smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(Br)cc([N+](=O)[O-])c1N=Cc1c(C)[nH]n(-c2cccc(C)c2)c1=O ZINC000408534315 555750908 /nfs/dbraw/zinc/75/09/08/555750908.db2.gz QGJMOTARFNMJTL-BOPFTXTBSA-N 0 1 443.301 4.947 40 10 IJCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000009259602 556267758 /nfs/dbraw/zinc/26/77/58/556267758.db2.gz LIDHUXHHTQLROB-ZHZULCJRSA-N 0 1 438.911 4.714 40 10 IJCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000009259623 556267992 /nfs/dbraw/zinc/26/79/92/556267992.db2.gz QZVKJVOIESJGLW-RGEXLXHISA-N 0 1 438.911 4.714 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409194659 556993392 /nfs/dbraw/zinc/99/33/92/556993392.db2.gz KZMLLYHWBUVKCG-HAHDFKILSA-N 0 1 427.504 4.652 40 10 IJCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000409228378 557015337 /nfs/dbraw/zinc/01/53/37/557015337.db2.gz YBANRBTZMUBINS-SFQUDFHCSA-N 0 1 442.418 4.797 40 10 IJCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409221112 557016556 /nfs/dbraw/zinc/01/65/56/557016556.db2.gz LAPNRSRSFZFFEO-VBEHJTROSA-N 0 1 448.466 4.714 40 10 IJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409236313 557018171 /nfs/dbraw/zinc/01/81/71/557018171.db2.gz DPIYRZSHAICVCQ-XDHOZWIPSA-N 0 1 435.936 4.579 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)cc1Cl ZINC000409237731 557019380 /nfs/dbraw/zinc/01/93/80/557019380.db2.gz BPAMHMMPCRCTJM-OVCLIPMQSA-N 0 1 449.359 4.920 40 10 IJCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C(=O)NC1=S ZINC000208197130 557079063 /nfs/dbraw/zinc/07/90/63/557079063.db2.gz ZWELYSYAJFIKOP-RZKQZQCBSA-N 0 1 447.604 4.802 40 10 IJCBMN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C(=O)OCC)cc1 ZINC000112293401 557239166 /nfs/dbraw/zinc/23/91/66/557239166.db2.gz MOFPCESOXMFQRT-QNGOZBTKSA-N 0 1 436.468 4.660 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000059135831 557815541 /nfs/dbraw/zinc/81/55/41/557815541.db2.gz HVXRSEYCCXLZSL-RVDMUPIBSA-N 0 1 437.408 4.666 40 10 IJCBMN CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000059136103 557815588 /nfs/dbraw/zinc/81/55/88/557815588.db2.gz IWXUJLPFWGFSEF-XYOKQWHBSA-N 0 1 434.876 4.558 40 10 IJCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000059109536 557820479 /nfs/dbraw/zinc/82/04/79/557820479.db2.gz MYDXSFZEGLUYQP-UDWIEESQSA-N 0 1 436.468 4.637 40 10 IJCBMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000059109541 557820492 /nfs/dbraw/zinc/82/04/92/557820492.db2.gz WTORJSIFDNYETC-KGENOOAVSA-N 0 1 449.507 4.516 40 10 IJCBMN Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000034703684 569259858 /nfs/dbraw/zinc/25/98/58/569259858.db2.gz IRIJDWDOSKMNFM-RVDMUPIBSA-N 0 1 427.476 4.545 40 10 IJCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1O ZINC000038185349 569260211 /nfs/dbraw/zinc/26/02/11/569260211.db2.gz RBUQNJFNZXBENF-OQLLNIDSSA-N 0 1 430.913 4.678 40 10 IJCBMN CC[C@@H](C)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408550506 555865084 /nfs/dbraw/zinc/86/50/84/555865084.db2.gz HLVCATIIHWYKRB-COOUDCDJSA-N 0 1 431.920 4.736 40 10 IJCBMN COc1cc(-n2[nH]c(C)c(C=Nc3c(C)nn(-c4ccccc4)c3C)c2=O)ccc1Cl ZINC000408757914 556587472 /nfs/dbraw/zinc/58/74/72/556587472.db2.gz SDSIALZOWWYHJX-CPNJWEJPSA-N 0 1 435.915 4.870 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408759501 556687022 /nfs/dbraw/zinc/68/70/22/556687022.db2.gz GDYVEUZPGDICSZ-HYARGMPZSA-N 0 1 443.572 4.851 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1C ZINC000408760741 556687505 /nfs/dbraw/zinc/68/75/05/556687505.db2.gz FGWDARXTJUMVIP-QGOAFFKASA-N 0 1 434.542 4.879 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1 ZINC000408787206 556856692 /nfs/dbraw/zinc/85/66/92/556856692.db2.gz UPLFLSINLVUAKZ-HYARGMPZSA-N 0 1 429.545 4.542 40 10 IJCBMN C=C1N=C(SCc2ccc(F)cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991025 556911430 /nfs/dbraw/zinc/91/14/30/556911430.db2.gz PKZSKLOUKYHOJS-NRFANRHFSA-N 0 1 427.545 4.663 40 10 IJCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O ZINC000409024127 556925127 /nfs/dbraw/zinc/92/51/27/556925127.db2.gz WVBGALXOGXHESN-HBBMIWKISA-N 0 1 448.519 4.988 40 10 IJCBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000409136899 556969993 /nfs/dbraw/zinc/96/99/93/556969993.db2.gz TYJYCYVYWKMOAE-XSFVSMFZSA-N 0 1 429.545 4.542 40 10 IJCBMN CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1C(C)C ZINC000409141216 556972362 /nfs/dbraw/zinc/97/23/62/556972362.db2.gz HGTZQBIXFOIAAQ-DEDYPNTBSA-N 0 1 436.577 4.965 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1C(C)C ZINC000409229659 557015708 /nfs/dbraw/zinc/01/57/08/557015708.db2.gz SMSTVFHPVUNVRC-RQZCQDPDSA-N 0 1 435.471 4.536 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1C(C)(C)C ZINC000409235331 557026218 /nfs/dbraw/zinc/02/62/18/557026218.db2.gz OUIZQBSFLLULKL-LICLKQGHSA-N 0 1 449.498 4.710 40 10 IJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1 ZINC000409241330 557031653 /nfs/dbraw/zinc/03/16/53/557031653.db2.gz RGBPUBYDZSOGEN-QGOAFFKASA-N 0 1 434.542 4.879 40 10 IJCBMN CCOc1cc(Cl)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000059139136 557816541 /nfs/dbraw/zinc/81/65/41/557816541.db2.gz XFZCXMXEULUWCE-UKTHLTGXSA-N 0 1 448.903 4.948 40 10 IJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000107810178 569251346 /nfs/dbraw/zinc/25/13/46/569251346.db2.gz NHNCRLRVWKKOGZ-CPNJWEJPSA-N 0 1 436.920 4.994 40 10 IJCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Cl)c(Cl)c1 ZINC000109280539 569253586 /nfs/dbraw/zinc/25/35/86/569253586.db2.gz LZWFKRQHJUJZIL-YFHOEESVSA-N 0 1 444.702 4.530 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(F)(F)F ZINC000108134374 569260805 /nfs/dbraw/zinc/26/08/05/569260805.db2.gz JOHCQWOODACBML-AQTBWJFISA-N 0 1 425.410 4.574 40 10 IJCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1c2nsnc2ccc1C ZINC000408531010 555728657 /nfs/dbraw/zinc/72/86/57/555728657.db2.gz KAQLXAMHPQUPQM-ZROIWOOFSA-N 0 1 442.342 4.789 40 10 IJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000408692067 556094505 /nfs/dbraw/zinc/09/45/05/556094505.db2.gz CRPAGWTWHLEPEJ-LFVJCYFKSA-N 0 1 440.499 4.823 40 10 IJCBMN COc1ccc(N2C(=O)C(=Cc3c(OC)ccc4ccc(OC)cc43)C(=O)NC2=S)cc1 ZINC000032116437 556532186 /nfs/dbraw/zinc/53/21/86/556532186.db2.gz FZEMRAYHTBFJBS-DEDYPNTBSA-N 0 1 448.500 4.537 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)cc1 ZINC000408871696 556874963 /nfs/dbraw/zinc/87/49/63/556874963.db2.gz ZDNMAGBSYCFXGF-HKWRFOASSA-N 0 1 432.932 4.762 40 10 IJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000408916490 556890508 /nfs/dbraw/zinc/89/05/08/556890508.db2.gz DHJPYTPMHHHVND-BOPFTXTBSA-N 0 1 426.856 4.570 40 10 IJCBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409123481 556962490 /nfs/dbraw/zinc/96/24/90/556962490.db2.gz GNEXHJJKFRWOTJ-XSFVSMFZSA-N 0 1 430.529 4.687 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(=O)NC2=S)c(C)c1 ZINC000409132466 556963922 /nfs/dbraw/zinc/96/39/22/556963922.db2.gz YBSZSSKROBPXQD-KGENOOAVSA-N 0 1 429.545 4.542 40 10 IJCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000059138548 557816281 /nfs/dbraw/zinc/81/62/81/557816281.db2.gz JGJATLHTNYIXMW-JLHYYAGUSA-N 0 1 436.320 4.858 40 10 IJCBMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000015134011 527525955 /nfs/dbraw/zinc/52/59/55/527525955.db2.gz RQWPOQSYOJOYLX-YBFXNURJSA-N 0 1 427.291 4.999 40 10 IJCBMN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S)c1cccs1 ZINC000408601251 555969791 /nfs/dbraw/zinc/96/97/91/555969791.db2.gz JJCVJTFNKLPGKO-CXUHLZMHSA-N 0 1 448.497 4.833 40 10 IJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408692779 556092284 /nfs/dbraw/zinc/09/22/84/556092284.db2.gz VDSSPOLETUQISV-LFVJCYFKSA-N 0 1 440.499 4.823 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408692034 556094111 /nfs/dbraw/zinc/09/41/11/556094111.db2.gz BUJVYZZPVWHYEJ-LICLKQGHSA-N 0 1 446.334 4.805 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739609 556210699 /nfs/dbraw/zinc/21/06/99/556210699.db2.gz CZILRRRMEIYMFP-HYARGMPZSA-N 0 1 429.545 4.542 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1 ZINC000408776124 556847364 /nfs/dbraw/zinc/84/73/64/556847364.db2.gz UISGAIRGOHFGSP-XDHOZWIPSA-N 0 1 427.957 4.705 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000408941574 556896980 /nfs/dbraw/zinc/89/69/80/556896980.db2.gz XCUNOPCZEYDMRV-XSFVSMFZSA-N 0 1 448.931 4.750 40 10 IJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)c1 ZINC000409127633 556966125 /nfs/dbraw/zinc/96/61/25/556966125.db2.gz DVVXLQKTHCVHAB-XSFVSMFZSA-N 0 1 429.545 4.542 40 10 IJCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409223454 557017565 /nfs/dbraw/zinc/01/75/65/557017565.db2.gz ZNVDHDSKCYYQBB-UKTHLTGXSA-N 0 1 435.332 4.612 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409248145 557029229 /nfs/dbraw/zinc/02/92/29/557029229.db2.gz GIJVMSRCVHRCCM-HYARGMPZSA-N 0 1 443.572 4.851 40 10 IJCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C(=O)NC1=S ZINC000208197084 557079130 /nfs/dbraw/zinc/07/91/30/557079130.db2.gz ZWELYSYAJFIKOP-ZGPWBKFBSA-N 0 1 447.604 4.802 40 10 IJCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Cl)cc1OC ZINC000059139141 557816706 /nfs/dbraw/zinc/81/67/06/557816706.db2.gz ZMJTXVYWSHDTNS-XYOKQWHBSA-N 0 1 434.876 4.558 40 10 IJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208312584 569261164 /nfs/dbraw/zinc/26/11/64/569261164.db2.gz WPPMKSLFWLLPID-AQRZYSDFSA-N 0 1 447.604 4.938 40 10 IJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208311862 569261266 /nfs/dbraw/zinc/26/12/66/569261266.db2.gz URJACQZBQCNOJC-ZGPWBKFBSA-N 0 1 433.577 4.630 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1C ZINC000408764122 556829251 /nfs/dbraw/zinc/82/92/51/556829251.db2.gz RSQOLEDBPLJVMI-CPNJWEJPSA-N 0 1 434.542 4.879 40 10 IJCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000408917617 556888995 /nfs/dbraw/zinc/88/89/95/556888995.db2.gz YMTGCXPZWPDFFA-JTMDUIFQSA-N 0 1 448.519 4.988 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408937842 556896997 /nfs/dbraw/zinc/89/69/97/556896997.db2.gz PIRBVVCFQBLHSL-KGENOOAVSA-N 0 1 448.931 4.750 40 10 IJCBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409009537 556917418 /nfs/dbraw/zinc/91/74/18/556917418.db2.gz GBIACZBAGDFGKM-KGENOOAVSA-N 0 1 430.529 4.687 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c1 ZINC000409012114 556918411 /nfs/dbraw/zinc/91/84/11/556918411.db2.gz IVLGLFWTHZRSMC-XDHOZWIPSA-N 0 1 435.936 4.579 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c(C)c1 ZINC000409135640 556969405 /nfs/dbraw/zinc/96/94/05/556969405.db2.gz ZNHXWNJJVSPOPV-XDHOZWIPSA-N 0 1 449.963 4.887 40 10 IJCBMN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409179790 556987775 /nfs/dbraw/zinc/98/77/75/556987775.db2.gz UYPMDADVQYLKRV-MKMNVTDBSA-N 0 1 440.861 4.507 40 10 IJCBMN Cc1ccccc1N1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc32)C(=O)NC1=S ZINC000409229389 557015917 /nfs/dbraw/zinc/01/59/17/557015917.db2.gz OKJVZUOCNHNACU-XSFVSMFZSA-N 0 1 430.529 4.767 40 10 IJCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409251493 557036573 /nfs/dbraw/zinc/03/65/73/557036573.db2.gz PDOPUPIYAPXUEK-BGARDKSCSA-N 0 1 428.941 4.657 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1C ZINC000208196349 557079087 /nfs/dbraw/zinc/07/90/87/557079087.db2.gz TWABGCFLZNSPMJ-UOEVCUDDSA-N 0 1 447.604 4.857 40 10 IJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208502025 557092876 /nfs/dbraw/zinc/09/28/76/557092876.db2.gz JGPAFIZRDZYGKB-KGENOOAVSA-N 0 1 445.588 4.848 40 10 IJCBMN CCOc1ccc(Br)cc1C=C1C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000059136441 557815804 /nfs/dbraw/zinc/81/58/04/557815804.db2.gz LVGHRBLFBXXEBT-JLHYYAGUSA-N 0 1 449.301 4.659 40 10 IJCBMN Cc1c(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C ZINC000059250479 557819491 /nfs/dbraw/zinc/81/94/91/557819491.db2.gz AXNLVKZKNONRAE-GDNBJRDFSA-N 0 1 444.343 4.625 40 10 IJCBMN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1O ZINC000059485189 557825438 /nfs/dbraw/zinc/82/54/38/557825438.db2.gz IQXVCMUQSJBKSU-ZSOIEALJSA-N 0 1 436.103 4.723 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408756330 556239460 /nfs/dbraw/zinc/23/94/60/556239460.db2.gz RJUHTYGQBBDIQA-FYJGNVAPSA-N 0 1 449.963 4.887 40 10 IJCBMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C)cc2C)c1=O ZINC000408757728 556570849 /nfs/dbraw/zinc/57/08/49/556570849.db2.gz POPIYNTUITZJFT-FYJGNVAPSA-N 0 1 444.495 4.733 40 10 IJCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000408763956 556829233 /nfs/dbraw/zinc/82/92/33/556829233.db2.gz HBJIXVMHTOOVQP-PXLXIMEGSA-N 0 1 443.572 4.796 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000408791182 556857216 /nfs/dbraw/zinc/85/72/16/556857216.db2.gz WBAGHLZWGHGIGE-OEAKJJBVSA-N 0 1 443.572 4.851 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1C(C)(C)C ZINC000409064528 556940988 /nfs/dbraw/zinc/94/09/88/556940988.db2.gz HJHBRQNOIMQYHD-LFIBNONCSA-N 0 1 429.973 4.653 40 10 IJCBMN 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/nfs/dbraw/zinc/81/55/68/557815568.db2.gz SICXLSHPSFCIFX-KAMYIIQDSA-N 0 1 437.408 4.666 40 10 IJCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC ZINC000059136290 557815919 /nfs/dbraw/zinc/81/59/19/557815919.db2.gz YZEUCBVRYKELBF-UKTHLTGXSA-N 0 1 448.903 4.948 40 10 IJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000408756867 556236881 /nfs/dbraw/zinc/23/68/81/556236881.db2.gz UNYFGXGPKKXZPB-XMHGGMMESA-N 0 1 434.542 4.825 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000408766619 556829973 /nfs/dbraw/zinc/82/99/73/556829973.db2.gz DNIZAAPVOWPFKI-HYARGMPZSA-N 0 1 443.572 4.851 40 10 IJCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408856558 556871016 /nfs/dbraw/zinc/87/10/16/556871016.db2.gz QJQCRHRJYQSVGT-NTCAYCPXSA-N 0 1 448.375 4.671 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccc1 ZINC000409077437 556944243 /nfs/dbraw/zinc/94/42/43/556944243.db2.gz DVJWLCCRUQSDCL-UYRXBGFRSA-N 0 1 449.963 4.887 40 10 IJCBMN COc1ccccc1N1C(=O)/C(=C\c2ccccc2Sc2ccccc2)C(=O)NC1=S ZINC000409173158 556984292 /nfs/dbraw/zinc/98/42/92/556984292.db2.gz LIQSEFGLNGYJTF-SDXDJHTJSA-N 0 1 446.553 4.678 40 10 IJCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc12 ZINC000409220653 557016228 /nfs/dbraw/zinc/01/62/28/557016228.db2.gz CTRNRBFTHWGCLS-WOJGMQOQSA-N 0 1 436.920 4.642 40 10 IJCBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C ZINC000409230969 557022704 /nfs/dbraw/zinc/02/27/04/557022704.db2.gz AIKRDPLAGQMNEJ-GHRIWEEISA-N 0 1 435.936 4.579 40 10 IJCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3C)C1=O)C(C)=CC(C)(C)N2C ZINC000208450646 557087509 /nfs/dbraw/zinc/08/75/09/557087509.db2.gz OVZHTNYCLZHWNA-DEDYPNTBSA-N 0 1 445.588 4.766 40 10 IJCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001168314 557119694 /nfs/dbraw/zinc/11/96/94/557119694.db2.gz MNKXVHNPZQAWAW-OQLLNIDSSA-N 0 1 441.783 4.604 40 10 IJCBMN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccccc2)cc1 ZINC000013139045 557299172 /nfs/dbraw/zinc/29/91/72/557299172.db2.gz JLTGEHTYNHUIRG-DOEKTCAHSA-N 0 1 435.612 4.840 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 ZINC000260572527 557492504 /nfs/dbraw/zinc/49/25/04/557492504.db2.gz WRXGSWBUPAFIMF-VYVDHXHBSA-N 0 1 447.604 4.857 40 10 IJCBMN COc1cc(C=C2C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC ZINC000034107432 557810977 /nfs/dbraw/zinc/81/09/77/557810977.db2.gz XZYPNJXZZIHXMH-RIYZIHGNSA-N 0 1 430.913 4.646 40 10 IJCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000059136193 557815887 /nfs/dbraw/zinc/81/58/87/557815887.db2.gz ZWZINZZNMZNDIN-LDADJPATSA-N 0 1 435.480 4.610 40 10 IJCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C(=O)NC1=S ZINC000409072478 556946095 /nfs/dbraw/zinc/94/60/95/556946095.db2.gz CGOSBZRIGKVGSG-NTEUORMPSA-N 0 1 449.359 4.920 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccccc1F 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ZINC000409193010 556992521 /nfs/dbraw/zinc/99/25/21/556992521.db2.gz AFVSETHNCDDMEE-YVLHZVERSA-N 0 1 446.334 4.805 40 10 IJCBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1C(C)C ZINC000409226914 557014319 /nfs/dbraw/zinc/01/43/19/557014319.db2.gz NWNSBEGAWJHWPU-VCHYOVAHSA-N 0 1 442.968 4.920 40 10 IJCBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409222639 557017498 /nfs/dbraw/zinc/01/74/98/557017498.db2.gz CPJJZFFANMJDLG-GHRIWEEISA-N 0 1 436.920 4.723 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccccc1C ZINC000409244785 557026838 /nfs/dbraw/zinc/02/68/38/557026838.db2.gz IRHRZNYZLMWLOS-KGENOOAVSA-N 0 1 443.572 4.851 40 10 IJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc12 ZINC000409248984 557029822 /nfs/dbraw/zinc/02/98/22/557029822.db2.gz MHFLOIUTOAABIY-GHRIWEEISA-N 0 1 436.920 4.723 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 ZINC000208195863 557079018 /nfs/dbraw/zinc/07/90/18/557079018.db2.gz 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IJCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408854095 556871570 /nfs/dbraw/zinc/87/15/70/556871570.db2.gz XLXDTXVTTVQPCV-VQHVLOKHSA-N 0 1 429.687 4.617 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1 ZINC000408869057 556874128 /nfs/dbraw/zinc/87/41/28/556874128.db2.gz QNAXJFMJPQQLLN-ZHZULCJRSA-N 0 1 448.931 4.750 40 10 IJCBMN Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000408900281 556882305 /nfs/dbraw/zinc/88/23/05/556882305.db2.gz UQJPOPIUWOHNRV-HAHDFKILSA-N 0 1 442.540 4.714 40 10 IJCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1C ZINC000408968368 556903573 /nfs/dbraw/zinc/90/35/73/556903573.db2.gz WCHDLRDEDWJEAD-PXLXIMEGSA-N 0 1 443.572 4.796 40 10 IJCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O ZINC000409024128 556925147 /nfs/dbraw/zinc/92/51/47/556925147.db2.gz WVBGALXOGXHESN-HFITWMCCSA-N 0 1 448.519 4.988 40 10 IJCBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409064686 556941166 /nfs/dbraw/zinc/94/11/66/556941166.db2.gz DMUYHFOOWZZRAU-QGOAFFKASA-N 0 1 449.963 4.887 40 10 IJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)c1 ZINC000409072321 556946046 /nfs/dbraw/zinc/94/60/46/556946046.db2.gz BSAYJXLUILJIRP-QGOAFFKASA-N 0 1 449.963 4.887 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000409146763 556977444 /nfs/dbraw/zinc/97/74/44/556977444.db2.gz ULXQWRWHENDUNS-CIAFOILYSA-N 0 1 447.922 4.718 40 10 IJCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)NC1=S ZINC000409174072 556984825 /nfs/dbraw/zinc/98/48/25/556984825.db2.gz RKTQVTQADZTANZ-XDJHFCHBSA-N 0 1 446.553 4.678 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccccc1 ZINC000409236632 557018636 /nfs/dbraw/zinc/01/86/36/557018636.db2.gz SKXWBPUMIZWQCZ-STZFKDTASA-N 0 1 429.545 4.542 40 10 IJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1C ZINC000409230755 557022295 /nfs/dbraw/zinc/02/22/95/557022295.db2.gz GCRSVRKUOKMHNT-QGOAFFKASA-N 0 1 435.936 4.579 40 10 IJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c1 ZINC000409250779 557031395 /nfs/dbraw/zinc/03/13/95/557031395.db2.gz SDMNOZTUBIEIDQ-XDHOZWIPSA-N 0 1 449.963 4.887 40 10 IJCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(OCC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000409349831 557077829 /nfs/dbraw/zinc/07/78/29/557077829.db2.gz QZQRGMYJRBHLRW-BOPFTXTBSA-N 0 1 446.506 4.504 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 ZINC000208451752 557087948 /nfs/dbraw/zinc/08/79/48/557087948.db2.gz JNSXJKDVYCUHBE-FYJGNVAPSA-N 0 1 445.588 4.766 40 10 IJCBMN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 ZINC000103919901 557141072 /nfs/dbraw/zinc/14/10/72/557141072.db2.gz RSJGEIUPXRKCEN-ODLFYWEKSA-N 0 1 436.270 4.784 40 10 IJCBMN Cc1ccc(SCc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)cc1 ZINC000218212790 557182435 /nfs/dbraw/zinc/18/24/35/557182435.db2.gz CJSIXHVRGDBKET-UHFFFAOYSA-N 0 1 445.632 4.969 40 10 IJCBMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000013575905 557348735 /nfs/dbraw/zinc/34/87/35/557348735.db2.gz LXQIUYVRXQMKJS-ODLFYWEKSA-N 0 1 427.291 4.999 40 10 IJCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000059109524 557820503 /nfs/dbraw/zinc/82/05/03/557820503.db2.gz QVXQDLBOCDJDLG-HYARGMPZSA-N 0 1 445.494 4.828 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000107586138 569250555 /nfs/dbraw/zinc/25/05/55/569250555.db2.gz ORUNHZILUWSYHX-HYARGMPZSA-N 0 1 445.519 4.647 40 10 IJCBMN CC[C@H](C)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408550512 555865064 /nfs/dbraw/zinc/86/50/64/555865064.db2.gz HLVCATIIHWYKRB-IEMQHYRPSA-N 0 1 431.920 4.736 40 10 IJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc2ccccc2c1 ZINC000408694261 556096205 /nfs/dbraw/zinc/09/62/05/556096205.db2.gz HVAIXCAMLBUMNV-XQNSMLJCSA-N 0 1 440.499 4.823 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740018 556211735 /nfs/dbraw/zinc/21/17/35/556211735.db2.gz HQLOFURFMSQAPU-OEAKJJBVSA-N 0 1 443.572 4.851 40 10 IJCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000083309572 556663476 /nfs/dbraw/zinc/66/34/76/556663476.db2.gz XIVFOQXHOHFRRE-OQLLNIDSSA-N 0 1 441.783 4.604 40 10 IJCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc(C(F)(F)F)c1 ZINC000408848875 556870342 /nfs/dbraw/zinc/87/03/42/556870342.db2.gz WRJSBPSDAOWEBH-DHZHZOJOSA-N 0 1 445.249 4.844 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000408919273 556891753 /nfs/dbraw/zinc/89/17/53/556891753.db2.gz VSMICTDHGRXCKQ-BKUYFWCQSA-N 0 1 447.535 4.681 40 10 IJCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1C ZINC000408967766 556903631 /nfs/dbraw/zinc/90/36/31/556903631.db2.gz RZLNTEGGAIPEKA-PXLXIMEGSA-N 0 1 443.572 4.796 40 10 IJCBMN C=C1N=C(SCc2ccc(OC)cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408988626 556910916 /nfs/dbraw/zinc/91/09/16/556910916.db2.gz IPHAWMGQZUWTJM-QFIPXVFZSA-N 0 1 439.581 4.532 40 10 IJCBMN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409101011 556955541 /nfs/dbraw/zinc/95/55/41/556955541.db2.gz WMAAGHCDCGIPJH-GHRIWEEISA-N 0 1 435.936 4.579 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)c(C)c1 ZINC000409135307 556969162 /nfs/dbraw/zinc/96/91/62/556969162.db2.gz UHXSHDLULABZJV-MHWRWJLKSA-N 0 1 428.941 4.575 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)c1C ZINC000409146991 556973078 /nfs/dbraw/zinc/97/30/78/556973078.db2.gz UGLXHBVNHQZPCU-MHWRWJLKSA-N 0 1 428.941 4.575 40 10 IJCBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409232543 557024394 /nfs/dbraw/zinc/02/43/94/557024394.db2.gz QVGASPNZGPCAPT-XSFVSMFZSA-N 0 1 430.529 4.687 40 10 IJCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409251837 557037032 /nfs/dbraw/zinc/03/70/32/557037032.db2.gz QKBNTGHIHQQMJN-RCCKNPSSSA-N 0 1 430.554 4.978 40 10 IJCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409406733 557106686 /nfs/dbraw/zinc/10/66/86/557106686.db2.gz KVXQLJGVLWIKQI-STZFKDTASA-N 0 1 448.906 4.779 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000107310448 569250457 /nfs/dbraw/zinc/25/04/57/569250457.db2.gz KAZDTHOMOJDPAY-OEAKJJBVSA-N 0 1 443.572 4.851 40 10 IJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208306809 569261198 /nfs/dbraw/zinc/26/11/98/569261198.db2.gz PSXQOQIWBOHENI-HDAKKWKLSA-N 0 1 447.604 4.938 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1 ZINC000408775622 556848708 /nfs/dbraw/zinc/84/87/08/556848708.db2.gz IPIQLTKBSLAVEZ-HYARGMPZSA-N 0 1 429.545 4.542 40 10 IJCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408854060 556871746 /nfs/dbraw/zinc/87/17/46/556871746.db2.gz WQSSJDCWSPOWCE-GXDHUFHOSA-N 0 1 435.332 4.612 40 10 IJCBMN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)cc1 ZINC000409141596 556972660 /nfs/dbraw/zinc/97/26/60/556972660.db2.gz JDEKQTDRKHBMFC-DEDYPNTBSA-N 0 1 444.512 4.597 40 10 IJCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223577779 557488233 /nfs/dbraw/zinc/48/82/33/557488233.db2.gz FYBZEYXPNRZHIC-JPOGYNCRSA-N 0 1 447.604 4.938 40 10 IJCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000020394616 557519841 /nfs/dbraw/zinc/51/98/41/557519841.db2.gz JGCIKDNVZMNNQZ-OQLLNIDSSA-N 0 1 445.338 4.746 40 10 IJCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C)c1 ZINC000033851012 569259852 /nfs/dbraw/zinc/25/98/52/569259852.db2.gz HJXPBPDSXWAMBU-BKUYFWCQSA-N 0 1 448.906 4.697 40 10 IJCBMN CC(C)(C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033851016 569259919 /nfs/dbraw/zinc/25/99/19/569259919.db2.gz XJUBGBHZDLZVJW-GDNBJRDFSA-N 0 1 449.732 4.741 40 10 IJCBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000408531032 555728987 /nfs/dbraw/zinc/72/89/87/555728987.db2.gz KFKPGQYOCVYBDU-GDNBJRDFSA-N 0 1 429.274 4.693 40 10 IJCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000408763911 556829239 /nfs/dbraw/zinc/82/92/39/556829239.db2.gz QABBEOQOQIHYRF-HZHRSRAPSA-N 0 1 443.572 4.796 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000408816695 556863983 /nfs/dbraw/zinc/86/39/83/556863983.db2.gz MBECQMRGTNPDOM-XSFVSMFZSA-N 0 1 448.931 4.750 40 10 IJCBMN Cc1cc(C)cc(Cc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408883709 556877532 /nfs/dbraw/zinc/87/75/32/556877532.db2.gz VPCMTVKZOOYHHH-KQWNVCNZSA-N 0 1 426.541 4.726 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1C ZINC000409010766 556917927 /nfs/dbraw/zinc/91/79/27/556917927.db2.gz LBRVLEGHUTVCGW-HYARGMPZSA-N 0 1 443.572 4.851 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409147503 556973366 /nfs/dbraw/zinc/97/33/66/556973366.db2.gz ZOYGQQQVEAMIJM-DEDYPNTBSA-N 0 1 447.922 4.718 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1C ZINC000409238608 557020081 /nfs/dbraw/zinc/02/00/81/557020081.db2.gz BADHBUASPPVSNC-XSFVSMFZSA-N 0 1 429.545 4.542 40 10 IJCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)cc1 ZINC000409244772 557026733 /nfs/dbraw/zinc/02/67/33/557026733.db2.gz IKURKUGUDQDOEU-HMMYKYKNSA-N 0 1 437.565 4.615 40 10 IJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1 ZINC000208193309 557079175 /nfs/dbraw/zinc/07/91/75/557079175.db2.gz YFWBYUOFOLHGCJ-RSZPVBOMSA-N 0 1 447.604 4.857 40 10 IJCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208235602 557079750 /nfs/dbraw/zinc/07/97/50/557079750.db2.gz KOOKOIYGOANTKC-UOEVCUDDSA-N 0 1 433.577 4.548 40 10 IJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208313008 569261162 /nfs/dbraw/zinc/26/11/62/569261162.db2.gz AGRNRLCNHZHILJ-AQRZYSDFSA-N 0 1 447.604 4.938 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408755672 556238288 /nfs/dbraw/zinc/23/82/88/556238288.db2.gz SBGABPURJOJRGS-OEAKJJBVSA-N 0 1 443.572 4.851 40 10 IJCBMN Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1C ZINC000408876591 556876640 /nfs/dbraw/zinc/87/66/40/556876640.db2.gz QIINJDARFHUOPQ-HAHDFKILSA-N 0 1 442.540 4.714 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408935471 556895549 /nfs/dbraw/zinc/89/55/49/556895549.db2.gz HGKUPSRIJNSIIF-KGENOOAVSA-N 0 1 448.931 4.750 40 10 IJCBMN C=C1N=C(SCc2ccc(OC)cc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408988624 556910870 /nfs/dbraw/zinc/91/08/70/556910870.db2.gz IPHAWMGQZUWTJM-JOCHJYFZSA-N 0 1 439.581 4.532 40 10 IJCBMN Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 ZINC000409015770 556921202 /nfs/dbraw/zinc/92/12/02/556921202.db2.gz FMBJGFYNONOUPP-WOJGMQOQSA-N 0 1 440.883 4.879 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1Cl ZINC000409221286 557016873 /nfs/dbraw/zinc/01/68/73/557016873.db2.gz NZDPBNASRSNRKC-QGOAFFKASA-N 0 1 449.963 4.887 40 10 IJCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Cl ZINC000409248154 557029283 /nfs/dbraw/zinc/02/92/83/557029283.db2.gz GJHXAZDWOVDZQT-QAEAHILHSA-N 0 1 442.968 4.965 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1C ZINC000208196305 557078998 /nfs/dbraw/zinc/07/89/98/557078998.db2.gz TWABGCFLZNSPMJ-RBYWHNRPSA-N 0 1 447.604 4.857 40 10 IJCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)C(=O)NC1=S ZINC000208444754 557087448 /nfs/dbraw/zinc/08/74/48/557087448.db2.gz QIBYKVQTEGGGSH-XSFVSMFZSA-N 0 1 445.588 4.712 40 10 IJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208502347 557093235 /nfs/dbraw/zinc/09/32/35/557093235.db2.gz NSCKPDYYGATXKZ-KGENOOAVSA-N 0 1 445.588 4.848 40 10 IJCBMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000014400371 557445894 /nfs/dbraw/zinc/44/58/94/557445894.db2.gz PRFWXSULPOZGAE-UHFFFAOYSA-N 0 1 430.869 4.588 40 10 IJCBMN COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000059104688 557814332 /nfs/dbraw/zinc/81/43/32/557814332.db2.gz QEVIMBUHQLINHC-CPNJWEJPSA-N 0 1 437.908 4.811 40 10 IJCBMN CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000059136022 557815544 /nfs/dbraw/zinc/81/55/44/557815544.db2.gz XDHIGLWFFBLQKA-FMIVXFBMSA-N 0 1 449.301 4.659 40 10 IJCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000059109272 557820453 /nfs/dbraw/zinc/82/04/53/557820453.db2.gz WPZAOCOGWXQGQT-SCWSXOCZSA-N 0 1 437.565 4.572 40 10 IJCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000059109273 557820500 /nfs/dbraw/zinc/82/05/00/557820500.db2.gz WPZAOCOGWXQGQT-CNJGYECJSA-N 0 1 437.565 4.572 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000033563121 569259281 /nfs/dbraw/zinc/25/92/81/569259281.db2.gz FMKXBULJPDMNQJ-ATVHPVEESA-N 0 1 426.303 4.862 40 10 IJCBMN CCN(CC)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101099631 556726515 /nfs/dbraw/zinc/72/65/15/556726515.db2.gz FFNZMDGAQTWRCW-SDHOMARFSA-N 0 1 441.531 4.584 40 10 IJCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000408763081 556829221 /nfs/dbraw/zinc/82/92/21/556829221.db2.gz NKVQTRWQQBOBQX-SFQUDFHCSA-N 0 1 440.933 4.916 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000408894732 556880393 /nfs/dbraw/zinc/88/03/93/556880393.db2.gz JAYCEIKEZDPHTP-ZHZULCJRSA-N 0 1 448.931 4.750 40 10 IJCBMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409228258 557014895 /nfs/dbraw/zinc/01/48/95/557014895.db2.gz WMBAWEUOKGAGLR-MPMPPSQCSA-N 0 1 428.941 4.657 40 10 IJCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Cl ZINC000409237862 557019412 /nfs/dbraw/zinc/01/94/12/557019412.db2.gz JFHSDKFYWWSXAO-DSQDWWTGSA-N 0 1 428.941 4.657 40 10 IJCBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409239420 557020725 /nfs/dbraw/zinc/02/07/25/557020725.db2.gz NHNMUJRUZQRIPW-STZFKDTASA-N 0 1 430.529 4.803 40 10 IJCBMN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409234253 557025595 /nfs/dbraw/zinc/02/55/95/557025595.db2.gz JPKNFTLODBRQKQ-PDGQHHTCSA-N 0 1 428.941 4.693 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000409245098 557027035 /nfs/dbraw/zinc/02/70/35/557027035.db2.gz NJCNVDKQLBZNMA-FOWTUZBSSA-N 0 1 442.327 4.615 40 10 IJCBMN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409251670 557037036 /nfs/dbraw/zinc/03/70/36/557037036.db2.gz VNTCKRFYKLMQGJ-RCCKNPSSSA-N 0 1 429.545 4.740 40 10 IJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1 ZINC000208193269 557079055 /nfs/dbraw/zinc/07/90/55/557079055.db2.gz YFWBYUOFOLHGCJ-VYVDHXHBSA-N 0 1 447.604 4.857 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1 ZINC000208196591 557079193 /nfs/dbraw/zinc/07/91/93/557079193.db2.gz XNBQLGQUUQHCFF-UOEVCUDDSA-N 0 1 433.577 4.548 40 10 IJCBMN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 ZINC000103919897 557141156 /nfs/dbraw/zinc/14/11/56/557141156.db2.gz UIVIODMCUGFPNG-NDENLUEZSA-N 0 1 448.306 4.654 40 10 IJCBMN CCOc1cc(Cl)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000059139138 557816747 /nfs/dbraw/zinc/81/67/47/557816747.db2.gz RFVJDMITVAZIKT-XYOKQWHBSA-N 0 1 434.876 4.558 40 10 IJCBMN CCc1nnc(N=Cc2c(C)[nH]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)s1 ZINC000408533963 569584898 /nfs/dbraw/zinc/58/48/98/569584898.db2.gz UFGZGDHDNIMYPM-STZFKDTASA-N 0 1 447.608 5.287 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002220740 132249221 /nfs/dbraw/zinc/24/92/21/132249221.db2.gz IWOXVUNJHJVIJR-FYJGNVAPSA-N 0 1 449.963 4.887 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408752640 556236356 /nfs/dbraw/zinc/23/63/56/556236356.db2.gz IXPINSPJEOCMRZ-HYARGMPZSA-N 0 1 443.572 4.851 40 10 IJCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000408756787 556236401 /nfs/dbraw/zinc/23/64/01/556236401.db2.gz UMHXZIPLWINHDU-SFQUDFHCSA-N 0 1 440.933 4.916 40 10 IJCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000083309014 556663179 /nfs/dbraw/zinc/66/31/79/556663179.db2.gz JHLYRFPDPJBNDT-OQLLNIDSSA-N 0 1 441.783 4.604 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000408865898 556873315 /nfs/dbraw/zinc/87/33/15/556873315.db2.gz DOGRWRJEUMNALD-ZHZULCJRSA-N 0 1 448.931 4.750 40 10 IJCBMN Cc1ccc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C ZINC000408884792 556877770 /nfs/dbraw/zinc/87/77/70/556877770.db2.gz ZRDGSVYVALTKMY-JCMHNJIXSA-N 0 1 442.540 4.714 40 10 IJCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C ZINC000408968190 556903499 /nfs/dbraw/zinc/90/34/99/556903499.db2.gz URADXDMVJAGJKJ-RCCKNPSSSA-N 0 1 443.572 4.796 40 10 IJCBMN CC(C)(C)c1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC000408986271 556909575 /nfs/dbraw/zinc/90/95/75/556909575.db2.gz PHMWVESRVCGAIA-SFQUDFHCSA-N 0 1 436.577 4.819 40 10 IJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc12 ZINC000409147176 556973114 /nfs/dbraw/zinc/97/31/14/556973114.db2.gz VKPYCYOVYDVJDD-XSFVSMFZSA-N 0 1 430.529 4.687 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409195675 556993951 /nfs/dbraw/zinc/99/39/51/556993951.db2.gz JXYLJCXDXANTRH-WJDWOHSUSA-N 0 1 446.334 4.805 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 ZINC000208236679 557079865 /nfs/dbraw/zinc/07/98/65/557079865.db2.gz WRXGSWBUPAFIMF-RSZPVBOMSA-N 0 1 447.604 4.857 40 10 IJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2C(C)=CC1(C)C ZINC000208506286 557093140 /nfs/dbraw/zinc/09/31/40/557093140.db2.gz UWFOZOZHIBTQMA-XSFVSMFZSA-N 0 1 431.561 4.540 40 10 IJCBMN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 ZINC000009193248 569294228 /nfs/dbraw/zinc/29/42/28/569294228.db2.gz KODLOXSWABVBCR-PKXQUSJVSA-N 0 1 449.639 4.517 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408692551 556095888 /nfs/dbraw/zinc/09/58/88/556095888.db2.gz PAQBBWMVXRSHOI-LICLKQGHSA-N 0 1 446.334 4.805 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408755917 556238736 /nfs/dbraw/zinc/23/87/36/556238736.db2.gz NUUSKBBUWTUYMN-CIAFOILYSA-N 0 1 449.963 4.887 40 10 IJCBMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc3ccccc32)C1=O ZINC000016227876 556593275 /nfs/dbraw/zinc/59/32/75/556593275.db2.gz JCOTYBXPVXDFNK-RCCKNPSSSA-N 0 1 438.508 4.833 40 10 IJCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000408858676 556871443 /nfs/dbraw/zinc/87/14/43/556871443.db2.gz 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569259376 /nfs/dbraw/zinc/25/93/76/569259376.db2.gz JGISEIPJEXZYSN-PTNGSMBKSA-N 0 1 443.684 4.824 40 10 IJCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S ZINC000009263202 132311682 /nfs/dbraw/zinc/31/16/82/132311682.db2.gz CKZGJPQQMQWMKZ-WJDWOHSUSA-N 0 1 440.883 4.879 40 10 IJCBMN CCCCc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408551209 555859006 /nfs/dbraw/zinc/85/90/06/555859006.db2.gz MKMQUWCDMKPNID-VBKFSLOCSA-N 0 1 431.920 4.565 40 10 IJCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 ZINC000408692656 556096209 /nfs/dbraw/zinc/09/62/09/556096209.db2.gz RTFPTUYDCYYXDD-XQNSMLJCSA-N 0 1 433.552 4.841 40 10 IJCBMN Cc1ccc(S(=O)(=O)Nc2c(C)c(Br)c(O)c(Br)c2C)cc1 ZINC000016779910 556641339 /nfs/dbraw/zinc/64/13/39/556641339.db2.gz GXMJYURUAFSGKY-UHFFFAOYSA-N 0 1 449.164 4.643 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408766996 556829928 /nfs/dbraw/zinc/82/99/28/556829928.db2.gz URLOYVWZXGQFIX-OEAKJJBVSA-N 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ZINC000409099686 556954607 /nfs/dbraw/zinc/95/46/07/556954607.db2.gz SAMLBMSDDILCSM-VLURKWGBSA-N 0 1 428.941 4.657 40 10 IJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1C ZINC000409105753 556958550 /nfs/dbraw/zinc/95/85/50/556958550.db2.gz JINDZWNCYLOMAC-CPNJWEJPSA-N 0 1 449.963 4.887 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1 ZINC000208196552 557079204 /nfs/dbraw/zinc/07/92/04/557079204.db2.gz XNBQLGQUUQHCFF-RBYWHNRPSA-N 0 1 433.577 4.548 40 10 IJCBMN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 ZINC000223482777 557477491 /nfs/dbraw/zinc/47/74/91/557477491.db2.gz HAXHIYGJJAGFLN-KGENOOAVSA-N 0 1 445.588 4.928 40 10 IJCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 ZINC000408758940 556681586 /nfs/dbraw/zinc/68/15/86/556681586.db2.gz VDCUYCIMECVITM-HZHRSRAPSA-N 0 1 443.572 4.796 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c1C ZINC000409018856 556921208 /nfs/dbraw/zinc/92/12/08/556921208.db2.gz ZNXYTKWCHNNCNF-XDHOZWIPSA-N 0 1 449.963 4.887 40 10 IJCBMN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409103781 556952526 /nfs/dbraw/zinc/95/25/26/556952526.db2.gz YQUIHULSPJYVMZ-UVTDQMKNSA-N 0 1 435.332 4.532 40 10 IJCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409221111 557016560 /nfs/dbraw/zinc/01/65/60/557016560.db2.gz LAPNRSRSFZFFEO-FHXOWUIVSA-N 0 1 448.466 4.714 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccc1 ZINC000409236027 557018280 /nfs/dbraw/zinc/01/82/80/557018280.db2.gz FBGCVBAXTMAXEM-AQTBWJFISA-N 0 1 435.936 4.579 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409231471 557023245 /nfs/dbraw/zinc/02/32/45/557023245.db2.gz JGKSZXZGGVEFNX-FYJGNVAPSA-N 0 1 447.535 4.681 40 10 IJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)c1 ZINC000409234585 557025884 /nfs/dbraw/zinc/02/58/84/557025884.db2.gz 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MXVNBCWNQCNWRR-YBEGLDIGSA-N 0 1 429.274 4.693 40 10 IJCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000408532522 555743526 /nfs/dbraw/zinc/74/35/26/555743526.db2.gz MXVNBCWNQCNWRR-YBEGLDIGSA-N 0 1 429.274 4.693 40 10 IJCBMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C ZINC000408603806 555973093 /nfs/dbraw/zinc/97/30/93/555973093.db2.gz HDAJWCPKXQQAEK-UHFFFAOYSA-N 0 1 442.924 4.639 40 10 IJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409015613 556920656 /nfs/dbraw/zinc/92/06/56/556920656.db2.gz RQFWRMVAWUMCHD-CRRKTRLDSA-N 0 1 442.968 4.911 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409022933 556922982 /nfs/dbraw/zinc/92/29/82/556922982.db2.gz IIPCOGVRDZWULG-CIAFOILYSA-N 0 1 447.535 4.681 40 10 IJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409094236 556949742 /nfs/dbraw/zinc/94/97/42/556949742.db2.gz CLNPDRHRXYVXHO-QGOAFFKASA-N 0 1 435.936 4.579 40 10 IJCBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409125812 556965176 /nfs/dbraw/zinc/96/51/76/556965176.db2.gz FIMXCYJJJVCATF-XSFVSMFZSA-N 0 1 430.529 4.687 40 10 IJCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Cl ZINC000409237865 557019480 /nfs/dbraw/zinc/01/94/80/557019480.db2.gz JFHSDKFYWWSXAO-LUYJPIOASA-N 0 1 428.941 4.657 40 10 IJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)C(=O)NC2=S)cc1 ZINC000409376414 557087885 /nfs/dbraw/zinc/08/78/85/557087885.db2.gz XYOYPIMZCLJZFL-CJLVFECKSA-N 0 1 442.540 4.659 40 10 IJCBMN CN1CCN(c2ccc(CNC(=O)c3ccccc3SCc3ccccc3)cc2)CC1 ZINC000218610396 557210105 /nfs/dbraw/zinc/21/01/05/557210105.db2.gz AMJXGPCARVNQQO-UHFFFAOYSA-N 0 1 431.605 4.661 40 10 IJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O ZINC000059087281 557813758 /nfs/dbraw/zinc/81/37/58/557813758.db2.gz CPEREHZYVADTGZ-XNTDXEJSSA-N 0 1 425.847 4.804 40 10 IJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O ZINC000059109649 557820670 /nfs/dbraw/zinc/82/06/70/557820670.db2.gz QMBWDNNCTDPOMO-RCCKNPSSSA-N 0 1 431.492 4.741 40 10 IJCBMN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccccc2)cc1 ZINC000002199309 556056868 /nfs/dbraw/zinc/05/68/68/556056868.db2.gz JLTGEHTYNHUIRG-URORMMCBSA-N 0 1 435.612 4.840 40 10 IJCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(C(C)C)cc2)C(=O)NC1=S ZINC000408739885 556211279 /nfs/dbraw/zinc/21/12/79/556211279.db2.gz BKLFGVKODGVKMO-GZTJUZNOSA-N 0 1 443.366 4.712 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408755784 556238711 /nfs/dbraw/zinc/23/87/11/556238711.db2.gz MYZJCUXKUYQHFC-CIAFOILYSA-N 0 1 449.963 4.887 40 10 IJCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000408858958 556873100 /nfs/dbraw/zinc/87/31/00/556873100.db2.gz URNJQZRLIXXDBF-LFIBNONCSA-N 0 1 442.327 4.615 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000408867933 556873942 /nfs/dbraw/zinc/87/39/42/556873942.db2.gz LQVGNVWLKAVRPE-STZFKDTASA-N 0 1 448.931 4.750 40 10 IJCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C ZINC000409018951 556923751 /nfs/dbraw/zinc/92/37/51/556923751.db2.gz XPYGESLMWLGNDE-FYJGNVAPSA-N 0 1 447.535 4.627 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)NC2=S)c(C)c1 ZINC000409132967 556967967 /nfs/dbraw/zinc/96/79/67/556967967.db2.gz PRXQPKPRRDAAIF-XSFVSMFZSA-N 0 1 429.545 4.542 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C(C)(C)C ZINC000409221683 557017182 /nfs/dbraw/zinc/01/71/82/557017182.db2.gz USNNPYIJCYUTSY-LICLKQGHSA-N 0 1 429.973 4.653 40 10 IJCBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1C(C)C ZINC000409236994 557018866 /nfs/dbraw/zinc/01/88/66/557018866.db2.gz UHSJUIUOUFXGNE-LFIBNONCSA-N 0 1 428.941 4.612 40 10 IJCBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409230718 557022270 /nfs/dbraw/zinc/02/22/70/557022270.db2.gz FRVFTDQFIZNUCC-PDGQHHTCSA-N 0 1 436.920 4.642 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(C)c1 ZINC000409230518 557022386 /nfs/dbraw/zinc/02/23/86/557022386.db2.gz FAOIXAKPZQPMBV-CPNJWEJPSA-N 0 1 449.963 4.887 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409244794 557026766 /nfs/dbraw/zinc/02/67/66/557026766.db2.gz IWGJASVEOPSJKI-HMAPJEAMSA-N 0 1 443.572 4.851 40 10 IJCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3C)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208234416 557079856 /nfs/dbraw/zinc/07/98/56/557079856.db2.gz SNRCAQNDMQOKQM-NNIWKIFQSA-N 0 1 447.604 4.857 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)NC2=S)cc1C ZINC000208444385 557087137 /nfs/dbraw/zinc/08/71/37/557087137.db2.gz UHUFGUHZYADIRE-FYJGNVAPSA-N 0 1 445.588 4.766 40 10 IJCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3F)C1=O)C(C)=CC(C)(C)N2C ZINC000208451706 557087942 /nfs/dbraw/zinc/08/79/42/557087942.db2.gz QYETWLYFAPETPG-LDADJPATSA-N 0 1 449.551 4.597 40 10 IJCBMN Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1 ZINC000260565319 557285957 /nfs/dbraw/zinc/28/59/57/557285957.db2.gz HZVDJSMNYLZGNO-VYVDHXHBSA-N 0 1 447.604 4.857 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408604631 555974985 /nfs/dbraw/zinc/97/49/85/555974985.db2.gz VTXYFYPRDILSPI-PTNGSMBKSA-N 0 1 426.856 4.570 40 10 IJCBMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000032189249 556537130 /nfs/dbraw/zinc/53/71/30/556537130.db2.gz QTROOORHKZZBKO-GXDHUFHOSA-N 0 1 444.343 4.799 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408876879 556876833 /nfs/dbraw/zinc/87/68/33/556876833.db2.gz QUMNRDSXWKGIDC-UYRXBGFRSA-N 0 1 448.931 4.750 40 10 IJCBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000409098150 556953705 /nfs/dbraw/zinc/95/37/05/556953705.db2.gz NMHQBMVVELLJRJ-QGOAFFKASA-N 0 1 435.936 4.579 40 10 IJCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409198666 556995807 /nfs/dbraw/zinc/99/58/07/556995807.db2.gz JHXCCDXPDLEQKX-JCMHNJIXSA-N 0 1 427.504 4.652 40 10 IJCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccccc2Sc2ccccc2)C(=O)NC1=S ZINC000409226410 557014401 /nfs/dbraw/zinc/01/44/01/557014401.db2.gz NRHGEBRKMYEALP-CYVLTUHYSA-N 0 1 430.554 4.978 40 10 IJCBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409240976 557021929 /nfs/dbraw/zinc/02/19/29/557021929.db2.gz MMQIXHJMCTTXSO-VVBXCHJUSA-N 0 1 448.466 4.714 40 10 IJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 ZINC000409232657 557024476 /nfs/dbraw/zinc/02/44/76/557024476.db2.gz AZHOAGJEIKOZED-XDHOZWIPSA-N 0 1 449.963 4.887 40 10 IJCBMN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccccc2)cc1 ZINC000005157034 557074651 /nfs/dbraw/zinc/07/46/51/557074651.db2.gz JLTGEHTYNHUIRG-STXQHDJLSA-N 0 1 435.612 4.840 40 10 IJCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C(=O)NC1=S ZINC000208195043 557079113 /nfs/dbraw/zinc/07/91/13/557079113.db2.gz LIUJNPLBQLHKFV-HUCUOGIVSA-N 0 1 433.577 4.548 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)NC2=S)c(C)c1 ZINC000208449562 557087417 /nfs/dbraw/zinc/08/74/17/557087417.db2.gz IGAPSHCLFMGXOE-DEDYPNTBSA-N 0 1 445.588 4.766 40 10 IJCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O ZINC000005947670 557144876 /nfs/dbraw/zinc/14/48/76/557144876.db2.gz XBFVNQXTRGUSAP-LICLKQGHSA-N 0 1 444.329 4.795 40 10 IJCBMN CN1CCN(c2ccc(CNC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1 ZINC000218004319 557175360 /nfs/dbraw/zinc/17/53/60/557175360.db2.gz TWQOZZDIWWDTQJ-UHFFFAOYSA-N 0 1 431.605 4.661 40 10 IJCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000034720979 569260084 /nfs/dbraw/zinc/26/00/84/569260084.db2.gz VUWUGDBACWHISQ-MOSHPQCFSA-N 0 1 448.906 4.779 40 10 IJCBMN CC(C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000033713522 556624773 /nfs/dbraw/zinc/62/47/73/556624773.db2.gz UESCGDMRQAJHMB-JCMHNJIXSA-N 0 1 447.491 4.786 40 10 IJCBMN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000044910660 556680774 /nfs/dbraw/zinc/68/07/74/556680774.db2.gz QNEMIROWUQXNOK-UHFFFAOYSA-N 0 1 426.004 4.859 40 10 IJCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)NC1=S ZINC000408765281 556829670 /nfs/dbraw/zinc/82/96/70/556829670.db2.gz OTCUBYGKPMSBHU-PXLXIMEGSA-N 0 1 443.572 4.796 40 10 IJCBMN Cc1ccc2ccccc2c1COc1ccc2ccccc2c1C=C1C(=O)NC(=O)NC1=O ZINC000408805724 556860835 /nfs/dbraw/zinc/86/08/35/556860835.db2.gz CJXXWVWVAIPSCW-UHFFFAOYSA-N 0 1 436.467 4.630 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1C ZINC000408855135 556871892 /nfs/dbraw/zinc/87/18/92/556871892.db2.gz CJCPSOSOXKMRJN-DEDYPNTBSA-N 0 1 435.936 4.579 40 10 IJCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000408917618 556888871 /nfs/dbraw/zinc/88/88/71/556888871.db2.gz YMTGCXPZWPDFFA-XWCAUFEOSA-N 0 1 448.519 4.988 40 10 IJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc12 ZINC000409014512 556920207 /nfs/dbraw/zinc/92/02/07/556920207.db2.gz PYMIUPHCBXLNMH-KGENOOAVSA-N 0 1 430.529 4.687 40 10 IJCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc12 ZINC000409070402 556944540 /nfs/dbraw/zinc/94/45/40/556944540.db2.gz ZDWGGURINFQQRP-SFQUDFHCSA-N 0 1 436.920 4.642 40 10 IJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1C ZINC000409142436 556967976 /nfs/dbraw/zinc/96/79/76/556967976.db2.gz KJVGAPJWKNRLBO-KGENOOAVSA-N 0 1 429.545 4.542 40 10 IJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccccc1C ZINC000409135212 556968906 /nfs/dbraw/zinc/96/89/06/556968906.db2.gz XQHRDOAUZVMWCI-KGENOOAVSA-N 0 1 443.572 4.851 40 10 IJCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000409227806 557014727 /nfs/dbraw/zinc/01/47/27/557014727.db2.gz RETPIJVIJRHQIO-RVDMUPIBSA-N 0 1 426.856 4.570 40 10 IJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(=O)NC2=S)c1 ZINC000409249253 557029781 /nfs/dbraw/zinc/02/97/81/557029781.db2.gz SSUHYKLNNDXJFQ-KGENOOAVSA-N 0 1 429.545 4.542 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)c(C)c1 ZINC000208195816 557078947 /nfs/dbraw/zinc/07/89/47/557078947.db2.gz KSMCQQVTLMWHGH-NNIWKIFQSA-N 0 1 447.604 4.857 40 10 IJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 ZINC000208195904 557079185 /nfs/dbraw/zinc/07/91/85/557079185.db2.gz RLFBUVNBVBNYTR-UOEVCUDDSA-N 0 1 433.577 4.548 40 10 IJCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208235561 557079828 /nfs/dbraw/zinc/07/98/28/557079828.db2.gz KOOKOIYGOANTKC-RBYWHNRPSA-N 0 1 433.577 4.548 40 10 IJCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000001264284 568775438 /nfs/dbraw/zinc/77/54/38/568775438.db2.gz GDLDTMODUGFFIH-MHWRWJLKSA-N 0 1 441.237 4.804 40 10 IJCBMN