc/40/46/54/554404654.db2.gz UIMQIIJFXZVUIJ-BHIFYINESA-N 0 0 563.347 4.295 40 10 KICBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000100497462 554404618 /nfs/dbraw/zinc/40/46/18/554404618.db2.gz JIPHVOKKOBXSDY-FDFHNCONSA-N 0 0 516.347 4.453 40 10 KICBRN CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2C=Cc3ccccc3N2CC)c(=O)n1-c1ccccc1 ZINC000100501664 554406039 /nfs/dbraw/zinc/40/60/39/554406039.db2.gz UFJQQGSOIUMAPG-AQENTWCGSA-N 0 0 576.678 4.067 40 10 KICBRN CC(=O)C(C(C)=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000100511765 554408688 /nfs/dbraw/zinc/40/86/88/554408688.db2.gz CWKKKKGEKQZBJX-UHFFFAOYSA-N 0 0 514.625 4.167 40 10 KICBRN CC1(C)CC(=O)C(c2cc(NS(=O)(=O)c3ccccc3)ccc2NS(=O)(=O)c2ccccc2)C(=O)C1 ZINC000100556600 554416341 /nfs/dbraw/zinc/41/63/41/554416341.db2.gz ZYQGEHDINIISQU-UHFFFAOYSA-N 0 0 526.636 4.330 40 10 KICBRN COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1OC ZINC000100562392 554418671 /nfs/dbraw/zinc/41/86/71/554418671.db2.gz XELDITCAKQZYMP-RJGXRXQPSA-N 0 0 562.372 4.161 40 10 KICBRN COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1OC ZINC000100562394 554418740 /nfs/dbraw/zinc/41/87/40/554418740.db2.gz XELDITCAKQZYMP-VABKMULXSA-N 0 0 562.372 4.161 40 10 KICBRN COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1OC ZINC000100562396 554418711 /nfs/dbraw/zinc/41/87/11/554418711.db2.gz XELDITCAKQZYMP-XPWALMASSA-N 0 0 562.372 4.161 40 10 KICBRN COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1OC ZINC000100562397 554418680 /nfs/dbraw/zinc/41/86/80/554418680.db2.gz XELDITCAKQZYMP-VJBWXMMDSA-N 0 0 562.372 4.161 40 10 KICBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100629815 554435234 /nfs/dbraw/zinc/43/52/34/554435234.db2.gz YOCGZBRKIBHLGJ-RCCKNPSSSA-N 0 0 503.422 4.342 40 10 KICBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]21 ZINC000100676783 554444013 /nfs/dbraw/zinc/44/40/13/554444013.db2.gz FAFWLOVVHCVDRI-BHIFYINESA-N 0 0 516.347 4.453 40 10 KICBRN CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1 ZINC000100764664 554469873 /nfs/dbraw/zinc/46/98/73/554469873.db2.gz RFWAFXINYQOYHJ-RJGXRXQPSA-N 0 0 529.932 4.212 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000100870546 554498163 /nfs/dbraw/zinc/49/81/63/554498163.db2.gz LKINQJURZGRHJE-FOOJEKODSA-N 0 0 554.510 4.407 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000100870547 554498142 /nfs/dbraw/zinc/49/81/42/554498142.db2.gz LKINQJURZGRHJE-FVIVVMBBSA-N 0 0 554.510 4.407 40 10 KICBRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000100885071 554508337 /nfs/dbraw/zinc/50/83/37/554508337.db2.gz RYPUVJTXNMPBRA-VABKMULXSA-N 0 0 505.596 4.269 40 10 KICBRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)C1=O ZINC000100885074 554508423 /nfs/dbraw/zinc/50/84/23/554508423.db2.gz RYPUVJTXNMPBRA-ZLNRFVROSA-N 0 0 505.596 4.269 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100941619 554532751 /nfs/dbraw/zinc/53/27/51/554532751.db2.gz PYBFTGQGPRGPBA-UQDCTOEPSA-N 0 0 602.669 4.131 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100941621 554532797 /nfs/dbraw/zinc/53/27/97/554532797.db2.gz PYBFTGQGPRGPBA-LCQSEVKBSA-N 0 0 602.669 4.131 40 10 KICBRN CN(C)c1ccc(/C=C2\N=C(c3ccc(NC(=O)c4cncc(Br)c4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000100948007 554536469 /nfs/dbraw/zinc/53/64/69/554536469.db2.gz GKAGXTJDKNRHSA-OCKHKDLRSA-N 0 0 536.342 4.415 40 10 KICBRN CN(C)c1ccc(/C=C2/N=C(c3ccc(NC(=O)c4cncc(Br)c4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000100948008 554536489 /nfs/dbraw/zinc/53/64/89/554536489.db2.gz GKAGXTJDKNRHSA-DJKKODMXSA-N 0 0 536.342 4.415 40 10 KICBRN CN(C)c1ccc(CN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000100969191 554543374 /nfs/dbraw/zinc/54/33/74/554543374.db2.gz LRBPZRCDXHAQEK-OAQYLSRUSA-N 0 0 531.103 4.318 40 10 KICBRN CN(C)c1ccc(CN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000100969194 554543351 /nfs/dbraw/zinc/54/33/51/554543351.db2.gz LRBPZRCDXHAQEK-NRFANRHFSA-N 0 0 531.103 4.318 40 10 KICBRN COc1ccc(/C=C2/SCN(CCC(=O)N3CCN(C4=NC(=O)/C(=C\c5ccc(C)cc5)S4)CC3)C2=O)cc1 ZINC000101001722 554552564 /nfs/dbraw/zinc/55/25/64/554552564.db2.gz ZMXBLAUPMCSIGU-WZGDJCGDSA-N 0 0 562.717 4.082 40 10 KICBRN Cc1c(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000101002168 554552612 /nfs/dbraw/zinc/55/26/12/554552612.db2.gz ZWJQHDLBQWRWAA-RGEXLXHISA-N 0 0 557.495 4.477 40 10 KICBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cccc(F)c3)C2=O)SC1=S)Nc1cccc(F)c1 ZINC000101002394 554552946 /nfs/dbraw/zinc/55/29/46/554552946.db2.gz ZOKALHBXCPNJPC-FMQUCBEESA-N 0 0 592.696 4.254 40 10 KICBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)SC1=S)Nc1ccc(F)cc1 ZINC000101002398 554552907 /nfs/dbraw/zinc/55/29/07/554552907.db2.gz HKRMZNFLVUFMSL-FMQUCBEESA-N 0 0 592.696 4.254 40 10 KICBRN CN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N(C)Cc3ccccc3)C2=O)SC1=S ZINC000101002440 554552900 /nfs/dbraw/zinc/55/29/00/554552900.db2.gz SFGZYOXPHYWTLQ-WCWDXBQESA-N 0 0 612.824 4.016 40 10 KICBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCCCCC3)C2=O)SC1=S)N1CCCCCC1 ZINC000101002465 554552952 /nfs/dbraw/zinc/55/29/52/554552952.db2.gz GVQYQHGLHUBYMJ-QURGRASLSA-N 0 0 596.866 4.284 40 10 KICBRN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NC3CCCCC3)C2=O)SC1=S)NC1CCCCC1 ZINC000101002475 554552955 /nfs/dbraw/zinc/55/29/55/554552955.db2.gz IBEKPALFFDIKHM-QURGRASLSA-N 0 0 596.866 4.377 40 10 KICBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCCC3)C2=O)SC1=S)N1CCCC1 ZINC000101002492 554553084 /nfs/dbraw/zinc/55/30/84/554553084.db2.gz ZDHPPVXWALPPSW-QURGRASLSA-N 0 0 596.866 4.284 40 10 KICBRN COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C4=NC(=O)/C(=C\c5ccccc5)S4)CC3)C2=O)cc1 ZINC000101002843 554553365 /nfs/dbraw/zinc/55/33/65/554553365.db2.gz LTLOVDIMWNQLMO-SKWBHROBSA-N 0 0 578.741 4.101 40 10 KICBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(I)c3)C2=O)cc1OC ZINC000101005359 554553761 /nfs/dbraw/zinc/55/37/61/554553761.db2.gz IQJGOOHWASBXID-MFOYZWKCSA-N 0 0 540.404 4.148 40 10 KICBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OC ZINC000101005362 554553741 /nfs/dbraw/zinc/55/37/41/554553741.db2.gz BCTQXDBJBDLEDN-YVLHZVERSA-N 0 0 540.404 4.148 40 10 KICBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000101005669 554553717 /nfs/dbraw/zinc/55/37/17/554553717.db2.gz OCFXYBRJQJFJHC-JWGURIENSA-N 0 0 552.678 4.122 40 10 KICBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC ZINC000101005692 554554002 /nfs/dbraw/zinc/55/40/02/554554002.db2.gz WBYAPUHUZDAUBC-UYRXBGFRSA-N 0 0 545.708 4.363 40 10 KICBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 ZINC000101005989 554553999 /nfs/dbraw/zinc/55/39/99/554553999.db2.gz DWVIQUHFOMKQLQ-AQTBWJFISA-N 0 0 543.692 4.133 40 10 KICBRN NC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)sc2c1CCCC2 ZINC000101006192 554554164 /nfs/dbraw/zinc/55/41/64/554554164.db2.gz OZBRSXSZKLSKEU-WQRHYEAKSA-N 0 0 529.665 4.075 40 10 KICBRN COc1ccc(CCN2C(=O)/C(=C3\SC(=S)N(CCc4ccc(OC)cc4)C3=O)SC2=S)cc1 ZINC000101016883 554560405 /nfs/dbraw/zinc/56/04/05/554560405.db2.gz UULYYJBREGQGPW-FMQUCBEESA-N 0 0 530.718 4.421 40 10 KICBRN COc1ccc(CCN2C(=O)/C(=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)SC2=S)cc1OC ZINC000101016885 554560432 /nfs/dbraw/zinc/56/04/32/554560432.db2.gz DSDVHHTZEGUKMV-QURGRASLSA-N 0 0 590.770 4.438 40 10 KICBRN COc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(OC)cc4OC)C3=O)SC2=S)c(OC)c1 ZINC000101016909 554560584 /nfs/dbraw/zinc/56/05/84/554560584.db2.gz IEWASTVXMOSIMN-ISLYRVAYSA-N 0 0 534.662 4.362 40 10 KICBRN CC(=O)Nc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)SC2=S)cc1 ZINC000101016933 554560652 /nfs/dbraw/zinc/56/06/52/554560652.db2.gz NYRNVGAQFFSFSK-ISLYRVAYSA-N 0 0 528.662 4.245 40 10 KICBRN O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000101025094 554563448 /nfs/dbraw/zinc/56/34/48/554563448.db2.gz BYRMONTUGSKGTD-MZIFNNTCSA-N 0 0 545.564 4.229 40 10 KICBRN O=C1CSC(=S)N1N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000101088181 554581188 /nfs/dbraw/zinc/58/11/88/554581188.db2.gz UVAYAJRBPQJMKV-UHFFFAOYSA-N 0 0 593.898 4.108 40 10 KICBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)C3=O)o2)cc1 ZINC000101090462 554581935 /nfs/dbraw/zinc/58/19/35/554581935.db2.gz URXDXQHCIBMSRP-YBFXNURJSA-N 0 0 535.515 4.054 40 10 KICBRN CN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2)SC1=S ZINC000101093714 554583577 /nfs/dbraw/zinc/58/35/77/554583577.db2.gz IXSZSTAOUVAIFT-UDWIEESQSA-N 0 0 566.583 4.172 40 10 KICBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]23)cc1 ZINC000101099781 554586348 /nfs/dbraw/zinc/58/63/48/554586348.db2.gz OOANICOMFJQBMH-BHDDXSALSA-N 0 0 516.347 4.453 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(CC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000101099827 554586636 /nfs/dbraw/zinc/58/66/36/554586636.db2.gz RYWBKIOCJMLTKQ-UBFVSLLYSA-N 0 0 523.541 4.121 40 10 KICBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101099847 554586651 /nfs/dbraw/zinc/58/66/51/554586651.db2.gz JIPHVOKKOBXSDY-YPAWHYETSA-N 0 0 516.347 4.453 40 10 KICBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000101099849 554586655 /nfs/dbraw/zinc/58/66/55/554586655.db2.gz JIPHVOKKOBXSDY-BHDDXSALSA-N 0 0 516.347 4.453 40 10 KICBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000101099860 554586643 /nfs/dbraw/zinc/58/66/43/554586643.db2.gz 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554644564 /nfs/dbraw/zinc/64/45/64/554644564.db2.gz HZYSCVWIZYZWCD-QHAWAJNXSA-N 0 0 520.310 4.283 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(F)c1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101124136 554644556 /nfs/dbraw/zinc/64/45/56/554644556.db2.gz HZYSCVWIZYZWCD-NJDAHSKKSA-N 0 0 520.310 4.283 40 10 KICBRN COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1 ZINC000101130209 554649322 /nfs/dbraw/zinc/64/93/22/554649322.db2.gz DXGIDUPULYCHNC-BHDDXSALSA-N 0 0 532.346 4.153 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000101130356 554649339 /nfs/dbraw/zinc/64/93/39/554649339.db2.gz OICVASDHEJUTFN-QHAWAJNXSA-N 0 0 520.310 4.283 40 10 KICBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000101130360 554649272 /nfs/dbraw/zinc/64/92/72/554649272.db2.gz OICVASDHEJUTFN-NJDAHSKKSA-N 0 0 520.310 4.283 40 10 KICBRN 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000101620870 554809362 /nfs/dbraw/zinc/80/93/62/554809362.db2.gz LHSFACLXDMIUHY-XQNWCSQWSA-N 0 0 585.682 4.001 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000101620874 554809317 /nfs/dbraw/zinc/80/93/17/554809317.db2.gz LHSFACLXDMIUHY-RGFRMHDHSA-N 0 0 585.682 4.001 40 10 KICBRN COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c(OC)c1 ZINC000101654870 554818987 /nfs/dbraw/zinc/81/89/87/554818987.db2.gz ZRWHLENYRZNAOF-DNVJHFABSA-N 0 0 517.921 4.052 40 10 KICBRN CCOc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1 ZINC000101850069 554843249 /nfs/dbraw/zinc/84/32/49/554843249.db2.gz FKKUCVYRYMGKQI-YTFSRNRJSA-N 0 0 501.922 4.434 40 10 KICBRN COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O ZINC000102409704 554923042 /nfs/dbraw/zinc/92/30/42/554923042.db2.gz 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ZINC000102781214 555065965 /nfs/dbraw/zinc/06/59/65/555065965.db2.gz IIVZPOSHWDJSRJ-MMGVRFDJSA-N 0 0 509.562 4.007 40 10 KICBRN Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)[NH2+][C@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@H]3C2=O)c1 ZINC000102781216 555065962 /nfs/dbraw/zinc/06/59/62/555065962.db2.gz IIVZPOSHWDJSRJ-JALVRWGXSA-N 0 0 509.562 4.007 40 10 KICBRN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)[NH2+][C@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@H]3C2=O)c1 ZINC000102781218 555066032 /nfs/dbraw/zinc/06/60/32/555066032.db2.gz IIVZPOSHWDJSRJ-HNRABGRISA-N 0 0 509.562 4.007 40 10 KICBRN O=C([O-])[C@@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000102782392 555066633 /nfs/dbraw/zinc/06/66/33/555066633.db2.gz YHCPPBZNPZUVIH-PVIBPIFHSA-N 0 0 560.404 4.152 40 10 KICBRN O=C([O-])[C@@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000102782395 555066612 /nfs/dbraw/zinc/06/66/12/555066612.db2.gz YHCPPBZNPZUVIH-UKWMHNODSA-N 0 0 560.404 4.152 40 10 KICBRN O=C([O-])[C@@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000102782397 555066638 /nfs/dbraw/zinc/06/66/38/555066638.db2.gz YHCPPBZNPZUVIH-MUCKBHKGSA-N 0 0 560.404 4.152 40 10 KICBRN O=C([O-])[C@@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000102782400 555066642 /nfs/dbraw/zinc/06/66/42/555066642.db2.gz YHCPPBZNPZUVIH-KVOKEACQSA-N 0 0 560.404 4.152 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000102869492 555098796 /nfs/dbraw/zinc/09/87/96/555098796.db2.gz NMECJMQVTFBPMX-VJBWXMMDSA-N 0 0 574.383 4.321 40 10 KICBRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000102869494 555098831 /nfs/dbraw/zinc/09/88/31/555098831.db2.gz NMECJMQVTFBPMX-XPWALMASSA-N 0 0 574.383 4.321 40 10 KICBRN COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2cccs2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000102898921 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COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c(OC)c1 ZINC000103592012 555452445 /nfs/dbraw/zinc/45/24/45/555452445.db2.gz LDVSYDULIXCAJL-CCDSKFFISA-N 0 0 534.642 4.133 40 10 KICBRN COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1 ZINC000103593261 555452746 /nfs/dbraw/zinc/45/27/46/555452746.db2.gz IVLRYVYOTRAQCA-CCDSKFFISA-N 0 0 534.642 4.133 40 10 KICBRN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1 ZINC000103593279 555452713 /nfs/dbraw/zinc/45/27/13/555452713.db2.gz QMNGQNVCVDVYGW-PAMLCIOASA-N 0 0 504.616 4.125 40 10 KICBRN COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C ZINC000103593290 555452922 /nfs/dbraw/zinc/45/29/22/555452922.db2.gz GYQMWRASBQJKAM-YXHWSSDLSA-N 0 0 504.616 4.125 40 10 KICBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000103593295 555453056 /nfs/dbraw/zinc/45/30/56/555453056.db2.gz XGSRNNBXJFHGQL-JHKOBTARSA-N 0 0 518.643 4.086 40 10 KICBRN COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C ZINC000103593332 555452988 /nfs/dbraw/zinc/45/29/88/555452988.db2.gz KCQHHNNDKVBHGP-ZVPJYGFCSA-N 0 0 518.643 4.433 40 10 KICBRN COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1 ZINC000103593359 555453000 /nfs/dbraw/zinc/45/30/00/555453000.db2.gz WZXQIGRRYISNAI-DTNFBPRUSA-N 0 0 504.616 4.125 40 10 KICBRN CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)c1 ZINC000103593391 555453034 /nfs/dbraw/zinc/45/30/34/555453034.db2.gz UPVMOPVAJAMHQP-NVOZUQLISA-N 0 0 519.583 4.145 40 10 KICBRN Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000103596334 555453288 /nfs/dbraw/zinc/45/32/88/555453288.db2.gz DSGOZPWEPUALAY-ODUHAEHHSA-N 0 0 526.622 4.115 40 10 KICBRN CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1 ZINC000103596368 555453264 /nfs/dbraw/zinc/45/32/64/555453264.db2.gz OZFZFOVRZJHEEP-PQLYDUPZSA-N 0 0 532.670 4.476 40 10 KICBRN 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544.073 4.469 40 10 KICBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1Br ZINC000113625644 571441372 /nfs/dbraw/zinc/44/13/72/571441372.db2.gz WQANDZXRZAZUPE-UHFFFAOYSA-N 0 0 588.524 4.114 40 10 KICBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000113625810 571441359 /nfs/dbraw/zinc/44/13/59/571441359.db2.gz AFHCZKDLNQMEJJ-UHFFFAOYSA-N 0 0 544.073 4.087 40 10 KICBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113625814 571441545 /nfs/dbraw/zinc/44/15/45/571441545.db2.gz BKPCFLZMNIMEJE-UHFFFAOYSA-N 0 0 544.073 4.087 40 10 KICBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000113633020 571441944 /nfs/dbraw/zinc/44/19/44/571441944.db2.gz JJKURIJQRYJHLA-UHFFFAOYSA-N 0 0 552.653 4.414 40 10 KICBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(C)(=O)=O ZINC000113963802 571443168 /nfs/dbraw/zinc/44/31/68/571443168.db2.gz NVPLWJCKUHNPFL-UHFFFAOYSA-N 0 0 507.656 4.036 40 10 KICBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000113965793 571443257 /nfs/dbraw/zinc/44/32/57/571443257.db2.gz HJZDINDPMSMOLD-UHFFFAOYSA-N 0 0 507.656 4.036 40 10 KICBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000140053416 571454662 /nfs/dbraw/zinc/45/46/62/571454662.db2.gz RYRVGJNRSPPSIV-UHFFFAOYSA-N 0 0 534.520 4.298 40 10 KICBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000140370876 571455753 /nfs/dbraw/zinc/45/57/53/571455753.db2.gz KKYFZYNVCNYOLG-UHFFFAOYSA-N 0 0 534.520 4.298 40 10 KICBRN CC(C)C[NH+](Cc1c([O-])c(C[NH+](CC(C)C)CC(C)C)c2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c1[O-])CC(C)C ZINC000150344931 571459659 /nfs/dbraw/zinc/45/96/59/571459659.db2.gz ZIRVAXSEFMJJME-BVBIKTOJSA-N 0 0 714.897 4.278 40 10 KICBRN CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4nnc(CC(C)C)s4)C3=O)SC2=S)s1 ZINC000150380892 571466902 /nfs/dbraw/zinc/46/69/02/571466902.db2.gz FEUWYESSVHDCNQ-ISLYRVAYSA-N 0 0 684.942 4.076 40 10 KICBRN CN(C)c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN([C@H](c3nnnn3Cc3ccccc3)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000150386009 571469169 /nfs/dbraw/zinc/46/91/69/571469169.db2.gz PUWZWDFXZBNEFC-ZPGRZCPFSA-N 0 0 668.854 4.385 40 10 KICBRN CN(C)c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN([C@H](c3nnnn3Cc3ccccc3)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000150386010 571469130 /nfs/dbraw/zinc/46/91/30/571469130.db2.gz PUWZWDFXZBNEFC-TYHGNQNSSA-N 0 0 668.854 4.385 40 10 KICBRN CN(C)c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000150386012 571469179 /nfs/dbraw/zinc/46/91/79/571469179.db2.gz PUWZWDFXZBNEFC-LQFQNGICSA-N 0 0 668.854 4.385 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000150389329 571471775 /nfs/dbraw/zinc/47/17/75/571471775.db2.gz FARGUFZFRYLFSU-GSTVVXAASA-N 0 0 642.778 4.060 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000150389330 571471762 /nfs/dbraw/zinc/47/17/62/571471762.db2.gz FARGUFZFRYLFSU-SAGCDJCOSA-N 0 0 642.778 4.060 40 10 KICBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150398430 571477289 /nfs/dbraw/zinc/47/72/89/571477289.db2.gz HCVARBMPIHITMG-GWXSLXSZSA-N 0 0 632.536 4.493 40 10 KICBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150398431 571477237 /nfs/dbraw/zinc/47/72/37/571477237.db2.gz HCVARBMPIHITMG-FOOGSPQISA-N 0 0 632.536 4.493 40 10 KICBRN O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)SC1=S)c1ccccc1Br ZINC000150401057 571478115 /nfs/dbraw/zinc/47/81/15/571478115.db2.gz SDOFWSZVGXJQIR-BUHFOSPRSA-N 0 0 658.400 4.134 40 10 KICBRN O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)SC1=S)c1ccc(Br)cc1 ZINC000150401089 571478162 /nfs/dbraw/zinc/47/81/62/571478162.db2.gz ZLUCKDPRGRAGOB-BUHFOSPRSA-N 0 0 658.400 4.134 40 10 KICBRN 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/nfs/dbraw/zinc/60/39/43/571603943.db2.gz WALFGCBSDQHRGO-UQDCTOEPSA-N 0 0 557.672 4.223 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000220813604 571604049 /nfs/dbraw/zinc/60/40/49/571604049.db2.gz WALFGCBSDQHRGO-LCQSEVKBSA-N 0 0 557.672 4.223 40 10 KICBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222669771 571382059 /nfs/dbraw/zinc/38/20/59/571382059.db2.gz QICGCHREBXBWSJ-JOCHJYFZSA-N 0 0 513.704 4.355 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C)ccc3O2)cc1 ZINC000222738769 571391791 /nfs/dbraw/zinc/39/17/91/571391791.db2.gz IZBSHNIVVDIGMI-MHZLTWQESA-N 0 0 507.656 4.422 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C)ccc3O2)cc1 ZINC000222738830 571391777 /nfs/dbraw/zinc/39/17/77/571391777.db2.gz IZBSHNIVVDIGMI-HHHXNRCGSA-N 0 0 507.656 4.422 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc3O2)cc1 ZINC000222746840 571392623 /nfs/dbraw/zinc/39/26/23/571392623.db2.gz GDVKVTNSCYDXCS-SANMLTNESA-N 0 0 544.073 4.468 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc3O2)cc1 ZINC000222746900 571392607 /nfs/dbraw/zinc/39/26/07/571392607.db2.gz GDVKVTNSCYDXCS-AREMUKBSSA-N 0 0 544.073 4.468 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000222776815 571396116 /nfs/dbraw/zinc/39/61/16/571396116.db2.gz ISZHUOYBFIZJPH-UHFFFAOYSA-N 0 0 511.644 4.062 40 10 KICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000223039926 571424827 /nfs/dbraw/zinc/42/48/27/571424827.db2.gz UTFAXUVUKLEXMJ-SVBPBHIXSA-N 0 0 505.688 4.335 40 10 KICBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000223039979 571424772 /nfs/dbraw/zinc/42/47/72/571424772.db2.gz UTFAXUVUKLEXMJ-SXOMAYOGSA-N 0 0 505.688 4.335 40 10 KICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000223040040 571424810 /nfs/dbraw/zinc/42/48/10/571424810.db2.gz UTFAXUVUKLEXMJ-RRPNLBNLSA-N 0 0 505.688 4.335 40 10 KICBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000223040104 571424830 /nfs/dbraw/zinc/42/48/30/571424830.db2.gz UTFAXUVUKLEXMJ-KAYWLYCHSA-N 0 0 505.688 4.335 40 10 KICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223133173 571434680 /nfs/dbraw/zinc/43/46/80/571434680.db2.gz USQNLASGNNASKB-JWQCQUIFSA-N 0 0 512.079 4.153 40 10 KICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223133234 571434702 /nfs/dbraw/zinc/43/47/02/571434702.db2.gz USQNLASGNNASKB-RPBOFIJWSA-N 0 0 512.079 4.153 40 10 KICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223133300 571434758 /nfs/dbraw/zinc/43/47/58/571434758.db2.gz USQNLASGNNASKB-LOSJGSFVSA-N 0 0 512.079 4.153 40 10 KICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223133363 571434787 /nfs/dbraw/zinc/43/47/87/571434787.db2.gz USQNLASGNNASKB-DQEYMECFSA-N 0 0 512.079 4.153 40 10 KICBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223147829 571436450 /nfs/dbraw/zinc/43/64/50/571436450.db2.gz BOJPAPYWEOXHIT-CLJLJLNGSA-N 0 0 526.106 4.456 40 10 KICBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223147875 571436478 /nfs/dbraw/zinc/43/64/78/571436478.db2.gz BOJPAPYWEOXHIT-FTJBHMTQSA-N 0 0 526.106 4.456 40 10 KICBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223147935 571436447 /nfs/dbraw/zinc/43/64/47/571436447.db2.gz BOJPAPYWEOXHIT-IZZNHLLZSA-N 0 0 526.106 4.456 40 10 KICBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223147991 571436516 /nfs/dbraw/zinc/43/65/16/571436516.db2.gz BOJPAPYWEOXHIT-UIOOFZCWSA-N 0 0 526.106 4.456 40 10 KICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223170141 571440146 /nfs/dbraw/zinc/44/01/46/571440146.db2.gz UEYCUFYTZNXRJU-LOYHVIPDSA-N 0 0 560.768 4.021 40 10 KICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223170200 571440121 /nfs/dbraw/zinc/44/01/21/571440121.db2.gz UEYCUFYTZNXRJU-IHLOFXLRSA-N 0 0 560.768 4.021 40 10 KICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223170254 571440117 /nfs/dbraw/zinc/44/01/17/571440117.db2.gz UEYCUFYTZNXRJU-XZWHSSHBSA-N 0 0 560.768 4.021 40 10 KICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223170314 571440182 /nfs/dbraw/zinc/44/01/82/571440182.db2.gz UEYCUFYTZNXRJU-KYJUHHDHSA-N 0 0 560.768 4.021 40 10 KICBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 ZINC000223185940 571442320 /nfs/dbraw/zinc/44/23/20/571442320.db2.gz GRACKDLTKRWRRE-KAYWLYCHSA-N 0 0 505.688 4.193 40 10 KICBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 ZINC000223186000 571442284 /nfs/dbraw/zinc/44/22/84/571442284.db2.gz GRACKDLTKRWRRE-SXOMAYOGSA-N 0 0 505.688 4.193 40 10 KICBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 ZINC000223186057 571442326 /nfs/dbraw/zinc/44/23/26/571442326.db2.gz GRACKDLTKRWRRE-RRPNLBNLSA-N 0 0 505.688 4.193 40 10 KICBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 ZINC000223186124 571442249 /nfs/dbraw/zinc/44/22/49/571442249.db2.gz GRACKDLTKRWRRE-SVBPBHIXSA-N 0 0 505.688 4.193 40 10 KICBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223186208 571442316 /nfs/dbraw/zinc/44/23/16/571442316.db2.gz NJWHQJHFLQLBES-KAYWLYCHSA-N 0 0 505.688 4.193 40 10 KICBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223186269 571442236 /nfs/dbraw/zinc/44/22/36/571442236.db2.gz NJWHQJHFLQLBES-SXOMAYOGSA-N 0 0 505.688 4.193 40 10 KICBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223186337 571442265 /nfs/dbraw/zinc/44/22/65/571442265.db2.gz NJWHQJHFLQLBES-RRPNLBNLSA-N 0 0 505.688 4.193 40 10 KICBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223186403 571442419 /nfs/dbraw/zinc/44/24/19/571442419.db2.gz NJWHQJHFLQLBES-SVBPBHIXSA-N 0 0 505.688 4.193 40 10 KICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223187187 571442544 /nfs/dbraw/zinc/44/25/44/571442544.db2.gz LVHWBGNUPIFLEB-VSGBNLITSA-N 0 0 518.731 4.250 40 10 KICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223187246 571442500 /nfs/dbraw/zinc/44/25/00/571442500.db2.gz LVHWBGNUPIFLEB-IZLXSDGUSA-N 0 0 518.731 4.250 40 10 KICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223187298 571442464 /nfs/dbraw/zinc/44/24/64/571442464.db2.gz LVHWBGNUPIFLEB-WUFINQPMSA-N 0 0 518.731 4.250 40 10 KICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223187351 571442468 /nfs/dbraw/zinc/44/24/68/571442468.db2.gz LVHWBGNUPIFLEB-NSOVKSMOSA-N 0 0 518.731 4.250 40 10 KICBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223189957 571442982 /nfs/dbraw/zinc/44/29/82/571442982.db2.gz OSJWVBJBHQYRRV-KAYWLYCHSA-N 0 0 550.685 4.101 40 10 KICBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223190008 571442942 /nfs/dbraw/zinc/44/29/42/571442942.db2.gz OSJWVBJBHQYRRV-SXOMAYOGSA-N 0 0 550.685 4.101 40 10 KICBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223190061 571442953 /nfs/dbraw/zinc/44/29/53/571442953.db2.gz OSJWVBJBHQYRRV-RRPNLBNLSA-N 0 0 550.685 4.101 40 10 KICBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223190124 571443001 /nfs/dbraw/zinc/44/30/01/571443001.db2.gz OSJWVBJBHQYRRV-SVBPBHIXSA-N 0 0 550.685 4.101 40 10 KICBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c([N+](=O)[O-])c1 ZINC000223190204 571443015 /nfs/dbraw/zinc/44/30/15/571443015.db2.gz OKYCXMUZFFYJRM-KAYWLYCHSA-N 0 0 550.685 4.101 40 10 KICBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c([N+](=O)[O-])c1 ZINC000223190257 571442945 /nfs/dbraw/zinc/44/29/45/571442945.db2.gz OKYCXMUZFFYJRM-SXOMAYOGSA-N 0 0 550.685 4.101 40 10 KICBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c([N+](=O)[O-])c1 ZINC000223190319 571442928 /nfs/dbraw/zinc/44/29/28/571442928.db2.gz OKYCXMUZFFYJRM-RRPNLBNLSA-N 0 0 550.685 4.101 40 10 KICBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c([N+](=O)[O-])c1 ZINC000223190376 571442956 /nfs/dbraw/zinc/44/29/56/571442956.db2.gz OKYCXMUZFFYJRM-SVBPBHIXSA-N 0 0 550.685 4.101 40 10 KICBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191238 571443083 /nfs/dbraw/zinc/44/30/83/571443083.db2.gz VHIWCJXVWSGNTJ-KAYWLYCHSA-N 0 0 550.685 4.101 40 10 KICBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191300 571443189 /nfs/dbraw/zinc/44/31/89/571443189.db2.gz VHIWCJXVWSGNTJ-SXOMAYOGSA-N 0 0 550.685 4.101 40 10 KICBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191365 571443200 /nfs/dbraw/zinc/44/32/00/571443200.db2.gz VHIWCJXVWSGNTJ-RRPNLBNLSA-N 0 0 550.685 4.101 40 10 KICBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223191423 571443157 /nfs/dbraw/zinc/44/31/57/571443157.db2.gz VHIWCJXVWSGNTJ-SVBPBHIXSA-N 0 0 550.685 4.101 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223218181 571446614 /nfs/dbraw/zinc/44/66/14/571446614.db2.gz GKQRUYBZGHTHJK-UHFFFAOYSA-N 0 0 511.644 4.062 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223242693 571449447 /nfs/dbraw/zinc/44/94/47/571449447.db2.gz INCGZKZTGKDNRO-UHFFFAOYSA-N 0 0 540.642 4.270 40 10 KICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223296325 571456773 /nfs/dbraw/zinc/45/67/73/571456773.db2.gz NGOHGVRDTGWHLB-HNPKZYAISA-N 0 0 517.699 4.477 40 10 KICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223296386 571456738 /nfs/dbraw/zinc/45/67/38/571456738.db2.gz NGOHGVRDTGWHLB-VCTRFXNDSA-N 0 0 517.699 4.477 40 10 KICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223296430 571456802 /nfs/dbraw/zinc/45/68/02/571456802.db2.gz NGOHGVRDTGWHLB-SAAIGDAKSA-N 0 0 517.699 4.477 40 10 KICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223296486 571456861 /nfs/dbraw/zinc/45/68/61/571456861.db2.gz NGOHGVRDTGWHLB-WIRXVTQYSA-N 0 0 517.699 4.477 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1 ZINC000223316517 571459580 /nfs/dbraw/zinc/45/95/80/571459580.db2.gz LZGRPPKVCLVDMR-MHZLTWQESA-N 0 0 507.656 4.422 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1 ZINC000223316581 571459643 /nfs/dbraw/zinc/45/96/43/571459643.db2.gz LZGRPPKVCLVDMR-HHHXNRCGSA-N 0 0 507.656 4.422 40 10 KICBRN C[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000223350950 571464440 /nfs/dbraw/zinc/46/44/40/571464440.db2.gz DLNOHTHHBJESRA-OAQYLSRUSA-N 0 0 515.676 4.118 40 10 KICBRN C[C@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000223351006 571464429 /nfs/dbraw/zinc/46/44/29/571464429.db2.gz DLNOHTHHBJESRA-NRFANRHFSA-N 0 0 515.676 4.118 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223663364 571522818 /nfs/dbraw/zinc/52/28/18/571522818.db2.gz NZCMVVMAJVMEDS-UHFFFAOYSA-N 0 0 525.671 4.370 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000223712347 571531206 /nfs/dbraw/zinc/53/12/06/571531206.db2.gz AOUDBEKUTSZQGK-NSOVKSMOSA-N 0 0 533.698 4.251 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000223712395 571531225 /nfs/dbraw/zinc/53/12/25/571531225.db2.gz AOUDBEKUTSZQGK-IZLXSDGUSA-N 0 0 533.698 4.251 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000223712439 571531169 /nfs/dbraw/zinc/53/11/69/571531169.db2.gz AOUDBEKUTSZQGK-WUFINQPMSA-N 0 0 533.698 4.251 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000223712490 571531237 /nfs/dbraw/zinc/53/12/37/571531237.db2.gz AOUDBEKUTSZQGK-VSGBNLITSA-N 0 0 533.698 4.251 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000223727545 571533760 /nfs/dbraw/zinc/53/37/60/571533760.db2.gz KNWQXSQGCKAKCE-DQEYMECFSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000223727599 571533767 /nfs/dbraw/zinc/53/37/67/571533767.db2.gz KNWQXSQGCKAKCE-RPBOFIJWSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000223727632 571533692 /nfs/dbraw/zinc/53/36/92/571533692.db2.gz KNWQXSQGCKAKCE-LOSJGSFVSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000223727687 571533743 /nfs/dbraw/zinc/53/37/43/571533743.db2.gz KNWQXSQGCKAKCE-JWQCQUIFSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000223727746 571533895 /nfs/dbraw/zinc/53/38/95/571533895.db2.gz XABWLWUAEUUWMU-DQEYMECFSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000223727806 571533898 /nfs/dbraw/zinc/53/38/98/571533898.db2.gz XABWLWUAEUUWMU-RPBOFIJWSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000223727839 571533891 /nfs/dbraw/zinc/53/38/91/571533891.db2.gz XABWLWUAEUUWMU-LOSJGSFVSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000223727896 571533863 /nfs/dbraw/zinc/53/38/63/571533863.db2.gz XABWLWUAEUUWMU-JWQCQUIFSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000223728465 571534049 /nfs/dbraw/zinc/53/40/49/571534049.db2.gz RUHIOJWBAWEPHE-DQEYMECFSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000223728510 571533992 /nfs/dbraw/zinc/53/39/92/571533992.db2.gz RUHIOJWBAWEPHE-RPBOFIJWSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000223728547 571534018 /nfs/dbraw/zinc/53/40/18/571534018.db2.gz RUHIOJWBAWEPHE-LOSJGSFVSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000223728593 571533971 /nfs/dbraw/zinc/53/39/71/571533971.db2.gz RUHIOJWBAWEPHE-JWQCQUIFSA-N 0 0 523.615 4.332 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000223742806 571536645 /nfs/dbraw/zinc/53/66/45/571536645.db2.gz CKMQRGINRBBHLF-DQEYMECFSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000223742863 571536619 /nfs/dbraw/zinc/53/66/19/571536619.db2.gz CKMQRGINRBBHLF-RPBOFIJWSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000223742929 571536627 /nfs/dbraw/zinc/53/66/27/571536627.db2.gz CKMQRGINRBBHLF-LOSJGSFVSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000223742976 571536718 /nfs/dbraw/zinc/53/67/18/571536718.db2.gz CKMQRGINRBBHLF-JWQCQUIFSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000223743053 571536727 /nfs/dbraw/zinc/53/67/27/571536727.db2.gz OPAJZOLOEKLOIJ-DQEYMECFSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000223743105 571536793 /nfs/dbraw/zinc/53/67/93/571536793.db2.gz OPAJZOLOEKLOIJ-RPBOFIJWSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000223743159 571536708 /nfs/dbraw/zinc/53/67/08/571536708.db2.gz OPAJZOLOEKLOIJ-LOSJGSFVSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000223743207 571536752 /nfs/dbraw/zinc/53/67/52/571536752.db2.gz OPAJZOLOEKLOIJ-JWQCQUIFSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000223743286 571536799 /nfs/dbraw/zinc/53/67/99/571536799.db2.gz PCGMXCXRCNMJHG-DQEYMECFSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000223743336 571536786 /nfs/dbraw/zinc/53/67/86/571536786.db2.gz PCGMXCXRCNMJHG-RPBOFIJWSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000223743392 571536765 /nfs/dbraw/zinc/53/67/65/571536765.db2.gz PCGMXCXRCNMJHG-LOSJGSFVSA-N 0 0 506.628 4.201 40 10 KICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000223743442 571536794 /nfs/dbraw/zinc/53/67/94/571536794.db2.gz PCGMXCXRCNMJHG-JWQCQUIFSA-N 0 0 506.628 4.201 40 10 KICBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)cc2)C1 ZINC000223913942 571574214 /nfs/dbraw/zinc/57/42/14/571574214.db2.gz ZYNAGFOOGPSIBK-OAHLLOKOSA-N 0 0 506.053 4.159 40 10 KICBRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)cc2)C1 ZINC000223914000 571574279 /nfs/dbraw/zinc/57/42/79/571574279.db2.gz ZYNAGFOOGPSIBK-HNNXBMFYSA-N 0 0 506.053 4.159 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc(CN(c4c(C)cccc4C)S(C)(=O)=O)cc3)CC2)cc1 ZINC000224032625 571598854 /nfs/dbraw/zinc/59/88/54/571598854.db2.gz KLKFAHALMLGOJL-UHFFFAOYSA-N 0 0 507.656 4.241 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000224294583 571515517 /nfs/dbraw/zinc/51/55/17/571515517.db2.gz HLXXYXYSYGEXOQ-UHFFFAOYSA-N 0 0 511.644 4.062 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000224350103 571528053 /nfs/dbraw/zinc/52/80/53/571528053.db2.gz ULAGNWKVIFCZLQ-UHFFFAOYSA-N 0 0 529.634 4.201 40 10 KICBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCCCC2)cc1 ZINC000224406323 571539378 /nfs/dbraw/zinc/53/93/78/571539378.db2.gz UHDXOPGMSRVMJZ-OAHLLOKOSA-N 0 0 506.053 4.474 40 10 KICBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCCCC2)cc1 ZINC000224406373 571539390 /nfs/dbraw/zinc/53/93/90/571539390.db2.gz UHDXOPGMSRVMJZ-HNNXBMFYSA-N 0 0 506.053 4.474 40 10 KICBRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCCCC2)cc1 ZINC000224708431 571607443 /nfs/dbraw/zinc/60/74/43/571607443.db2.gz FPRLBOIDLQYSCG-OAHLLOKOSA-N 0 0 506.053 4.474 40 10 KICBRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCCCC2)cc1 ZINC000224708472 571607414 /nfs/dbraw/zinc/60/74/14/571607414.db2.gz FPRLBOIDLQYSCG-HNNXBMFYSA-N 0 0 506.053 4.474 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C)ccc3O2)cc1 ZINC000224734739 571612318 /nfs/dbraw/zinc/61/23/18/571612318.db2.gz WLSPKCAUZFKMOI-MHZLTWQESA-N 0 0 523.655 4.123 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C)ccc3O2)cc1 ZINC000224734787 571612309 /nfs/dbraw/zinc/61/23/09/571612309.db2.gz WLSPKCAUZFKMOI-HHHXNRCGSA-N 0 0 523.655 4.123 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000224782258 571616571 /nfs/dbraw/zinc/61/65/71/571616571.db2.gz SNIWPTGPSMGZOK-VWLOTQADSA-N 0 0 514.047 4.459 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000224782301 571616563 /nfs/dbraw/zinc/61/65/63/571616563.db2.gz SNIWPTGPSMGZOK-RUZDIDTESA-N 0 0 514.047 4.459 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CN(C)S(=O)(=O)c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000224795050 571617848 /nfs/dbraw/zinc/61/78/48/571617848.db2.gz UDVMWDAZTHWMHG-UHFFFAOYSA-N 0 0 544.073 4.140 40 10 KICBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224805853 571618839 /nfs/dbraw/zinc/61/88/39/571618839.db2.gz UROZOURUQQIQRY-UHFFFAOYSA-N 0 0 541.645 4.162 40 10 KICBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224827275 571620956 /nfs/dbraw/zinc/62/09/56/571620956.db2.gz IZQMDBDUZCRUQY-UHFFFAOYSA-N 0 0 537.682 4.185 40 10 KICBRN C[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224828742 571621058 /nfs/dbraw/zinc/62/10/58/571621058.db2.gz PWAVAOBMMQQXKP-NHCUHLMSSA-N 0 0 515.676 4.118 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1 ZINC000224875397 571625723 /nfs/dbraw/zinc/62/57/23/571625723.db2.gz DSKXJVQKDPHQPT-VWLOTQADSA-N 0 0 514.047 4.459 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1 ZINC000224875435 571625737 /nfs/dbraw/zinc/62/57/37/571625737.db2.gz DSKXJVQKDPHQPT-RUZDIDTESA-N 0 0 514.047 4.459 40 10 KICBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225162336 571653511 /nfs/dbraw/zinc/65/35/11/571653511.db2.gz QTFYRTDBCSEDJL-UHFFFAOYSA-N 0 0 525.671 4.370 40 10 KICBRN COc1ccc(N2CCN(C(=O)c3ccc(CN(c4cc(C)ccc4C)S(C)(=O)=O)cc3)CC2)cc1 ZINC000225212600 571658423 /nfs/dbraw/zinc/65/84/23/571658423.db2.gz NBVJATYKYYBTHV-UHFFFAOYSA-N 0 0 507.656 4.241 40 10 KICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccn1 ZINC000225387893 571757063 /nfs/dbraw/zinc/75/70/63/571757063.db2.gz 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/nfs/dbraw/zinc/12/97/80/572129780.db2.gz QKOQHNFJQIUIDQ-BJJRCQDQSA-N 0 0 740.847 4.474 40 10 KICBRN C[NH2+]Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263606027 572129744 /nfs/dbraw/zinc/12/97/44/572129744.db2.gz QKOQHNFJQIUIDQ-GITPODECSA-N 0 0 740.847 4.474 40 10 KICBRN C[NH2+]Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263606028 572129761 /nfs/dbraw/zinc/12/97/61/572129761.db2.gz QKOQHNFJQIUIDQ-PVGMRMIVSA-N 0 0 740.847 4.474 40 10 KICBRN C[NH2+]Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263606029 572129820 /nfs/dbraw/zinc/12/98/20/572129820.db2.gz QKOQHNFJQIUIDQ-SRGIWPKXSA-N 0 0 740.847 4.474 40 10 KICBRN C[C@H](C(=O)Nc1cccc(C(=O)C=O)c1)n1cc(CNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(N(C)C)cc3Oc3cc(N(C)C)ccc32)nn1 ZINC000299817157 572138611 /nfs/dbraw/zinc/13/86/11/572138611.db2.gz HWVATEYDJCJCRT-JOCHJYFZSA-N 0 0 713.751 4.489 40 10 in-vitro KICBRN C[C@@H](C(=O)Nc1cccc(C(=O)C=O)c1)n1cc(CNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(N(C)C)cc3Oc3cc(N(C)C)ccc32)nn1 ZINC000299817158 572138511 /nfs/dbraw/zinc/13/85/11/572138511.db2.gz HWVATEYDJCJCRT-QFIPXVFZSA-N 0 0 713.751 4.489 40 10 in-vitro KICBRN C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)CC1 ZINC000408526735 572158331 /nfs/dbraw/zinc/15/83/31/572158331.db2.gz CGWVSUFGMHDREJ-HKOYGPOVSA-N 0 0 595.704 4.067 40 10 KICBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)N(c2ccc(I)cc2)N=C1C ZINC000408526759 572158142 /nfs/dbraw/zinc/15/81/42/572158142.db2.gz CIBPIRPHULLLRD-VBKFSLOCSA-N 0 0 530.370 4.438 40 10 KICBRN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408526921 572158866 /nfs/dbraw/zinc/15/88/66/572158866.db2.gz CRLKUTXEIQXSAJ-CLCOLTQESA-N 0 0 539.615 4.061 40 10 KICBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408527500 572160184 /nfs/dbraw/zinc/16/01/84/572160184.db2.gz ATQBJEDHLVHWDP-IUXPMGMMSA-N 0 0 598.331 4.405 40 10 KICBRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000408527624 572160785 /nfs/dbraw/zinc/16/07/85/572160785.db2.gz BBJMFQRTBDNBNB-ZSOIEALJSA-N 0 0 520.835 4.368 40 10 KICBRN Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)c(N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000408527998 572162436 /nfs/dbraw/zinc/16/24/36/572162436.db2.gz GZUKNQHDKITUDZ-LYBHJNIJSA-N 0 0 702.654 4.438 40 10 KICBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408528312 572163659 /nfs/dbraw/zinc/16/36/59/572163659.db2.gz DOTMREUTGJOAFC-NSIKDUERSA-N 0 0 559.319 4.397 40 10 KICBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408529031 572166530 /nfs/dbraw/zinc/16/65/30/572166530.db2.gz GMNPQZPSGDRUCY-YBEGLDIGSA-N 0 0 540.404 4.196 40 10 KICBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)S1 ZINC000408529404 572168071 /nfs/dbraw/zinc/16/80/71/572168071.db2.gz HSJZPXKKZOGDES-MFOYZWKCSA-N 0 0 508.781 4.226 40 10 KICBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408530615 572172438 /nfs/dbraw/zinc/17/24/38/572172438.db2.gz MJAWGYVZZGYVEJ-VBKFSLOCSA-N 0 0 528.354 4.192 40 10 KICBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408531442 572176070 /nfs/dbraw/zinc/17/60/70/572176070.db2.gz KNDLJHKMUNPLJT-CYVLTUHYSA-N 0 0 570.435 4.190 40 10 KICBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408531698 572176939 /nfs/dbraw/zinc/17/69/39/572176939.db2.gz QAJKWSNEUDQNCQ-LSCVHKIXSA-N 0 0 599.834 4.386 40 10 KICBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000408531815 572177525 /nfs/dbraw/zinc/17/75/25/572177525.db2.gz RMVUBKOVVGMHDR-ODLFYWEKSA-N 0 0 532.416 4.280 40 10 KICBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000408532288 572179278 /nfs/dbraw/zinc/17/92/78/572179278.db2.gz TZGBLYWWBDGXJZ-ODLFYWEKSA-N 0 0 579.416 4.122 40 10 KICBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408532334 572179289 /nfs/dbraw/zinc/17/92/89/572179289.db2.gz UGFNQGVEKDRJIH-ZDLGFXPLSA-N 0 0 599.834 4.467 40 10 KICBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408532351 572179145 /nfs/dbraw/zinc/17/91/45/572179145.db2.gz UJSBJRHKSUQYAW-APSNUPSMSA-N 0 0 584.304 4.015 40 10 KICBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1 ZINC000408532403 572179662 /nfs/dbraw/zinc/17/96/62/572179662.db2.gz MOAUUMKIKNAUHE-VBKFSLOCSA-N 0 0 525.407 4.203 40 10 KICBRN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408532724 572180628 /nfs/dbraw/zinc/18/06/28/572180628.db2.gz VMMGPHBRYQSKAN-NVNXTCNLSA-N 0 0 528.349 4.276 40 10 KICBRN COc1cc(N2N=C(C)C(=CNc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)ccc1Cl ZINC000408532884 572181626 /nfs/dbraw/zinc/18/16/26/572181626.db2.gz RKRQMJYEMTYJPQ-SDXDJHTJSA-N 0 0 509.010 4.248 40 10 KICBRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000408533183 572182802 /nfs/dbraw/zinc/18/28/02/572182802.db2.gz XNXKQYIRUWTFCX-QPEQYQDCSA-N 0 0 535.260 4.468 40 10 KICBRN CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408533584 572183925 /nfs/dbraw/zinc/18/39/25/572183925.db2.gz OLBVBCUDXQBKLM-QQTULTPQSA-N 0 0 535.652 4.231 40 10 KICBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408533624 572184069 /nfs/dbraw/zinc/18/40/69/572184069.db2.gz ZNOXNBBHZMZRKL-LSCVHKIXSA-N 0 0 508.383 4.434 40 10 KICBRN CCn1c2ccc(NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)cc2n(CC)c1=O ZINC000408534170 572185245 /nfs/dbraw/zinc/18/52/45/572185245.db2.gz VDBDGKVVTAQIFD-AQTBWJFISA-N 0 0 515.355 4.166 40 10 KICBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C ZINC000408535014 572187555 /nfs/dbraw/zinc/18/75/55/572187555.db2.gz SAHRRNCWQHFRJD-JXAWBTAJSA-N 0 0 523.435 4.267 40 10 KICBRN COc1cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408536616 572191848 /nfs/dbraw/zinc/19/18/48/572191848.db2.gz AEFVQJJEDAOJST-UHFFFAOYSA-N 0 0 508.983 4.421 40 10 KICBRN CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000408536800 572192253 /nfs/dbraw/zinc/19/22/53/572192253.db2.gz YEUUYWWDZRGPKQ-JCMHNJIXSA-N 0 0 574.435 4.155 40 10 KICBRN CCOc1cc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408536848 572192756 /nfs/dbraw/zinc/19/27/56/572192756.db2.gz BJAVVTPYGCUBSO-UHFFFAOYSA-N 0 0 518.591 4.166 40 10 KICBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408537072 572193346 /nfs/dbraw/zinc/19/33/46/572193346.db2.gz YZTZOGGOTUUEKX-CYVLTUHYSA-N 0 0 523.435 4.348 40 10 KICBRN CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NN1C(=O)c2cccc3cc(O)cc(c32)C1=O ZINC000408537284 572193843 /nfs/dbraw/zinc/19/38/43/572193843.db2.gz ZVAAJMNIDBJCNX-ODLFYWEKSA-N 0 0 505.328 4.024 40 10 KICBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538477 572198735 /nfs/dbraw/zinc/19/87/35/572198735.db2.gz NMYQYSXKGOQPPN-UHFFFAOYSA-N 0 0 518.591 4.166 40 10 KICBRN COc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539086 572200557 /nfs/dbraw/zinc/20/05/57/572200557.db2.gz SOUWEILUSFNULY-UHFFFAOYSA-N 0 0 539.009 4.430 40 10 KICBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cc2c(cc1N(C)C)n(C)c(=O)n2C ZINC000408539893 572203748 /nfs/dbraw/zinc/20/37/48/572203748.db2.gz ZUQBUMZNTPQFCB-VBKFSLOCSA-N 0 0 511.424 4.041 40 10 KICBRN CCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)C(=O)N(CC)C1=S ZINC000408544090 572214826 /nfs/dbraw/zinc/21/48/26/572214826.db2.gz UPPSUKMNKCWSBA-UHFFFAOYSA-N 0 0 535.666 4.279 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)CC2)cc1 ZINC000408545778 572220627 /nfs/dbraw/zinc/22/06/27/572220627.db2.gz ACWSFRRFXHXRNG-UHFFFAOYSA-N 0 0 537.726 4.278 40 10 KICBRN COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C1=O ZINC000408548914 572230178 /nfs/dbraw/zinc/23/01/78/572230178.db2.gz NHFOOCHOZXTVLD-KGENOOAVSA-N 0 0 532.622 4.352 40 10 KICBRN COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000408549761 572232474 /nfs/dbraw/zinc/23/24/74/572232474.db2.gz YNCLMCXHLSSWIZ-LPYMAVHISA-N 0 0 506.540 4.219 40 10 KICBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550673 572234555 /nfs/dbraw/zinc/23/45/55/572234555.db2.gz GFGOKMRAFIEEIN-UHFFFAOYSA-N 0 0 573.252 4.086 40 10 KICBRN O=C(COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408550704 572234617 /nfs/dbraw/zinc/23/46/17/572234617.db2.gz GPDCNVJQZVIWHJ-UHFFFAOYSA-N 0 0 519.193 4.232 40 10 KICBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408550749 572234669 /nfs/dbraw/zinc/23/46/69/572234669.db2.gz JNZZOXVZGXLJGE-YBFXNURJSA-N 0 0 535.407 4.357 40 10 KICBRN O=C(COc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408551064 572235456 /nfs/dbraw/zinc/23/54/56/572235456.db2.gz JJFUXRRDYKOKAJ-UHFFFAOYSA-N 0 0 608.095 4.450 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000408553707 572241013 /nfs/dbraw/zinc/24/10/13/572241013.db2.gz AXKJRYJVCZBFQH-UHFFFAOYSA-N 0 0 544.073 4.210 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4cccc(Cl)c4)c3)CC2)cc1 ZINC000408554607 572242183 /nfs/dbraw/zinc/24/21/83/572242183.db2.gz CQOOXBVECYIAHO-UHFFFAOYSA-N 0 0 516.019 4.120 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000408557890 572245288 /nfs/dbraw/zinc/24/52/88/572245288.db2.gz ONYITISZBDTYRY-UHFFFAOYSA-N 0 0 516.019 4.120 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000408560808 572247702 /nfs/dbraw/zinc/24/77/02/572247702.db2.gz QEZBQDFYKXENFP-UHFFFAOYSA-N 0 0 549.571 4.242 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3Cl)CC2)cc1 ZINC000408589976 572267474 /nfs/dbraw/zinc/26/74/74/572267474.db2.gz INUBJTOYRRCHAC-UHFFFAOYSA-N 0 0 556.084 4.218 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3Cl)CC2)cc1 ZINC000408592754 572268829 /nfs/dbraw/zinc/26/88/29/572268829.db2.gz LOOVIQOQUNYJOR-UHFFFAOYSA-N 0 0 530.046 4.185 40 10 KICBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000408593161 572269094 /nfs/dbraw/zinc/26/90/94/572269094.db2.gz MVLOKADDIJMXGB-UHFFFAOYSA-N 0 0 574.099 4.218 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3Cl)CC2)cc1 ZINC000408593295 572269099 /nfs/dbraw/zinc/26/90/99/572269099.db2.gz PWSARRQYTLDOPU-UHFFFAOYSA-N 0 0 534.009 4.016 40 10 KICBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408600966 572272718 /nfs/dbraw/zinc/27/27/18/572272718.db2.gz HVXPREDFTOUOJD-ODLFYWEKSA-N 0 0 521.016 4.225 40 10 KICBRN COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)OC(C)C ZINC000408603011 572273467 /nfs/dbraw/zinc/27/34/67/572273467.db2.gz PRIOLAJHDDBPHC-YVNNLAQVSA-N 0 0 544.695 4.474 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)CC2)cc1 ZINC000408610074 572275957 /nfs/dbraw/zinc/27/59/57/572275957.db2.gz UVFLFFFCAORLNP-UHFFFAOYSA-N 0 0 530.046 4.185 40 10 KICBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)c(C)c3)CC2)cc1 ZINC000408627221 572284192 /nfs/dbraw/zinc/28/41/92/572284192.db2.gz YLVVDDVQXIYTIY-UHFFFAOYSA-N 0 0 500.020 4.420 40 10 KICBRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)c2)cc1 ZINC000408636275 572293118 /nfs/dbraw/zinc/29/31/18/572293118.db2.gz NFTULROLRBQGSY-UHFFFAOYSA-N 0 0 560.072 4.276 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3C)CC2)cc1 ZINC000408674875 572317617 /nfs/dbraw/zinc/31/76/17/572317617.db2.gz LJGCWMLTKRJXSD-UHFFFAOYSA-N 0 0 523.655 4.149 40 10 KICBRN Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C ZINC000408677559 572319236 /nfs/dbraw/zinc/31/92/36/572319236.db2.gz AVRDRHAJKNZSNL-JTAQYXEDSA-N 0 0 539.426 4.110 40 10 KICBRN Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1C ZINC000408677560 572319255 /nfs/dbraw/zinc/31/92/55/572319255.db2.gz AVRDRHAJKNZSNL-MZKRTTBSSA-N 0 0 539.426 4.110 40 10 KICBRN Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C ZINC000408677562 572319235 /nfs/dbraw/zinc/31/92/35/572319235.db2.gz AVRDRHAJKNZSNL-VIZSFHNOSA-N 0 0 539.426 4.110 40 10 KICBRN Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1C ZINC000408677564 572319240 /nfs/dbraw/zinc/31/92/40/572319240.db2.gz AVRDRHAJKNZSNL-ZRCGQRJVSA-N 0 0 539.426 4.110 40 10 KICBRN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000408677971 572319478 /nfs/dbraw/zinc/31/94/78/572319478.db2.gz BDSZKPQPXMNUFU-LVCYWYKZSA-N 0 0 545.817 4.147 40 10 KICBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000408677975 572319467 /nfs/dbraw/zinc/31/94/67/572319467.db2.gz BDSZKPQPXMNUFU-OPYAIIAOSA-N 0 0 545.817 4.147 40 10 KICBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000408677977 572319420 /nfs/dbraw/zinc/31/94/20/572319420.db2.gz BDSZKPQPXMNUFU-UEXGIBASSA-N 0 0 545.817 4.147 40 10 KICBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000408677980 572319432 /nfs/dbraw/zinc/31/94/32/572319432.db2.gz BDSZKPQPXMNUFU-WFXMLNOXSA-N 0 0 545.817 4.147 40 10 KICBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3C)CC2)cc1 ZINC000408678587 572319919 /nfs/dbraw/zinc/31/99/19/572319919.db2.gz SWRIJBAQJZFELC-UHFFFAOYSA-N 0 0 530.046 4.185 40 10 KICBRN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408758479 1064286653 /nfs/dbraw/zinc/28/66/53/1064286653.db2.gz KRZNSSTYIRSIGR-YBEGLDIGSA-N 0 0 561.444 4.255 40 10 KICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000408773258 1064273161 /nfs/dbraw/zinc/27/31/61/1064273161.db2.gz QFMKWXFGGQDJQN-QBXVKSGMSA-N 0 0 555.425 4.000 40 10 KICBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408777214 1064289742 /nfs/dbraw/zinc/28/97/42/1064289742.db2.gz WMBZIDUPNUDGNN-PLDFPGSMSA-N 0 0 510.974 4.209 40 10 KICBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408779032 1064290864 /nfs/dbraw/zinc/29/08/64/1064290864.db2.gz PHQVXEVBWVLGHD-ONUIUJJFSA-N 0 0 518.610 4.396 40 10 KICBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000408782734 1064291308 /nfs/dbraw/zinc/29/13/08/1064291308.db2.gz IYJLDFDGHMDIHU-RRAHZORUSA-N 0 0 584.669 4.357 40 10 KICBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000408783780 1064292205 /nfs/dbraw/zinc/29/22/05/1064292205.db2.gz MTSPVADQOMGIHS-DIBXZPPDSA-N 0 0 510.590 4.297 40 10 KICBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408785297 1064291988 /nfs/dbraw/zinc/29/19/88/1064291988.db2.gz WDSMJBSUJKCYTM-ITYLOYPMSA-N 0 0 562.663 4.447 40 10 KICBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000408788011 1064291362 /nfs/dbraw/zinc/29/13/62/1064291362.db2.gz CFBYCULKOHNBSM-UQQQWYQISA-N 0 0 504.583 4.400 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408800361 1064291866 /nfs/dbraw/zinc/29/18/66/1064291866.db2.gz OMSXOCXQPVTDGW-SJJVXOANSA-N 0 0 515.610 4.345 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408851352 195490398 /nfs/dbraw/zinc/49/03/98/195490398.db2.gz BUFKZLPWHJHPGK-BIWBSIMWSA-N 0 0 549.693 4.137 40 10 KICBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1 ZINC000408852938 195494581 /nfs/dbraw/zinc/49/45/81/195494581.db2.gz OOSDDKPXRQLCBM-QYTZQGLJSA-N 0 0 538.673 4.339 40 10 KICBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 ZINC000408868858 1064274002 /nfs/dbraw/zinc/27/40/02/1064274002.db2.gz PNMFBTZTZNECAW-AUAXKSBWSA-N 0 0 569.452 4.390 40 10 KICBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000408882631 1064274045 /nfs/dbraw/zinc/27/40/45/1064274045.db2.gz PSCDMWQJQWLQDI-UHFFFAOYSA-N 0 0 525.380 4.135 40 10 KICBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(O)c1 ZINC000408919853 1064274367 /nfs/dbraw/zinc/27/43/67/1064274367.db2.gz DHNHKVBYIZQHLK-RISWYLRJSA-N 0 0 551.734 4.461 40 10 KICBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3sc(=Cc4cc(C)n(-c5cccc(C(C)=O)c5)c4C)c(=O)n32)cc1OCC ZINC000408939727 1064274395 /nfs/dbraw/zinc/27/43/95/1064274395.db2.gz UCLYOOKRGZKRMM-SWFNHZAASA-N 0 0 599.709 4.426 40 10 KICBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1 ZINC000408997897 1064274569 /nfs/dbraw/zinc/27/45/69/1064274569.db2.gz PATVVZZWZPNUIC-FYJGNVAPSA-N 0 0 518.486 4.288 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050403 195499561 /nfs/dbraw/zinc/49/95/61/195499561.db2.gz VIZGBXVTVZLTGX-DJPQNNMESA-N 0 0 643.762 4.465 40 10 KICBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050404 195499557 /nfs/dbraw/zinc/49/95/57/195499557.db2.gz VIZGBXVTVZLTGX-PQNXSAFSSA-N 0 0 643.762 4.465 40 10 KICBRN CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409085530 1064275433 /nfs/dbraw/zinc/27/54/33/1064275433.db2.gz SIRMYZIQVGPLES-WOJGMQOQSA-N 0 0 563.435 4.269 40 10 KICBRN COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089707 1064275619 /nfs/dbraw/zinc/27/56/19/1064275619.db2.gz JSQXWMQOTUMSPU-FRKPEAEDSA-N 0 0 675.304 4.483 40 10 KICBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1 ZINC000409132116 1064275186 /nfs/dbraw/zinc/27/51/86/1064275186.db2.gz OVPSXJVLXIGHHU-INQBOMSASA-N 0 0 571.522 4.495 40 10 KICBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 ZINC000409132118 1064275570 /nfs/dbraw/zinc/27/55/70/1064275570.db2.gz OVPSXJVLXIGHHU-ZVQOCGJUSA-N 0 0 571.522 4.495 40 10 KICBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O ZINC000409231830 195508283 /nfs/dbraw/zinc/50/82/83/195508283.db2.gz KXBCDRKLVCHNRU-BUVRLJJBSA-N 0 0 514.582 4.283 40 10 KICBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409232312 195509565 /nfs/dbraw/zinc/50/95/65/195509565.db2.gz QAFYSDKBYUPMGU-MOSHPQCFSA-N 0 0 563.495 4.410 40 10 KICBRN