smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000009189266 132307770 /nfs/dbraw/zinc/30/77/70/132307770.db2.gz NQOUHRMXPOZUQK-PDGQHHTCSA-N 0 0 436.339 4.925 40 10 IJCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=N)S1 ZINC000041083138 519945905 /nfs/dbraw/zinc/94/59/05/519945905.db2.gz OKJCJCYNCIXODC-SQQRRHNYSA-N 0 0 435.347 4.657 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4cccc(C)c4C)cc3)C(=N)N2O1 ZINC000041082699 520852357 /nfs/dbraw/zinc/85/23/57/520852357.db2.gz UXUOHLMWNSUXBW-LLLXPECQSA-N 0 0 431.492 4.602 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(C)c4)c(Cl)c3)C(=N)N2O1 ZINC000041078473 520852831 /nfs/dbraw/zinc/85/28/31/520852831.db2.gz ZEERNJWHZYSFLU-JKGLIZDUSA-N 0 0 437.883 4.557 40 10 IJCBRN N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000041107954 526836893 /nfs/dbraw/zinc/83/68/93/526836893.db2.gz PTDOGEVQIWJLOE-HLLBZCHMSA-N 0 0 434.502 4.832 40 10 IJCBRN CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000408527324 555717589 /nfs/dbraw/zinc/71/75/89/555717589.db2.gz DIDVQBUERLPMBB-KQWNVCNZSA-N 0 0 446.532 4.514 40 10 IJCBRN CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000408571545 555914993 /nfs/dbraw/zinc/91/49/93/555914993.db2.gz BPVQVILSBMTVSQ-MOSHPQCFSA-N 0 0 440.590 4.876 40 10 IJCBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1 ZINC000408572623 555916314 /nfs/dbraw/zinc/91/63/14/555916314.db2.gz HKZINULWPYSZAJ-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c(C)c1 ZINC000408573279 555923375 /nfs/dbraw/zinc/92/33/75/555923375.db2.gz JOUONVHRTUINOJ-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)cc1OC ZINC000408587678 555938238 /nfs/dbraw/zinc/93/82/38/555938238.db2.gz SZUWNKPGAQEAAE-WQRHYEAKSA-N 0 0 441.911 4.933 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408605289 555966183 /nfs/dbraw/zinc/96/61/83/555966183.db2.gz YGKSTYYYGUEUQM-XDHOZWIPSA-N 0 0 449.594 4.560 40 10 IJCBRN CCOc1cc(C=C2SC(Nc3ccccc3Br)=NC2=O)ccc1OC ZINC000008821710 556223705 /nfs/dbraw/zinc/22/37/05/556223705.db2.gz GDWBFPYFDDZOLJ-GZTJUZNOSA-N 0 0 433.327 4.939 40 10 IJCBRN CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S ZINC000008951778 556235651 /nfs/dbraw/zinc/23/56/51/556235651.db2.gz SLXZFONTVKPKBC-XMHGGMMESA-N 0 0 426.563 4.624 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccccc2)cc1 ZINC000408752391 556236120 /nfs/dbraw/zinc/23/61/20/556236120.db2.gz IFWMTANXECJSNL-HAVVHWLPSA-N 0 0 426.472 4.706 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2cccc(C)c2)cc1 ZINC000408757131 556236887 /nfs/dbraw/zinc/23/68/87/556236887.db2.gz XHGYSCAUWDXTFT-PXLXIMEGSA-N 0 0 428.488 4.855 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408756937 556236895 /nfs/dbraw/zinc/23/68/95/556236895.db2.gz YJQDEXKHHXOGPS-HZHRSRAPSA-N 0 0 444.487 4.556 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000032109502 556529963 /nfs/dbraw/zinc/52/99/63/556529963.db2.gz MKSYLGQATTYPFC-PDGQHHTCSA-N 0 0 449.981 4.946 40 10 IJCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000032110000 556530360 /nfs/dbraw/zinc/53/03/60/556530360.db2.gz KRPRMXMMTKUTDS-YBFXNURJSA-N 0 0 444.940 4.733 40 10 IJCBRN CN(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 ZINC000016186318 556587700 /nfs/dbraw/zinc/58/77/00/556587700.db2.gz KOIQIEYNZVEFKP-LICLKQGHSA-N 0 0 432.343 4.621 40 10 IJCBRN COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=S)NCc2ccco2)cc1 ZINC000000884082 556734174 /nfs/dbraw/zinc/73/41/74/556734174.db2.gz FOTRAICFLLCSMR-UHFFFAOYSA-N 0 0 447.560 4.515 40 10 IJCBRN CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)C2c2ccncc2)cc1 ZINC000019326962 556736460 /nfs/dbraw/zinc/73/64/60/556736460.db2.gz MVKKGINNYRQWDO-UHFFFAOYSA-N 0 0 429.612 4.620 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000408765097 556829503 /nfs/dbraw/zinc/82/95/03/556829503.db2.gz WJHPXTMRZFKRAB-XIEYBQDHSA-N 0 0 441.531 4.994 40 10 IJCBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S1 ZINC000408816307 556863688 /nfs/dbraw/zinc/86/36/88/556863688.db2.gz TXDMNSBXMVSWHH-UHFFFAOYSA-N 0 0 447.378 4.595 40 10 IJCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c(C)c1 ZINC000408959602 556899775 /nfs/dbraw/zinc/89/97/75/556899775.db2.gz BTTRBGKWBUEEIH-STZFKDTASA-N 0 0 435.549 4.579 40 10 IJCBRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2Cc2ccc(N3CCCC3)cc2)nc1C ZINC000019765541 556910332 /nfs/dbraw/zinc/91/03/32/556910332.db2.gz WNSQXDIPWFKOGH-XMMPIXPASA-N 0 0 435.616 4.594 40 10 IJCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 ZINC000409002352 556914840 /nfs/dbraw/zinc/91/48/40/556914840.db2.gz TZRFITNLGMTYJK-BUVRLJJBSA-N 0 0 442.519 4.531 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)cc1 ZINC000409022704 556923016 /nfs/dbraw/zinc/92/30/16/556923016.db2.gz PVLQFMRXVWJZLH-UNOMPAQXSA-N 0 0 431.410 4.981 40 10 IJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000409037073 556928757 /nfs/dbraw/zinc/92/87/57/556928757.db2.gz SHEPZWVHXYDNNI-WEVVVXLNSA-N 0 0 431.704 4.750 40 10 IJCBRN CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(OCC)c1 ZINC000409037731 556928980 /nfs/dbraw/zinc/92/89/80/556928980.db2.gz YSUKPKOHXJYEMX-MDWZMJQESA-N 0 0 440.368 4.986 40 10 IJCBRN CCc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1 ZINC000409052060 556933375 /nfs/dbraw/zinc/93/33/75/556933375.db2.gz GEIABLNQANZPHT-UNOMPAQXSA-N 0 0 426.310 4.889 40 10 IJCBRN CCCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)NC1=S ZINC000409088295 556951140 /nfs/dbraw/zinc/95/11/40/556951140.db2.gz WRJNDZXWXBZRCI-BOPFTXTBSA-N 0 0 449.345 4.635 40 10 IJCBRN O=C(NC1=NC(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)S1)c1ccccc1 ZINC000409131978 556963688 /nfs/dbraw/zinc/96/36/88/556963688.db2.gz ZKZOIBRYUDRWBA-STZFKDTASA-N 0 0 432.476 4.805 40 10 IJCBRN O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 ZINC000409148225 556973642 /nfs/dbraw/zinc/97/36/42/556973642.db2.gz XWABDIBEDQWNDG-SOFYXZRVSA-N 0 0 430.352 4.727 40 10 IJCBRN O=C1[C@@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1Cc1cccnc1 ZINC000409149498 556974322 /nfs/dbraw/zinc/97/43/22/556974322.db2.gz IDDPEVIKZLXYGK-OAQYLSRUSA-N 0 0 438.549 4.771 40 10 IJCBRN O=C1[C@@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccco1 ZINC000409143800 556975683 /nfs/dbraw/zinc/97/56/83/556975683.db2.gz IBCHQSJKXCIVFW-HXUWFJFHSA-N 0 0 427.522 4.969 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409144361 556976076 /nfs/dbraw/zinc/97/60/76/556976076.db2.gz YACCHAPCWSCITA-GZTJUZNOSA-N 0 0 432.954 4.593 40 10 IJCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c(Cl)c1 ZINC000409144962 556976474 /nfs/dbraw/zinc/97/64/74/556976474.db2.gz LXWMLUUPMGGYTC-RQZCQDPDSA-N 0 0 427.938 4.676 40 10 IJCBRN O=C(NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)S1)c1ccccc1 ZINC000409146609 556977427 /nfs/dbraw/zinc/97/74/27/556977427.db2.gz UBZWXTYVUIMROM-STZFKDTASA-N 0 0 432.476 4.805 40 10 IJCBRN CCN1c2ccccc2/C(=C\c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C1=O ZINC000409193103 556992703 /nfs/dbraw/zinc/99/27/03/556992703.db2.gz BQYZJZQGOFESML-LKZQPVPRSA-N 0 0 427.548 4.949 40 10 IJCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409216579 557011402 /nfs/dbraw/zinc/01/14/02/557011402.db2.gz MKOWDZOUKPYTKU-DEDYPNTBSA-N 0 0 444.447 4.987 40 10 IJCBRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409242636 557032640 /nfs/dbraw/zinc/03/26/40/557032640.db2.gz RWJHSKLZOYLQIU-QNGOZBTKSA-N 0 0 433.533 4.913 40 10 IJCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1 ZINC000409330775 557064962 /nfs/dbraw/zinc/06/49/62/557064962.db2.gz LYPWOCGLKBTBJC-WQRHYEAKSA-N 0 0 445.587 4.756 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000409347372 557075524 /nfs/dbraw/zinc/07/55/24/557075524.db2.gz PNZRAOGYPFMPOP-WQRHYEAKSA-N 0 0 430.507 4.798 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000409349401 557077494 /nfs/dbraw/zinc/07/74/94/557077494.db2.gz PQHPKSCLQDSGIJ-VCHYOVAHSA-N 0 0 430.507 4.796 40 10 IJCBRN CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)SC1=S ZINC000409355094 557081357 /nfs/dbraw/zinc/08/13/57/557081357.db2.gz BMSYHAJUKMZVEM-DEDYPNTBSA-N 0 0 440.590 4.932 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)SC1=S ZINC000409378457 557093952 /nfs/dbraw/zinc/09/39/52/557093952.db2.gz PKTUMKZFEDTZQB-WQRHYEAKSA-N 0 0 446.981 4.887 40 10 IJCBRN O=C1C(=Cc2ccc(Br)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000040846752 557232311 /nfs/dbraw/zinc/23/23/11/557232311.db2.gz NQLINPAFSXWDOL-UHFFFAOYSA-N 0 0 437.249 4.626 40 10 IJCBRN CC(NCc1ccc(F)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112289126 557238518 /nfs/dbraw/zinc/23/85/18/557238518.db2.gz CDSIYTAAHKWRTA-JWGURIENSA-N 0 0 430.439 4.549 40 10 IJCBRN COc1ccc(CNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000112296422 557240103 /nfs/dbraw/zinc/24/01/03/557240103.db2.gz GJXPWOLAHKHXHS-ULJHMMPZSA-N 0 0 445.494 4.658 40 10 IJCBRN CC(=O)[C@@H](N=Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C)cc1C ZINC000104096248 557320428 /nfs/dbraw/zinc/32/04/28/557320428.db2.gz JIEHDYTVRRRIEM-CVRGYLICSA-N 0 0 439.471 4.759 40 10 IJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 ZINC000222677680 557372494 /nfs/dbraw/zinc/37/24/94/557372494.db2.gz RVVKQOJVLKTLKU-ZGNKEGEESA-N 0 0 438.597 4.678 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222834837 557391631 /nfs/dbraw/zinc/39/16/31/557391631.db2.gz OHAFFYZKXIAQQR-DHIUTWEWSA-N 0 0 434.565 4.599 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000222900170 557400446 /nfs/dbraw/zinc/40/04/46/557400446.db2.gz SGMHEKWLROTLOL-DHIUTWEWSA-N 0 0 448.592 4.658 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223013243 557415387 /nfs/dbraw/zinc/41/53/87/557415387.db2.gz NQTMSXXSBDDHOI-RPWUZVMVSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000223053104 557422090 /nfs/dbraw/zinc/42/20/90/557422090.db2.gz SZZBQGQKVTUKTK-XZOQPEGZSA-N 0 0 438.572 4.637 40 10 IJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000014414970 557445940 /nfs/dbraw/zinc/44/59/40/557445940.db2.gz HFKDFUSAUJGFII-HKWRFOASSA-N 0 0 440.337 4.755 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000223523157 557481968 /nfs/dbraw/zinc/48/19/68/557481968.db2.gz KVNYZBJQIUZQNI-VQGSWFTOSA-N 0 0 434.945 4.570 40 10 IJCBRN CCN1C(=O)C(=Cc2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C(=O)N(CC)C1=S ZINC000223612432 557491821 /nfs/dbraw/zinc/49/18/21/557491821.db2.gz JKLYDECJQATTSO-KRWDZBQOSA-N 0 0 441.641 4.875 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000260573473 557492806 /nfs/dbraw/zinc/49/28/06/557492806.db2.gz YSIJGUAJEJFYKL-UALMWKMKSA-N 0 0 430.570 4.705 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1 ZINC000059230220 557818962 /nfs/dbraw/zinc/81/89/62/557818962.db2.gz CHBYUBORWGNNQR-UDWIEESQSA-N 0 0 432.863 4.912 40 10 IJCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(C)C)cc3)SC2=S)c(Cl)c1 ZINC000409144469 568620600 /nfs/dbraw/zinc/62/06/00/568620600.db2.gz YQPTZIQHNVVTDR-WQRHYEAKSA-N 0 0 446.981 4.982 40 10 IJCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NC2CCCCC2)cc1 ZINC000017098853 568624279 /nfs/dbraw/zinc/62/42/79/568624279.db2.gz LRSCGPQPISOJMK-JWGURIENSA-N 0 0 434.496 4.551 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)SC2=S)cc1 ZINC000001188892 568736337 /nfs/dbraw/zinc/73/63/37/568736337.db2.gz XPKDWAOEGWISRS-YBEGLDIGSA-N 0 0 436.352 4.872 40 10 IJCBRN CCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000001277089 568775726 /nfs/dbraw/zinc/77/57/26/568775726.db2.gz YDRVLDMFQAQHJJ-WQRHYEAKSA-N 0 0 447.965 4.683 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000001276953 568775776 /nfs/dbraw/zinc/77/57/76/568775776.db2.gz OFQAEYCVUHQPGH-FHNWIRHTSA-N 0 0 447.965 4.682 40 10 IJCBRN COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 ZINC000027614738 568785087 /nfs/dbraw/zinc/78/50/87/568785087.db2.gz RPJQARPFCSHJQP-XNTDXEJSSA-N 0 0 434.336 4.642 40 10 IJCBRN C=CCOc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC ZINC000016404979 569259158 /nfs/dbraw/zinc/25/91/58/569259158.db2.gz DMMAWSMBUCJCKB-UVTDQMKNSA-N 0 0 428.373 4.634 40 10 IJCBRN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S)c1ccccc1 ZINC000021270688 569259167 /nfs/dbraw/zinc/25/91/67/569259167.db2.gz GWLQXOQQOKJZSY-RCCKNPSSSA-N 0 0 446.553 4.812 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000205728813 569261081 /nfs/dbraw/zinc/26/10/81/569261081.db2.gz JYPUOTSPKAOTTJ-RGVLZGJSSA-N 0 0 426.538 4.699 40 10 IJCBRN CCN1c2cc(C)c(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)cc2[C@H](C)CC1(C)C ZINC000208327273 569261396 /nfs/dbraw/zinc/26/13/96/569261396.db2.gz RLJXPOYEKOCPGA-UALMWKMKSA-N 0 0 430.570 4.705 40 10 IJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)cc3)C2=N)S1 ZINC000009434385 569534677 /nfs/dbraw/zinc/53/46/77/569534677.db2.gz XGKHBWORTZGIBP-NLEVOZIKSA-N 0 0 448.548 4.790 40 10 IJCBRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000012587266 519825867 /nfs/dbraw/zinc/82/58/67/519825867.db2.gz RDQPKLKVYRACEJ-JKSBSHDWSA-N 0 0 448.515 4.623 40 10 IJCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=N)S1 ZINC000041083032 519946755 /nfs/dbraw/zinc/94/67/55/519946755.db2.gz BZBHBKMQQPMPKJ-MWQVBJQISA-N 0 0 436.497 4.585 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 ZINC000041108327 520879633 /nfs/dbraw/zinc/87/96/33/520879633.db2.gz RMZGPMSBRCHDEN-ZQFCNSAKSA-N 0 0 447.564 4.539 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3C)c(OC)c2)SC1=S ZINC000041108573 521511395 /nfs/dbraw/zinc/51/13/95/521511395.db2.gz JEZUMFADONFGAG-ZHZULCJRSA-N 0 0 429.563 4.683 40 10 IJCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4ccc(-c5ccccc5)o4)C3=N)S2)c1 ZINC000033311452 524724612 /nfs/dbraw/zinc/72/46/12/524724612.db2.gz FIYAEKVVTIIDOI-HRXHUYTNSA-N 0 0 442.500 4.953 40 10 IJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C2=N)S1 ZINC000033497919 525345102 /nfs/dbraw/zinc/34/51/02/525345102.db2.gz OOQVQGFQBKIJSC-XCGHDDSDSA-N 0 0 429.958 4.687 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000033931559 526086293 /nfs/dbraw/zinc/08/62/93/526086293.db2.gz FGPRQNZREHKWLP-OSZNWEDFSA-N 0 0 443.532 4.971 40 10 IJCBRN O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 ZINC000034714206 555507370 /nfs/dbraw/zinc/50/73/70/555507370.db2.gz ZUEXAWNUHLZTFM-LDADJPATSA-N 0 0 425.466 4.930 40 10 IJCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(OC)c1 ZINC000001301763 555689384 /nfs/dbraw/zinc/68/93/84/555689384.db2.gz VNPOERIQZPYNCZ-LZYBPNLTSA-N 0 0 436.352 4.872 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)SC1=S ZINC000408571844 555915369 /nfs/dbraw/zinc/91/53/69/555915369.db2.gz CTVBVEVSYKJHAO-WQRHYEAKSA-N 0 0 446.981 4.967 40 10 IJCBRN Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000408575907 555926594 /nfs/dbraw/zinc/92/65/94/555926594.db2.gz OVNPCMOCIIYFRT-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)SC1=S ZINC000408578184 555929592 /nfs/dbraw/zinc/92/95/92/555929592.db2.gz WOLWUWOUNDEKNB-WQRHYEAKSA-N 0 0 446.981 4.967 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408585780 555936648 /nfs/dbraw/zinc/93/66/48/555936648.db2.gz ILIBWLBADRNUFQ-WQRHYEAKSA-N 0 0 426.856 4.742 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)c1 ZINC000008819161 556218617 /nfs/dbraw/zinc/21/86/17/556218617.db2.gz DAJFOQAVPUDPMO-ZHZULCJRSA-N 0 0 440.590 4.932 40 10 IJCBRN COc1cccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 ZINC000008820483 556220438 /nfs/dbraw/zinc/22/04/38/556220438.db2.gz USPHPPIQODIFJJ-RKJRYWECSA-N 0 0 438.574 4.872 40 10 IJCBRN COc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000008820484 556220499 /nfs/dbraw/zinc/22/04/99/556220499.db2.gz XBKORCDPCLIYML-DXQMBWDBSA-N 0 0 438.574 4.872 40 10 IJCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 ZINC000008821851 556223868 /nfs/dbraw/zinc/22/38/68/556223868.db2.gz GBXKTWJUFMUQKT-UDWIEESQSA-N 0 0 448.460 4.896 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408753449 556234095 /nfs/dbraw/zinc/23/40/95/556234095.db2.gz IVQCUFXYXWIIDD-XQNSMLJCSA-N 0 0 426.472 4.625 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408757070 556236801 /nfs/dbraw/zinc/23/68/01/556236801.db2.gz ZLUSVUZACIIVAC-XQNSMLJCSA-N 0 0 426.472 4.625 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408755296 556238240 /nfs/dbraw/zinc/23/82/40/556238240.db2.gz JHVYENOQYNIFDE-KGENOOAVSA-N 0 0 432.451 4.686 40 10 IJCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)C1=S ZINC000016362878 556603077 /nfs/dbraw/zinc/60/30/77/556603077.db2.gz NBVHLTQMPUIRNU-XLNRJJMWSA-N 0 0 441.556 4.809 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408759412 556686992 /nfs/dbraw/zinc/68/69/92/556686992.db2.gz DORQEDFRNDIYPS-XQNSMLJCSA-N 0 0 426.472 4.625 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2)cc1 ZINC000408760996 556687477 /nfs/dbraw/zinc/68/74/77/556687477.db2.gz BSCQSABKBCDWNF-CJLVFECKSA-N 0 0 428.488 4.937 40 10 IJCBRN CCN1c2ccc(C)cc2C=CC1=Cc1ccc2cccc(C)c2[n+]1CCCS(=O)(=O)[O-] ZINC000006089159 556828636 /nfs/dbraw/zinc/82/86/36/556828636.db2.gz AMPRHESQZUALQH-UHFFFAOYSA-O 0 0 449.596 4.916 40 10 IJCBRN COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2ccc(O)cc2)C1=O ZINC000408843897 556868305 /nfs/dbraw/zinc/86/83/05/556868305.db2.gz OAKFCONCJRYSFL-XSFVSMFZSA-N 0 0 449.304 4.998 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408894581 556880383 /nfs/dbraw/zinc/88/03/83/556880383.db2.gz RLSCPXIBCGLULA-BOPFTXTBSA-N 0 0 432.701 4.980 40 10 IJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408892255 556881418 /nfs/dbraw/zinc/88/14/18/556881418.db2.gz HRWNBMYGGABXHI-AQTBWJFISA-N 0 0 446.330 4.917 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408985253 556909046 /nfs/dbraw/zinc/90/90/46/556909046.db2.gz KDBFLAWSLPFGKA-YVLHZVERSA-N 0 0 432.701 4.980 40 10 IJCBRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2)nc1C ZINC000019765599 556910270 /nfs/dbraw/zinc/91/02/70/556910270.db2.gz WUPXMNWSOWTZPL-VWLOTQADSA-N 0 0 449.643 4.985 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409009531 556917487 /nfs/dbraw/zinc/91/74/87/556917487.db2.gz ATUGTJSEUBWUDR-JVVDOCDTSA-N 0 0 432.929 4.735 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000409020450 556924283 /nfs/dbraw/zinc/92/42/83/556924283.db2.gz PMBNTLZJQUSMJX-RONKMWSCSA-N 0 0 426.538 4.699 40 10 IJCBRN Cc1ccc(CN2C(=O)/C(=C/c3cc4c(cc3Br)OCO4)SC2=S)cc1 ZINC000409051081 556932818 /nfs/dbraw/zinc/93/28/18/556932818.db2.gz IJRQJSSJXSGADU-IDUWFGFVSA-N 0 0 448.363 4.888 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000409052184 556933663 /nfs/dbraw/zinc/93/36/63/556933663.db2.gz CAKPOPBYMPIDDB-STZFKDTASA-N 0 0 429.472 4.734 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000409059422 556936515 /nfs/dbraw/zinc/93/65/15/556936515.db2.gz XIUMKHKYYUAKSQ-ZHZULCJRSA-N 0 0 435.520 4.879 40 10 IJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)S1 ZINC000409091661 556951900 /nfs/dbraw/zinc/95/19/00/556951900.db2.gz RFOUMLVJUXZBDG-FRKPEAEDSA-N 0 0 439.295 4.818 40 10 IJCBRN COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S ZINC000409135546 556969188 /nfs/dbraw/zinc/96/91/88/556969188.db2.gz QZHYAVUMDTZYKH-QNGOZBTKSA-N 0 0 438.574 4.568 40 10 IJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 ZINC000409240049 557021189 /nfs/dbraw/zinc/02/11/89/557021189.db2.gz ODUADGMIUBOVMC-FYJGNVAPSA-N 0 0 449.894 4.631 40 10 IJCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409332093 557065534 /nfs/dbraw/zinc/06/55/34/557065534.db2.gz PZOGDFALLUJAMA-UNOMPAQXSA-N 0 0 444.534 4.794 40 10 IJCBRN CN(C)c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br ZINC000409340935 557068517 /nfs/dbraw/zinc/06/85/17/557068517.db2.gz BLKYFTMSZOPPTJ-AQTBWJFISA-N 0 0 431.355 4.794 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c(Br)cc1O ZINC000409348239 557076231 /nfs/dbraw/zinc/07/62/31/557076231.db2.gz RSYLDUPGCWDMEX-LZYBPNLTSA-N 0 0 436.352 4.878 40 10 IJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219769822 557267840 /nfs/dbraw/zinc/26/78/40/557267840.db2.gz PWADLZCTQGHGHB-UHFFFAOYSA-N 0 0 436.939 4.686 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Br)cc1 ZINC000222740931 557381654 /nfs/dbraw/zinc/38/16/54/557381654.db2.gz AQWJSODWXFKCKJ-PMACEKPBSA-N 0 0 441.398 4.854 40 10 IJCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 ZINC000033581983 557414532 /nfs/dbraw/zinc/41/45/32/557414532.db2.gz APYTYLAEGRBUCY-RCCKNPSSSA-N 0 0 449.601 4.508 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000223008682 557415008 /nfs/dbraw/zinc/41/50/08/557415008.db2.gz LATRDZJRXKYGTR-YADHBBJMSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000223008798 557415100 /nfs/dbraw/zinc/41/51/00/557415100.db2.gz LATRDZJRXKYGTR-FGZHOGPDSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223014111 557415597 /nfs/dbraw/zinc/41/55/97/557415597.db2.gz CXQNAICRYGFFGN-BJKOFHAPSA-N 0 0 434.609 4.725 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000014406721 557443823 /nfs/dbraw/zinc/44/38/23/557443823.db2.gz WXNOOCULFBVVMY-SXGWCWSVSA-N 0 0 433.247 4.779 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C)cn1 ZINC000223353718 557461680 /nfs/dbraw/zinc/46/16/80/557461680.db2.gz YPIGWDKILOOYQE-ZEQRLZLVSA-N 0 0 443.576 4.958 40 10 IJCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C)cc1C ZINC000017098962 557481998 /nfs/dbraw/zinc/48/19/98/557481998.db2.gz CHEAHMPOGLVQAJ-QNGOZBTKSA-N 0 0 434.521 4.565 40 10 IJCBRN CCN1C(=O)C(=Cc2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C(=O)N(CC)C1=S ZINC000223563558 557486813 /nfs/dbraw/zinc/48/68/13/557486813.db2.gz WCZOBKYBGPAHFI-INIZCTEOSA-N 0 0 427.614 4.566 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc21 ZINC000223574055 557487742 /nfs/dbraw/zinc/48/77/42/557487742.db2.gz LMWLVHLBTFCFAO-LOSJGSFVSA-N 0 0 442.588 4.607 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O ZINC000223583708 557488880 /nfs/dbraw/zinc/48/88/80/557488880.db2.gz CZNRBUYNROIRQH-BKQORJHRSA-N 0 0 430.570 4.707 40 10 IJCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000059138828 557816458 /nfs/dbraw/zinc/81/64/58/557816458.db2.gz VYVKOLJCHUOMOF-PXLXIMEGSA-N 0 0 427.504 4.720 40 10 IJCBRN CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S ZINC000059418096 557823188 /nfs/dbraw/zinc/82/31/88/557823188.db2.gz OCBJFGQBGSGBBT-CXUHLZMHSA-N 0 0 438.343 4.998 40 10 IJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C2=N)S1 ZINC000002208955 569194038 /nfs/dbraw/zinc/19/40/38/569194038.db2.gz JXVUSFZLMAAIDJ-FREPTNQOSA-N 0 0 443.985 4.996 40 10 IJCBRN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)cc1 ZINC000009670652 569297642 /nfs/dbraw/zinc/29/76/42/569297642.db2.gz VCNJYUUQDSPFAO-FBQNGNFFSA-N 0 0 433.464 4.678 40 10 IJCBRN COc1cccc(-n2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1 ZINC000041076356 569526365 /nfs/dbraw/zinc/52/63/65/569526365.db2.gz UZHBPPSUNRESTI-FBIWUZAXSA-N 0 0 433.537 4.685 40 10 IJCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000223246746 193957406 /nfs/dbraw/zinc/95/74/06/193957406.db2.gz MKBNOYJQEDZEGR-UHFFFAOYSA-N 0 0 425.754 4.644 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3cc4sccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000013083090 132344231 /nfs/dbraw/zinc/34/42/31/132344231.db2.gz LZDZMEAPGHACSF-UHFFFAOYSA-N 0 0 449.551 4.861 40 10 IJCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O ZINC000001295541 555689348 /nfs/dbraw/zinc/68/93/48/555689348.db2.gz OBQVQQBTUXRMGV-CXUHLZMHSA-N 0 0 436.352 4.959 40 10 IJCBRN Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1C ZINC000408574277 555924943 /nfs/dbraw/zinc/92/49/43/555924943.db2.gz LLTMUSPYIPVFDG-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1Br ZINC000408585397 555935955 /nfs/dbraw/zinc/93/59/55/555935955.db2.gz CVIRMEMTJPOGRU-PDGQHHTCSA-N 0 0 426.310 4.943 40 10 IJCBRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 ZINC000408646958 556022526 /nfs/dbraw/zinc/02/25/26/556022526.db2.gz QPFQLKBJEASMGN-UHFFFAOYSA-N 0 0 448.519 4.847 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000408648766 556029568 /nfs/dbraw/zinc/02/95/68/556029568.db2.gz ZJNVDTWWWGSFMY-UHFFFAOYSA-N 0 0 427.298 4.652 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)c1 ZINC000008819171 556218928 /nfs/dbraw/zinc/21/89/28/556218928.db2.gz LPTGSCUJTLNJNB-AQTBWJFISA-N 0 0 446.981 4.969 40 10 IJCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000008819789 556219498 /nfs/dbraw/zinc/21/94/98/556219498.db2.gz CRZADGUVNANJOX-RGEXLXHISA-N 0 0 425.579 4.790 40 10 IJCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccn3)C2=O)cc1 ZINC000008819790 556219569 /nfs/dbraw/zinc/21/95/69/556219569.db2.gz XVHRXEZKTANTQJ-SDXDJHTJSA-N 0 0 425.579 4.790 40 10 IJCBRN CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000008820056 556219846 /nfs/dbraw/zinc/21/98/46/556219846.db2.gz KFAYNBKIDAZCDO-RGEXLXHISA-N 0 0 449.594 4.910 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000016606304 556617081 /nfs/dbraw/zinc/61/70/81/556617081.db2.gz LIOLCUOTWUSUOX-YBEGLDIGSA-N 0 0 448.302 4.888 40 10 IJCBRN Cc1cc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C ZINC000000878750 556730629 /nfs/dbraw/zinc/73/06/29/556730629.db2.gz GLWHUBWCEIXNPP-UHFFFAOYSA-N 0 0 431.561 4.815 40 10 IJCBRN CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000000924804 556752325 /nfs/dbraw/zinc/75/23/25/556752325.db2.gz MVUHQMAAVHXFLS-OAQYLSRUSA-N 0 0 437.565 4.859 40 10 IJCBRN O=C1NC(=S)S/C1=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 ZINC000408841040 556867432 /nfs/dbraw/zinc/86/74/32/556867432.db2.gz HGOZCHLDAQYQLG-WZUFQYTHSA-N 0 0 445.703 4.760 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408846644 556868916 /nfs/dbraw/zinc/86/89/16/556868916.db2.gz XZJHCGINIKSBQC-KGENOOAVSA-N 0 0 449.304 4.998 40 10 IJCBRN O=S(=O)(c1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000408873437 556875581 /nfs/dbraw/zinc/87/55/81/556875581.db2.gz RFESUROOMCTTMT-CUYJMHBOSA-N 0 0 446.572 4.687 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c(C)c1 ZINC000408901204 556882622 /nfs/dbraw/zinc/88/26/22/556882622.db2.gz CAVXPLKLAKSGGE-HZHRSRAPSA-N 0 0 427.504 4.995 40 10 IJCBRN CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1C ZINC000408968811 556903992 /nfs/dbraw/zinc/90/39/92/556903992.db2.gz ZJZIEUXDKYPDJA-HMAPJEAMSA-N 0 0 444.491 4.658 40 10 IJCBRN CCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)cc1OCC ZINC000408975656 556906057 /nfs/dbraw/zinc/90/60/57/556906057.db2.gz BTGMWRXSTMHMJT-XLNRJJMWSA-N 0 0 449.547 4.789 40 10 IJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccc(Br)c1 ZINC000409033874 556927575 /nfs/dbraw/zinc/92/75/75/556927575.db2.gz MGHTYJOUWIGDQW-UXBLZVDNSA-N 0 0 431.158 4.951 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409051585 556933188 /nfs/dbraw/zinc/93/31/88/556933188.db2.gz AYNZRBQDUVSVCV-OYKKKHCWSA-N 0 0 441.531 4.670 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000409058580 556935728 /nfs/dbraw/zinc/93/57/28/556935728.db2.gz SUHKZPPFHMTFEN-DHDCSXOGSA-N 0 0 448.302 4.888 40 10 IJCBRN O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000409082169 556947893 /nfs/dbraw/zinc/94/78/93/556947893.db2.gz RXHPXWIOHFKVQM-CNJGYECJSA-N 0 0 429.538 4.785 40 10 IJCBRN O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000409079647 556948942 /nfs/dbraw/zinc/94/89/42/556948942.db2.gz LNOOFIIGKYNFAB-BDBXIWDTSA-N 0 0 429.538 4.785 40 10 IJCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S1)c1ccccc1 ZINC000409138243 556970767 /nfs/dbraw/zinc/97/07/67/556970767.db2.gz ZBDQODUAQVFHFV-STZFKDTASA-N 0 0 432.476 4.805 40 10 IJCBRN CCN1C(=O)[C@H](Cc2ccccc2OCc2ccc(Br)cc2)SC1=S ZINC000409149644 556974604 /nfs/dbraw/zinc/97/46/04/556974604.db2.gz MCVSJFWAWIJRFK-KRWDZBQOSA-N 0 0 436.396 4.819 40 10 IJCBRN O=C1[C@@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccco1 ZINC000409144221 556975955 /nfs/dbraw/zinc/97/59/55/556975955.db2.gz KBLRWMOGHGGZTD-HXUWFJFHSA-N 0 0 427.522 4.969 40 10 IJCBRN Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409173970 556984766 /nfs/dbraw/zinc/98/47/66/556984766.db2.gz QLRNNEUCRXFALQ-NDENLUEZSA-N 0 0 436.855 4.753 40 10 IJCBRN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409342779 557070349 /nfs/dbraw/zinc/07/03/49/557070349.db2.gz FJKGJJACCXKDIG-ZSOIEALJSA-N 0 0 439.921 4.681 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3cc4ccccc4oc3=O)SC2=S)cc1Cl ZINC000409352230 557079669 /nfs/dbraw/zinc/07/96/69/557079669.db2.gz XCXBZUZKIUPWGE-RQZCQDPDSA-N 0 0 429.906 4.861 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208262157 557080061 /nfs/dbraw/zinc/08/00/61/557080061.db2.gz NBBWSQMDYCJHDR-OPFCKLNOSA-N 0 0 436.961 4.661 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000208470425 557091794 /nfs/dbraw/zinc/09/17/94/557091794.db2.gz KVNYZBJQIUZQNI-OPFCKLNOSA-N 0 0 434.945 4.570 40 10 IJCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000006077054 557145462 /nfs/dbraw/zinc/14/54/62/557145462.db2.gz GGZBFXYPTZUXKO-RQTOMXEWSA-N 0 0 438.593 4.657 40 10 IJCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc1 ZINC000013025271 557274358 /nfs/dbraw/zinc/27/43/58/557274358.db2.gz QTLHQTZRKGUWST-XMMPIXPASA-N 0 0 431.536 4.793 40 10 IJCBRN O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21)N1CCOCC1 ZINC000101789133 557295748 /nfs/dbraw/zinc/29/57/48/557295748.db2.gz PQWMZFKKGXLRIV-LQWHRVPQSA-N 0 0 439.353 4.748 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000260568000 557296806 /nfs/dbraw/zinc/29/68/06/557296806.db2.gz NBBWSQMDYCJHDR-VQGSWFTOSA-N 0 0 436.961 4.661 40 10 IJCBRN CC(NCCc1c[nH]c2ccc(C)cc12)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000103525188 557315964 /nfs/dbraw/zinc/31/59/64/557315964.db2.gz KWVLVVSCPIWTLG-PXLXIMEGSA-N 0 0 429.549 4.915 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1ccc(C)c(C)c1 ZINC000033390851 557319232 /nfs/dbraw/zinc/31/92/32/557319232.db2.gz WJGZJAWYOYVVGI-ZHZULCJRSA-N 0 0 443.590 4.991 40 10 IJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000222776830 557385977 /nfs/dbraw/zinc/38/59/77/557385977.db2.gz CCDVCWMDPFCTOX-LEWJYISDSA-N 0 0 426.973 4.841 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222834950 557391587 /nfs/dbraw/zinc/39/15/87/557391587.db2.gz OHAFFYZKXIAQQR-XZOQPEGZSA-N 0 0 434.565 4.599 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223051433 557421475 /nfs/dbraw/zinc/42/14/75/557421475.db2.gz ZBOFXKARXPMEEU-ZEQRLZLVSA-N 0 0 434.609 4.807 40 10 IJCBRN CCN1C(=O)C(=Cc2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C(=O)N(CC)C1=S ZINC000223517418 557481559 /nfs/dbraw/zinc/48/15/59/557481559.db2.gz ORZNJNOTKBHXON-UHFFFAOYSA-N 0 0 439.625 4.784 40 10 IJCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC ZINC000017098964 557482015 /nfs/dbraw/zinc/48/20/15/557482015.db2.gz OUSQAHGLWPGNBO-STZFKDTASA-N 0 0 434.521 4.511 40 10 IJCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1ccccc1 ZINC000223558694 557485962 /nfs/dbraw/zinc/48/59/62/557485962.db2.gz CNHUBVJCJAYNNH-BJKOFHAPSA-N 0 0 425.561 4.748 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223561759 557486217 /nfs/dbraw/zinc/48/62/17/557486217.db2.gz WYFHIGXBORDGHL-WTQAEKLLSA-N 0 0 430.570 4.785 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccn1 ZINC000223848025 557520326 /nfs/dbraw/zinc/52/03/26/557520326.db2.gz AKPNPOQCFIHEBK-DNQXCXABSA-N 0 0 441.560 4.767 40 10 IJCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000223953069 557533489 /nfs/dbraw/zinc/53/34/89/557533489.db2.gz SBEXMTTYRSAUSX-UHFFFAOYSA-N 0 0 443.620 4.731 40 10 IJCBRN O=C(c1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1)N1CCCCC1 ZINC000225418581 557720806 /nfs/dbraw/zinc/72/08/06/557720806.db2.gz AIOQLQNLANRIAA-UHFFFAOYSA-N 0 0 436.625 4.790 40 10 IJCBRN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C ZINC000059138790 557816475 /nfs/dbraw/zinc/81/64/75/557816475.db2.gz YDLITDBBOCFHDX-CJLVFECKSA-N 0 0 427.504 4.665 40 10 IJCBRN CN1C(=O)C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N(C)C1=O ZINC000059194370 557818239 /nfs/dbraw/zinc/81/82/39/557818239.db2.gz XONLHTZTBZIGIW-UHFFFAOYSA-N 0 0 434.879 4.506 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000059435741 557820595 /nfs/dbraw/zinc/82/05/95/557820595.db2.gz ZQNSWVGOQMGGMY-ZROIWOOFSA-N 0 0 433.247 4.779 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000059435735 557820597 /nfs/dbraw/zinc/82/05/97/557820597.db2.gz SVQICSDYRFZSEL-SXGWCWSVSA-N 0 0 448.302 4.888 40 10 IJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 ZINC000260778618 557855355 /nfs/dbraw/zinc/85/53/55/557855355.db2.gz RVVKQOJVLKTLKU-AVIJNYRZSA-N 0 0 438.597 4.678 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000260926970 568630367 /nfs/dbraw/zinc/63/03/67/568630367.db2.gz XHXUELQOWWUDDA-NIJXNBFTSA-N 0 0 446.620 4.949 40 10 IJCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000229921240 569184866 /nfs/dbraw/zinc/18/48/66/569184866.db2.gz GGZBFXYPTZUXKO-OTNCWRBYSA-N 0 0 438.593 4.657 40 10 IJCBRN Oc1ccc([C@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)c(O)c1 ZINC000107803088 569251406 /nfs/dbraw/zinc/25/14/06/569251406.db2.gz ABPMSQODTXONHQ-IBGZPJMESA-N 0 0 432.530 4.668 40 10 IJCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc4ccccc43)C(C)=C2C(=O)OC)ccc1O ZINC000033596386 569259516 /nfs/dbraw/zinc/25/95/16/569259516.db2.gz TVLVAFQWHOAGAT-ZHZULCJRSA-N 0 0 429.472 4.821 40 10 IJCBRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000033783610 569259863 /nfs/dbraw/zinc/25/98/63/569259863.db2.gz AKHBMIXIDZERPM-HMAPJEAMSA-N 0 0 427.891 4.804 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000107709139 569260579 /nfs/dbraw/zinc/26/05/79/569260579.db2.gz PFHLGCGIZVNIIU-DHDCSXOGSA-N 0 0 433.247 4.779 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc(C)c1C ZINC000205740597 569261079 /nfs/dbraw/zinc/26/10/79/569261079.db2.gz PSEGLGYQJRXIJE-RGVLZGJSSA-N 0 0 426.538 4.699 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccc1Cl ZINC000205729343 569261084 /nfs/dbraw/zinc/26/10/84/569261084.db2.gz OLKFYFGEWWQESY-VCHYOVAHSA-N 0 0 432.929 4.735 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000208261500 569261190 /nfs/dbraw/zinc/26/11/90/569261190.db2.gz DSWDFCGCOHLKGI-XEXRMXALSA-N 0 0 436.961 4.660 40 10 IJCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215208738 569261471 /nfs/dbraw/zinc/26/14/71/569261471.db2.gz ITFQUXDKTFTTRW-AWQFTUOYSA-N 0 0 442.924 4.905 40 10 IJCBRN O=S(=O)(Nc1cc(SC2=NCCS2)c(O)c2ccccc12)c1ccc(F)cc1 ZINC000008870464 569480629 /nfs/dbraw/zinc/48/06/29/569480629.db2.gz ZWNPCQWAWYYFQZ-UHFFFAOYSA-N 0 0 434.539 4.680 40 10 IJCBRN CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2C)SC1=S ZINC000008915946 569485661 /nfs/dbraw/zinc/48/56/61/569485661.db2.gz HRNUQUPMMNMUIR-UYRXBGFRSA-N 0 0 444.534 4.582 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000041076355 569526411 /nfs/dbraw/zinc/52/64/11/569526411.db2.gz YFYJNTIKFBRUTM-JJEZRMFNSA-N 0 0 448.508 4.585 40 10 IJCBRN Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O ZINC000041076656 569526509 /nfs/dbraw/zinc/52/65/09/569526509.db2.gz RNWQOFIFCXCMQO-MQIWZSEOSA-N 0 0 431.546 4.986 40 10 IJCBRN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C2=N)S1 ZINC000041082998 519631840 /nfs/dbraw/zinc/63/18/40/519631840.db2.gz XEDIWHJNMAOFGK-AXPJIBDUSA-N 0 0 438.534 4.633 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=N)N2O1 ZINC000041078471 520853324 /nfs/dbraw/zinc/85/33/24/520853324.db2.gz RCXKXYVBKDQSRK-VMGUOVNQSA-N 0 0 437.883 4.557 40 10 IJCBRN CCc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 ZINC000041108211 523867595 /nfs/dbraw/zinc/86/75/95/523867595.db2.gz MLGWCRFTXPFNJD-SPMFCUJQSA-N 0 0 443.507 4.846 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000034718612 526087050 /nfs/dbraw/zinc/08/70/50/526087050.db2.gz AUTRWKHVBAPAFK-FZAWDKCWSA-N 0 0 429.505 4.663 40 10 IJCBRN COc1cc(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)cc(OC)c1OC ZINC000002259963 555763518 /nfs/dbraw/zinc/76/35/18/555763518.db2.gz HALFXRUOFHFOMU-MHWRWJLKSA-N 0 0 449.326 4.557 40 10 IJCBRN Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000408573211 555922972 /nfs/dbraw/zinc/92/29/72/555922972.db2.gz JBAJDOPOAGFFMB-UNOMPAQXSA-N 0 0 440.590 4.931 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408588327 555938844 /nfs/dbraw/zinc/93/88/44/555938844.db2.gz VOENHXRNYSOALI-PDGQHHTCSA-N 0 0 442.855 4.524 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000408647021 556022624 /nfs/dbraw/zinc/02/26/24/556022624.db2.gz RATYYHSVOJWASE-UHFFFAOYSA-N 0 0 441.325 4.961 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 ZINC000408706729 556114147 /nfs/dbraw/zinc/11/41/47/556114147.db2.gz CUIIBIFQNKYJEE-HXUWFJFHSA-N 0 0 431.536 4.873 40 10 IJCBRN Cc1cc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)no1 ZINC000008819799 556219792 /nfs/dbraw/zinc/21/97/92/556219792.db2.gz ITGYHCXNAODNRW-LGMDPLHJSA-N 0 0 429.567 4.692 40 10 IJCBRN COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000008820482 556220504 /nfs/dbraw/zinc/22/05/04/556220504.db2.gz REJQRYLIEYJEQO-LCJXIQSFSA-N 0 0 438.574 4.872 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000214674083 556339918 /nfs/dbraw/zinc/33/99/18/556339918.db2.gz ZJHLUSHTCGKDKN-KGENOOAVSA-N 0 0 431.517 4.769 40 10 IJCBRN CCN(CC)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1 ZINC000011640040 556342722 /nfs/dbraw/zinc/34/27/22/556342722.db2.gz SPCXDEAEHZXQFF-XMHGGMMESA-N 0 0 428.579 4.956 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(C)c1C ZINC000033713247 556624287 /nfs/dbraw/zinc/62/42/87/556624287.db2.gz AZFIOYRKWUMZCU-JLFKZYKSSA-N 0 0 443.532 4.971 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC ZINC000016692876 556627918 /nfs/dbraw/zinc/62/79/18/556627918.db2.gz BMYIIDAWCVIHOI-MOSHPQCFSA-N 0 0 429.563 4.894 40 10 IJCBRN COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)c(C)cc4cc3C)CC2)cc1 ZINC000000902934 556742364 /nfs/dbraw/zinc/74/23/64/556742364.db2.gz RTUOQLJLTLHFPL-UHFFFAOYSA-N 0 0 435.593 4.610 40 10 IJCBRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc(Cl)ccc1O ZINC000002454568 556801619 /nfs/dbraw/zinc/80/16/19/556801619.db2.gz YQWFKYYRDBSGCV-GDNBJRDFSA-N 0 0 438.983 4.727 40 10 IJCBRN Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000006301482 556832459 /nfs/dbraw/zinc/83/24/59/556832459.db2.gz SNRQTSBXIVZGGQ-UHFFFAOYSA-N 0 0 431.561 4.815 40 10 IJCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 ZINC000408776774 556847609 /nfs/dbraw/zinc/84/76/09/556847609.db2.gz QNZRULGDIBLNNX-VPVLBGOXSA-N 0 0 447.560 4.985 40 10 IJCBRN CCOC(=O)c1c(Cl)c(C=C2SC(=S)NC2=O)oc1Nc1ccc(Cl)cc1 ZINC000408816719 556863870 /nfs/dbraw/zinc/86/38/70/556863870.db2.gz UMOVGJXYFFCUEO-YRNVUSSQSA-N 0 0 443.333 4.996 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000408842176 556867730 /nfs/dbraw/zinc/86/77/30/556867730.db2.gz NHLYCPRHSUZXOF-PXLXIMEGSA-N 0 0 428.488 4.855 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C1=O ZINC000409018379 556919834 /nfs/dbraw/zinc/91/98/34/556919834.db2.gz HFFOQXRBOFBNLE-RONKMWSCSA-N 0 0 426.538 4.699 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000409015765 556921213 /nfs/dbraw/zinc/92/12/13/556921213.db2.gz FHXZWKJNOLSHHM-WQRHYEAKSA-N 0 0 427.884 4.543 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000409023549 556923582 /nfs/dbraw/zinc/92/35/82/556923582.db2.gz YOPUIZJSDHBREQ-OCKHKDLRSA-N 0 0 431.319 4.937 40 10 IJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000409031870 556927181 /nfs/dbraw/zinc/92/71/81/556927181.db2.gz BUDWAXUGRAPKFM-UITAMQMPSA-N 0 0 447.157 4.656 40 10 IJCBRN CCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)NC1=S ZINC000409080291 556947153 /nfs/dbraw/zinc/94/71/53/556947153.db2.gz MUECPEUQPNHXTG-PDGQHHTCSA-N 0 0 445.382 4.804 40 10 IJCBRN Cc1cccc(COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)c1 ZINC000409086866 556950646 /nfs/dbraw/zinc/95/06/46/556950646.db2.gz RZFOYOCIZHWQGE-TUNPGAEXSA-N 0 0 425.575 4.954 40 10 IJCBRN COC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 ZINC000409142347 556967958 /nfs/dbraw/zinc/96/79/58/556967958.db2.gz YHRAWCCFGSGXJF-UNOMPAQXSA-N 0 0 428.579 4.596 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000409171465 556983432 /nfs/dbraw/zinc/98/34/32/556983432.db2.gz BSAOTFHNMBTQRO-XDHOZWIPSA-N 0 0 443.956 4.861 40 10 IJCBRN CCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(C(=O)OC)=C1C ZINC000409195919 556994241 /nfs/dbraw/zinc/99/42/41/556994241.db2.gz SOECOVAUWMXURN-QNGOZBTKSA-N 0 0 435.520 4.747 40 10 IJCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S ZINC000409209735 557004127 /nfs/dbraw/zinc/00/41/27/557004127.db2.gz HPWZIEHAXSBDHK-NSIKDUERSA-N 0 0 428.322 4.857 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409212411 557007151 /nfs/dbraw/zinc/00/71/51/557007151.db2.gz MBJCOMOVJAOHNV-VXLYETTFSA-N 0 0 446.956 4.983 40 10 IJCBRN Cc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208230359 557079761 /nfs/dbraw/zinc/07/97/61/557079761.db2.gz HODMGPDXYXWMOV-RPJLVFAOSA-N 0 0 430.570 4.705 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000208474416 557092527 /nfs/dbraw/zinc/09/25/27/557092527.db2.gz HICPMMMFKLYUAW-AGZSBTIMSA-N 0 0 448.972 4.960 40 10 IJCBRN COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000102695448 557131328 /nfs/dbraw/zinc/13/13/28/557131328.db2.gz ZNLCFIFTQAUNAZ-ZSOIEALJSA-N 0 0 449.688 4.926 40 10 IJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 ZINC000103918561 557140379 /nfs/dbraw/zinc/14/03/79/557140379.db2.gz FPAGPOROENTCFL-HAHDFKILSA-N 0 0 449.486 4.824 40 10 IJCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1C(=O)OC ZINC000103919244 557140730 /nfs/dbraw/zinc/14/07/30/557140730.db2.gz HBJLWDJRGWJJSD-ZHZULCJRSA-N 0 0 434.521 4.972 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013477556 557322314 /nfs/dbraw/zinc/32/23/14/557322314.db2.gz VVHDVITVYMCUDV-KQWNVCNZSA-N 0 0 432.501 4.569 40 10 IJCBRN CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000013509929 557331612 /nfs/dbraw/zinc/33/16/12/557331612.db2.gz ALUDSMHZXXWTSP-UHFFFAOYSA-N 0 0 427.501 4.949 40 10 IJCBRN COc1cc(N2CCCCC2)c(OC)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222596626 557358554 /nfs/dbraw/zinc/35/85/54/557358554.db2.gz WECYAEFVZBPSGG-GMWOSMDTSA-N 0 0 438.597 4.678 40 10 IJCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000222776755 557385842 /nfs/dbraw/zinc/38/58/42/557385842.db2.gz CCDVCWMDPFCTOX-RTWAWAEBSA-N 0 0 426.973 4.841 40 10 IJCBRN CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N12 ZINC000103563407 557439298 /nfs/dbraw/zinc/43/92/98/557439298.db2.gz WFPBQHOJIXEUQI-GQZSXMDHSA-N 0 0 439.924 4.965 40 10 IJCBRN CCN1c2cc(C)c(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223583591 557488898 /nfs/dbraw/zinc/48/88/98/557488898.db2.gz RLJXPOYEKOCPGA-WTQAEKLLSA-N 0 0 430.570 4.705 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000223620090 557492826 /nfs/dbraw/zinc/49/28/26/557492826.db2.gz DSWDFCGCOHLKGI-UFEKZKASSA-N 0 0 436.961 4.660 40 10 IJCBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(Cl)c1Cl ZINC000223695539 557503402 /nfs/dbraw/zinc/50/34/02/557503402.db2.gz VTRWWZNKONRMNP-CQSZACIVSA-N 0 0 443.396 4.717 40 10 IJCBRN Cc1c(Cl)cnc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1Br ZINC000223950671 557533297 /nfs/dbraw/zinc/53/32/97/557533297.db2.gz DNPGGMJYGCORMU-UHFFFAOYSA-N 0 0 439.810 4.893 40 10 IJCBRN COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C ZINC000224282477 557585494 /nfs/dbraw/zinc/58/54/94/557585494.db2.gz UDTRBAZXVFFNDK-GOSISDBHSA-N 0 0 430.614 4.842 40 10 IJCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000224633358 557633972 /nfs/dbraw/zinc/63/39/72/557633972.db2.gz DPVXNSLTDATGIO-UHFFFAOYSA-N 0 0 425.754 4.644 40 10 IJCBRN C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCC2)cc1 ZINC000225696733 557765780 /nfs/dbraw/zinc/76/57/80/557765780.db2.gz ABWOBXNTUHJYPV-LJQANCHMSA-N 0 0 436.625 4.961 40 10 IJCBRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000225877332 557787980 /nfs/dbraw/zinc/78/79/80/557787980.db2.gz UNEVQSXQIQSRBS-ULJHMMPZSA-N 0 0 445.588 4.744 40 10 IJCBRN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC2(CCCCC2)OC1=O ZINC000059489871 557826064 /nfs/dbraw/zinc/82/60/64/557826064.db2.gz LPADPDNCPXHGOR-QGZVFWFLSA-N 0 0 428.485 4.508 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S ZINC000059514601 557827044 /nfs/dbraw/zinc/82/70/44/557827044.db2.gz VLUBQNZFLBXVQG-CXUHLZMHSA-N 0 0 431.451 4.516 40 10 IJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N(C)C)c(Br)c3)N21 ZINC000260769250 557853570 /nfs/dbraw/zinc/85/35/70/557853570.db2.gz KVPRDMGRYLOAON-CCKFTAQKSA-N 0 0 431.403 4.890 40 10 IJCBRN COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(N3CCC[C@H](C)C3)cc1)CCCC2 ZINC000260762191 557853773 /nfs/dbraw/zinc/85/37/73/557853773.db2.gz GXDPUIPWOBNPON-OALUTQOASA-N 0 0 442.625 4.850 40 10 IJCBRN COc1cc(N2CCCCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260786325 557855335 /nfs/dbraw/zinc/85/53/35/557855335.db2.gz WECYAEFVZBPSGG-ZGNKEGEESA-N 0 0 438.597 4.678 40 10 IJCBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2ccc(Cl)cc2)SC1=S ZINC000256055314 568663337 /nfs/dbraw/zinc/66/33/37/568663337.db2.gz BLAPKOKCEPIAFU-XIDKLXSXSA-N 0 0 446.981 4.628 40 10 IJCBRN CC(C)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328964894 568807848 /nfs/dbraw/zinc/80/78/48/568807848.db2.gz BXQOBQYHXKZCPZ-UHFFFAOYSA-N 0 0 438.837 4.809 40 10 IJCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000026681036 568906948 /nfs/dbraw/zinc/90/69/48/568906948.db2.gz DSCMOBQUGPLDQS-STZFKDTASA-N 0 0 443.590 4.991 40 10 IJCBRN CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C1=O ZINC000111674802 569253660 /nfs/dbraw/zinc/25/36/60/569253660.db2.gz TXGJRZUPGIQYHE-XDHOZWIPSA-N 0 0 438.325 4.673 40 10 IJCBRN Cc1cc(C)cc(NC2=NC(=O)C(=Cc3ccccc3I)S2)c1 ZINC000033528335 569259354 /nfs/dbraw/zinc/25/93/54/569259354.db2.gz LIHVHYBVABQAOC-YBEGLDIGSA-N 0 0 434.302 4.990 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)cc1OC ZINC000033717405 569259602 /nfs/dbraw/zinc/25/96/02/569259602.db2.gz DGLHDYQEUPPBKR-HKWRFOASSA-N 0 0 425.525 4.657 40 10 IJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000033772432 569259713 /nfs/dbraw/zinc/25/97/13/569259713.db2.gz KIMABTMGGUIDQV-WQRHYEAKSA-N 0 0 426.303 4.862 40 10 IJCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000039132432 569260316 /nfs/dbraw/zinc/26/03/16/569260316.db2.gz GGIWLCVUWZEMAP-HAVVHWLPSA-N 0 0 428.488 4.937 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000041076757 569526486 /nfs/dbraw/zinc/52/64/86/569526486.db2.gz GALKDIHGZFRYIQ-OSZNWEDFSA-N 0 0 443.532 4.971 40 10 IJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cc(Cl)ccc3OC)C2=N)S1 ZINC000041083341 519894912 /nfs/dbraw/zinc/89/49/12/519894912.db2.gz LYZJVCNKFVLWAK-CKFBTKOKSA-N 0 0 427.917 4.559 40 10 IJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccccc1 ZINC000041082454 520626755 /nfs/dbraw/zinc/62/67/55/520626755.db2.gz ACWSOWRPVHSGKU-ZWPOCWBHSA-N 0 0 449.532 4.707 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(c3ccc(F)cc3)=NN21 ZINC000041108215 526837116 /nfs/dbraw/zinc/83/71/16/526837116.db2.gz HUKSQCGLSDZBMT-PZVBXIRDSA-N 0 0 449.898 4.937 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 ZINC000408706728 556114066 /nfs/dbraw/zinc/11/40/66/556114066.db2.gz CUIIBIFQNKYJEE-FQEVSTJZSA-N 0 0 431.536 4.873 40 10 IJCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nc2ccccc2s1 ZINC000008820405 556220474 /nfs/dbraw/zinc/22/04/74/556220474.db2.gz BRYUABTZPBPSLW-NPDFUIFFSA-N 0 0 437.571 4.692 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(F)cc2)cc1 ZINC000408757137 556236890 /nfs/dbraw/zinc/23/68/90/556236890.db2.gz XISHICBIBBQOFO-KGENOOAVSA-N 0 0 432.451 4.686 40 10 IJCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2)cc1 ZINC000009189334 556252277 /nfs/dbraw/zinc/25/22/77/556252277.db2.gz DJVIBPXEWMSGPB-TUNPGAEXSA-N 0 0 425.575 4.954 40 10 IJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O ZINC000009263022 556270148 /nfs/dbraw/zinc/27/01/48/556270148.db2.gz URGXWLMKLKQGQM-CIAFOILYSA-N 0 0 442.512 4.680 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3ccc(CN4CCCc5ccccc54)cc3)CC2)cc1 ZINC000044842976 556668939 /nfs/dbraw/zinc/66/89/39/556668939.db2.gz BXMICUKIYXRNGG-UHFFFAOYSA-N 0 0 441.575 4.610 40 10 IJCBRN COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccc(O)cc2)C1=O ZINC000408759519 556686651 /nfs/dbraw/zinc/68/66/51/556686651.db2.gz GLHKCFVBDOBLFV-XSFVSMFZSA-N 0 0 449.304 4.998 40 10 IJCBRN COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cccc(OC)c1O ZINC000019326102 556736451 /nfs/dbraw/zinc/73/64/51/556736451.db2.gz LXMBWJQOGHYEJG-UHFFFAOYSA-N 0 0 448.563 4.825 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408764015 556829204 /nfs/dbraw/zinc/82/92/04/556829204.db2.gz RBGGINJYFDRULC-XQNSMLJCSA-N 0 0 444.462 4.846 40 10 IJCBRN CN(C)c1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 ZINC000408845590 556868672 /nfs/dbraw/zinc/86/86/72/556868672.db2.gz QQPPQJLYUMFPCM-OQLLNIDSSA-N 0 0 427.869 4.873 40 10 IJCBRN COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408885035 556877976 /nfs/dbraw/zinc/87/79/76/556877976.db2.gz WOJCEZDZZMWRJL-UHFFFAOYSA-N 0 0 432.863 4.932 40 10 IJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408979126 556908704 /nfs/dbraw/zinc/90/87/04/556908704.db2.gz LMDSAFMMMCTMDW-ULJHMMPZSA-N 0 0 427.500 4.764 40 10 IJCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OC ZINC000409043300 556929736 /nfs/dbraw/zinc/92/97/36/556929736.db2.gz YSZRVUZNMVWHTC-ZSOIEALJSA-N 0 0 430.389 4.714 40 10 IJCBRN CCn1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1C ZINC000409086935 556950671 /nfs/dbraw/zinc/95/06/71/556950671.db2.gz HYQJQHSSTZGIIK-UHFFFAOYSA-N 0 0 429.545 4.873 40 10 IJCBRN Cc1cccc(COc2ccc(C[C@H]3SC(=S)N(Cc4cccnc4)C3=O)cc2)c1 ZINC000409142884 556975239 /nfs/dbraw/zinc/97/52/39/556975239.db2.gz DSSZTRGIUMAYML-JOCHJYFZSA-N 0 0 434.586 4.941 40 10 IJCBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1 ZINC000409179610 556987798 /nfs/dbraw/zinc/98/77/98/556987798.db2.gz RZZRJRZWGVYFMC-DEDYPNTBSA-N 0 0 448.525 4.695 40 10 IJCBRN CCN1c2ccccc2/C(=C\c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)C1=O ZINC000409193102 556992715 /nfs/dbraw/zinc/99/27/15/556992715.db2.gz BQYZJZQGOFESML-KMYAOZERSA-N 0 0 427.548 4.949 40 10 IJCBRN O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F ZINC000409200978 557000468 /nfs/dbraw/zinc/00/04/68/557000468.db2.gz KTFAVKXSQBSWCA-RIYZIHGNSA-N 0 0 439.287 4.902 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000409228515 557015307 /nfs/dbraw/zinc/01/53/07/557015307.db2.gz BAUYFDBBQKDQCY-CPNJWEJPSA-N 0 0 442.357 4.697 40 10 IJCBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409340573 557068163 /nfs/dbraw/zinc/06/81/63/557068163.db2.gz ZNZYCGVRHVKNEW-GIJQJNRQSA-N 0 0 433.576 4.840 40 10 IJCBRN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S ZINC000409344460 557071448 /nfs/dbraw/zinc/07/14/48/557071448.db2.gz JHJZCYQFOUJITK-UYRXBGFRSA-N 0 0 437.502 4.800 40 10 IJCBRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409351127 557078811 /nfs/dbraw/zinc/07/88/11/557078811.db2.gz ZMQUJZDUZYBZEE-YBEGLDIGSA-N 0 0 433.352 4.813 40 10 IJCBRN Cc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208230319 557079305 /nfs/dbraw/zinc/07/93/05/557079305.db2.gz HODMGPDXYXWMOV-GDXCHIGESA-N 0 0 430.570 4.705 40 10 IJCBRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(OC)c1OC ZINC000218187613 557181017 /nfs/dbraw/zinc/18/10/17/557181017.db2.gz SYNRUQDQOITCIN-XWGMLZDCSA-N 0 0 438.568 4.839 40 10 IJCBRN CCN1c2ccccc2C(c2ccccc2)=C(C(=O)N2CCCc3ccccc32)S1(=O)=O ZINC000219185820 557230318 /nfs/dbraw/zinc/23/03/18/557230318.db2.gz FZTHIAMSVUYIED-UHFFFAOYSA-N 0 0 444.556 4.595 40 10 IJCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(I)o2)SC1=S ZINC000040846758 557232265 /nfs/dbraw/zinc/23/22/65/557232265.db2.gz VFRQAMKWUYHCFL-WQLSENKSSA-N 0 0 427.288 4.598 40 10 IJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C ZINC000222855009 557394779 /nfs/dbraw/zinc/39/47/79/557394779.db2.gz CCGKWRBNQHBACL-PKTZIBPZSA-N 0 0 448.592 4.657 40 10 IJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000222970031 557409857 /nfs/dbraw/zinc/40/98/57/557409857.db2.gz HGDSEZFRWZSUSR-BJKOFHAPSA-N 0 0 448.592 4.990 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000223008890 557415025 /nfs/dbraw/zinc/41/50/25/557415025.db2.gz XDZPSUXDBKUYHU-VXKWHMMOSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223013513 557415289 /nfs/dbraw/zinc/41/52/89/557415289.db2.gz SZLLUGFWGBHEJT-RPWUZVMVSA-N 0 0 434.609 4.725 40 10 IJCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCOC)c1C ZINC000223016745 557415867 /nfs/dbraw/zinc/41/58/67/557415867.db2.gz WTAUOUCBXLHMQE-ILBGXUMGSA-N 0 0 448.636 4.979 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000223051302 557421450 /nfs/dbraw/zinc/42/14/50/557421450.db2.gz OFVWMDZRXMZGSJ-BJKOFHAPSA-N 0 0 434.609 4.807 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000223052615 557422075 /nfs/dbraw/zinc/42/20/75/557422075.db2.gz XOCCINZZQVYXQE-XZOQPEGZSA-N 0 0 438.572 4.637 40 10 IJCBRN CC1=CSC2=NC(=O)/C(=C\c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=N)N12 ZINC000103604895 557439810 /nfs/dbraw/zinc/43/98/10/557439810.db2.gz OWBCBTZCUADLLT-MFQHCGCSSA-N 0 0 442.500 4.585 40 10 IJCBRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2O)cc1 ZINC000014607236 557447495 /nfs/dbraw/zinc/44/74/95/557447495.db2.gz XTSPTLRFDOWHLH-HSZRJFAPSA-N 0 0 426.476 4.678 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000223307593 557457466 /nfs/dbraw/zinc/45/74/66/557457466.db2.gz PFBSTBZJCWGQBM-FTBPSBKWSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1O ZINC000223346974 557460888 /nfs/dbraw/zinc/46/08/88/557460888.db2.gz HTFURNLREZVXQW-RPWUZVMVSA-N 0 0 444.560 4.960 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc21 ZINC000223574122 557487673 /nfs/dbraw/zinc/48/76/73/557487673.db2.gz LMWLVHLBTFCFAO-DQEYMECFSA-N 0 0 442.588 4.607 40 10 IJCBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)C1 ZINC000223707033 557504432 /nfs/dbraw/zinc/50/44/32/557504432.db2.gz UFMGOECUSHATPX-GOSISDBHSA-N 0 0 428.598 4.505 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2cccs2)cc1 ZINC000019646260 557505184 /nfs/dbraw/zinc/50/51/84/557505184.db2.gz BRILBCDAPWHWAP-QJOMJCCJSA-N 0 0 447.560 4.623 40 10 IJCBRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(N2CCCC2)cc1 ZINC000223928484 557530018 /nfs/dbraw/zinc/53/00/18/557530018.db2.gz IFSHBMWWKOCLGP-IBGZPJMESA-N 0 0 449.576 4.579 40 10 IJCBRN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(N2CCCC2)cc1 ZINC000223970455 557536638 /nfs/dbraw/zinc/53/66/38/557536638.db2.gz YCKFMSLDSMQAML-LJQANCHMSA-N 0 0 449.576 4.579 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1 ZINC000224595020 557628679 /nfs/dbraw/zinc/62/86/79/557628679.db2.gz LCGPOQFBGQNKIT-ZEQRLZLVSA-N 0 0 441.560 4.767 40 10 IJCBRN CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225591173 557748665 /nfs/dbraw/zinc/74/86/65/557748665.db2.gz ISMZKWVOQKHYRF-UHFFFAOYSA-N 0 0 431.983 4.854 40 10 IJCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2CCCCCC2)n1 ZINC000225956969 557796836 /nfs/dbraw/zinc/79/68/36/557796836.db2.gz FUEIEOLYEGFCHB-UHFFFAOYSA-N 0 0 445.036 4.597 40 10 IJCBRN O=C1C(=Cc2ccc(N3CCCC3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000059138395 557816352 /nfs/dbraw/zinc/81/63/52/557816352.db2.gz XDWNGJSSNOCGDR-UHFFFAOYSA-N 0 0 443.528 4.628 40 10 IJCBRN CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260742716 557852825 /nfs/dbraw/zinc/85/28/25/557852825.db2.gz YHJIMDCZCPEXBD-KRWDZBQOSA-N 0 0 425.598 4.895 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000260781386 557855552 /nfs/dbraw/zinc/85/55/52/557855552.db2.gz SSPPVKGTRINDQQ-DURYTUKUSA-N 0 0 432.549 4.807 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000260912527 568629588 /nfs/dbraw/zinc/62/95/88/568629588.db2.gz FUUQORFUJYLNAW-NQHRYMMQSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1ccc(Nc2cc3c(c4c2C(=O)c2ccccc2C4=O)N[S@](=O)N3CC(C)C)cc1 ZINC000248116636 569207186 /nfs/dbraw/zinc/20/71/86/569207186.db2.gz PVXDHTHMOZHNOX-YTTGMZPUSA-N 0 0 445.544 4.981 40 10 IJCBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(C)c1O ZINC000038183338 569260207 /nfs/dbraw/zinc/26/02/07/569260207.db2.gz GCZHUBGALFYZHS-UHFFFAOYSA-N 0 0 428.513 4.757 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000205737982 569261127 /nfs/dbraw/zinc/26/11/27/569261127.db2.gz WQPPDUXHCYASTR-RGVLZGJSSA-N 0 0 426.538 4.699 40 10 IJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=N)S1 ZINC000002449639 569304782 /nfs/dbraw/zinc/30/47/82/569304782.db2.gz CXCFZLQYJNALLS-CDLVGDAQSA-N 0 0 447.948 4.826 40 10 IJCBRN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)cc1 ZINC000008871636 569480853 /nfs/dbraw/zinc/48/08/53/569480853.db2.gz MBWXHQDAMBGBNV-PGMHBOJBSA-N 0 0 438.618 4.889 40 10 IJCBRN N=C1/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000041076294 569526400 /nfs/dbraw/zinc/52/64/00/569526400.db2.gz CDWQJBPFRXMVRF-PHPCRVQTSA-N 0 0 448.401 4.586 40 10 IJCBRN CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)sc2c1 ZINC000408535760 569584568 /nfs/dbraw/zinc/58/45/68/569584568.db2.gz ZZLRURVJXCPLMZ-WJDWOHSUSA-N 0 0 426.929 5.375 40 10 IJCBRN COc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000003024211 132260607 /nfs/dbraw/zinc/26/06/07/132260607.db2.gz QFBJNMKECCTGRH-UHFFFAOYSA-N 0 0 426.472 4.895 40 10 IJCBRN CSc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 ZINC000009189250 132307759 /nfs/dbraw/zinc/30/77/59/132307759.db2.gz UXEVZYNHWNTSCQ-UYRXBGFRSA-N 0 0 429.998 4.854 40 10 IJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3ccccc3OCCOc3ccccc3C)C2=N)S1 ZINC000041083440 519894297 /nfs/dbraw/zinc/89/42/97/519894297.db2.gz WQWMOILPLUORII-RBGLVPEDSA-N 0 0 448.548 4.872 40 10 IJCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=N)S1 ZINC000041083132 519946985 /nfs/dbraw/zinc/94/69/85/519946985.db2.gz ABOUCDIXZCCZHZ-WMQSWVATSA-N 0 0 435.347 4.657 40 10 IJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000041078362 520626664 /nfs/dbraw/zinc/62/66/64/520626664.db2.gz NKJWFYPPMPWNRO-SJSMOWRDSA-N 0 0 437.883 4.768 40 10 IJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000041078347 521957669 /nfs/dbraw/zinc/95/76/69/521957669.db2.gz WYSIEPIUKPJRLH-LQXVEBIKSA-N 0 0 437.883 4.686 40 10 IJCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OC[C@H](C)COc1ccccc1 ZINC000012383568 521977610 /nfs/dbraw/zinc/97/76/10/521977610.db2.gz SKPPWZMHSUYYSZ-CCOVPTLTSA-N 0 0 449.981 4.931 40 10 IJCBRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)N(C)Cc2ccccc2)cc1 ZINC000012601002 522139731 /nfs/dbraw/zinc/13/97/31/522139731.db2.gz UNFCESMBQAQIPR-CYYJNZCTSA-N 0 0 430.508 4.983 40 10 IJCBRN CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2)cc1 ZINC000041107977 524005128 /nfs/dbraw/zinc/00/51/28/524005128.db2.gz VBDAIVCWNIVGDW-GERRNVAGSA-N 0 0 448.548 4.736 40 10 IJCBRN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C2=N)S1 ZINC000041108278 525281489 /nfs/dbraw/zinc/28/14/89/525281489.db2.gz GEOAMSHMWUOYFJ-OQYABBNDSA-N 0 0 442.500 4.953 40 10 IJCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCc2ccccc21 ZINC000020227412 526475543 /nfs/dbraw/zinc/47/55/43/526475543.db2.gz GWCWFLQRQMJXAI-UHCXRUQISA-N 0 0 434.586 4.814 40 10 IJCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)c(Cl)c1 ZINC000001262897 555688110 /nfs/dbraw/zinc/68/81/10/555688110.db2.gz TUBWSNIEIDTAPA-NTUHNPAUSA-N 0 0 429.375 4.895 40 10 IJCBRN CCCCCCOc1ccc(Br)cc1/C=C1/SC(NC(C)=O)=NC1=O ZINC000408539436 555790135 /nfs/dbraw/zinc/79/01/35/555790135.db2.gz HPPJOVVYVSUXFF-LFIBNONCSA-N 0 0 425.348 4.515 40 10 IJCBRN Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(C(C)C)C1=O ZINC000408577316 555927902 /nfs/dbraw/zinc/92/79/02/555927902.db2.gz SKLBQZOZRROGDY-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1Br ZINC000408585410 555935902 /nfs/dbraw/zinc/93/59/02/555935902.db2.gz DBWUQZMVJVLTBE-PDGQHHTCSA-N 0 0 426.310 4.943 40 10 IJCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408584516 555937232 /nfs/dbraw/zinc/93/72/32/555937232.db2.gz QRUJDSXBIZCYIR-AQTBWJFISA-N 0 0 446.341 4.718 40 10 IJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000008819303 556218939 /nfs/dbraw/zinc/21/89/39/556218939.db2.gz ZRDFNPRUHJAFGE-ATVHPVEESA-N 0 0 432.954 4.579 40 10 IJCBRN CN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000008820546 556220807 /nfs/dbraw/zinc/22/08/07/556220807.db2.gz JLOCZTUYQOFOQJ-KMEREPAUSA-N 0 0 436.602 4.883 40 10 IJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(O)c2)C1=O ZINC000008820559 556220821 /nfs/dbraw/zinc/22/08/21/556220821.db2.gz UIJSXQDBLFHKJA-SDEVTQOVSA-N 0 0 438.574 4.959 40 10 IJCBRN CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccc3Br)cc2)SC1=S ZINC000008870010 556228724 /nfs/dbraw/zinc/22/87/24/556228724.db2.gz NAVADQLHDXFGAR-XNTDXEJSSA-N 0 0 433.352 4.532 40 10 IJCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 ZINC000032109756 556530397 /nfs/dbraw/zinc/53/03/97/556530397.db2.gz HKUNLARQBVZYLX-WQRHYEAKSA-N 0 0 445.862 4.598 40 10 IJCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc21 ZINC000032110017 556530650 /nfs/dbraw/zinc/53/06/50/556530650.db2.gz HZGRMVFEDYVJLT-OEAKJJBVSA-N 0 0 446.528 4.924 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408760031 556687024 /nfs/dbraw/zinc/68/70/24/556687024.db2.gz QFCZSKIFRILLGS-DEDYPNTBSA-N 0 0 434.879 4.897 40 10 IJCBRN Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C ZINC000000879070 556730079 /nfs/dbraw/zinc/73/00/79/556730079.db2.gz UQFRBPHNDGHGQJ-UHFFFAOYSA-N 0 0 449.551 4.954 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(C)c3)C2=O)c(OC)c1 ZINC000408840967 556867455 /nfs/dbraw/zinc/86/74/55/556867455.db2.gz DYMYDYNTCCLECR-PXLXIMEGSA-N 0 0 428.488 4.855 40 10 IJCBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OC ZINC000408873525 556875542 /nfs/dbraw/zinc/87/55/42/556875542.db2.gz VJDIHPOFNJXTKD-UHFFFAOYSA-N 0 0 442.471 4.677 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 ZINC000408894538 556880366 /nfs/dbraw/zinc/88/03/66/556880366.db2.gz RBFCCNIQXZOFCZ-PDGQHHTCSA-N 0 0 427.884 4.712 40 10 IJCBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O ZINC000408961941 556901139 /nfs/dbraw/zinc/90/11/39/556901139.db2.gz VTXQPCCYPHDYBO-STZFKDTASA-N 0 0 449.576 4.887 40 10 IJCBRN O=C1/C(=C\c2ccc(I)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970122 556904302 /nfs/dbraw/zinc/90/43/02/556904302.db2.gz BBHZINGNUKMICE-UVTDQMKNSA-N 0 0 442.178 4.640 40 10 IJCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000409002627 556915092 /nfs/dbraw/zinc/91/50/92/556915092.db2.gz OSXORZRJVPYRRP-LGFSDTAESA-N 0 0 444.491 4.813 40 10 IJCBRN COCCN1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409012607 556918743 /nfs/dbraw/zinc/91/87/43/556918743.db2.gz QWGLXZAIYBDEFG-QJOMJCCJSA-N 0 0 449.551 4.635 40 10 IJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2F)S1 ZINC000409090771 556951615 /nfs/dbraw/zinc/95/16/15/556951615.db2.gz QBBBRNYFGNHEJX-FRKPEAEDSA-N 0 0 439.295 4.818 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409100233 556955268 /nfs/dbraw/zinc/95/52/68/556955268.db2.gz TXZOSBXFVHNGTP-CIAFOILYSA-N 0 0 449.532 4.630 40 10 IJCBRN COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000409135106 556968857 /nfs/dbraw/zinc/96/88/57/556968857.db2.gz UKHAPTLSZXUGGQ-BOPFTXTBSA-N 0 0 435.343 4.539 40 10 IJCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000409199043 556991990 /nfs/dbraw/zinc/99/19/90/556991990.db2.gz NKYVIXSVLOSFGR-WOJGMQOQSA-N 0 0 425.491 4.811 40 10 IJCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CCOC)C2=O)c(OCc2ccccc2)c1 ZINC000409209450 557003429 /nfs/dbraw/zinc/00/34/29/557003429.db2.gz FMXUARVOAPGJRS-PXLXIMEGSA-N 0 0 440.565 4.795 40 10 IJCBRN O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1F ZINC000409326618 557061267 /nfs/dbraw/zinc/06/12/67/557061267.db2.gz COJSOFKWRQXTDC-UNOMPAQXSA-N 0 0 439.493 4.990 40 10 IJCBRN CC(C)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409329610 557064123 /nfs/dbraw/zinc/06/41/23/557064123.db2.gz GEQBKKZDCRORSG-WQRHYEAKSA-N 0 0 446.981 4.921 40 10 IJCBRN CCCN1C(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S ZINC000409333659 557066397 /nfs/dbraw/zinc/06/63/97/557066397.db2.gz UXPOKLSSEPOYNA-YVLHZVERSA-N 0 0 445.478 4.907 40 10 IJCBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)c1 ZINC000409344773 557071762 /nfs/dbraw/zinc/07/17/62/557071762.db2.gz KJRJOIHSAPQAFE-HYARGMPZSA-N 0 0 449.576 4.887 40 10 IJCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000409367874 557088685 /nfs/dbraw/zinc/08/86/85/557088685.db2.gz MVHWCKFKIQPZCL-VGOFMYFVSA-N 0 0 440.333 4.637 40 10 IJCBRN Cc1cccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000409368285 557088792 /nfs/dbraw/zinc/08/87/92/557088792.db2.gz WVLVVYSSJVOKFT-RIYZIHGNSA-N 0 0 439.349 4.635 40 10 IJCBRN C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218818395 557217688 /nfs/dbraw/zinc/21/76/88/557217688.db2.gz BIDAOHVDBPBMIL-SJORKVTESA-N 0 0 431.374 4.942 40 10 IJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218989840 557222579 /nfs/dbraw/zinc/22/25/79/557222579.db2.gz YJSBNFSOHBKEKP-UHFFFAOYSA-N 0 0 436.939 4.686 40 10 IJCBRN O=[N+]([O-])c1cc(Cl)c(/N=N/c2ccc(N(CCO)CCO)cc2Cl)c(Cl)c1 ZINC000100048620 557238835 /nfs/dbraw/zinc/23/88/35/557238835.db2.gz HXXLWTPFYWMBSC-QZQOTICOSA-N 0 0 433.679 4.761 40 10 IJCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1 ZINC000013025203 557274283 /nfs/dbraw/zinc/27/42/83/557274283.db2.gz STKCDDQFROBBOS-DEOSSOPVSA-N 0 0 449.526 4.932 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222618907 557362583 /nfs/dbraw/zinc/36/25/83/557362583.db2.gz SSPPVKGTRINDQQ-WADWEFIESA-N 0 0 432.549 4.807 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222619043 557362835 /nfs/dbraw/zinc/36/28/35/557362835.db2.gz SSPPVKGTRINDQQ-UQDCGMOVSA-N 0 0 432.549 4.807 40 10 IJCBRN O=C1/C(=C/c2cc(I)ccc2O)SC(=S)N1C1CCCCC1 ZINC000113830457 557377085 /nfs/dbraw/zinc/37/70/85/557377085.db2.gz NPBQGCBINPIEBE-ZROIWOOFSA-N 0 0 445.347 4.531 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Br ZINC000222740342 557381711 /nfs/dbraw/zinc/38/17/11/557381711.db2.gz TVBFFLHXIXNLEE-VQTJNVASSA-N 0 0 441.398 4.854 40 10 IJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222743194 557381987 /nfs/dbraw/zinc/38/19/87/557381987.db2.gz JNKRSKZYFGSYBH-RPWUZVMVSA-N 0 0 433.625 4.938 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 ZINC000222855333 557394715 /nfs/dbraw/zinc/39/47/15/557394715.db2.gz FUHGZLCLDIKFTL-GOTSBHOMSA-N 0 0 448.592 4.657 40 10 IJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 ZINC000222854808 557394728 /nfs/dbraw/zinc/39/47/28/557394728.db2.gz ZRHQXHHOINDEPY-XZOQPEGZSA-N 0 0 448.592 4.657 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCC)c1O ZINC000014406658 557443878 /nfs/dbraw/zinc/44/38/78/557443878.db2.gz VHLNBHGAOAXGNT-AQTBWJFISA-N 0 0 427.884 4.712 40 10 IJCBRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2O)cc1 ZINC000014607237 557447606 /nfs/dbraw/zinc/44/76/06/557447606.db2.gz XTSPTLRFDOWHLH-QHCPKHFHSA-N 0 0 426.476 4.678 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000223307355 557457457 /nfs/dbraw/zinc/45/74/57/557457457.db2.gz FUUQORFUJYLNAW-FTBPSBKWSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ncccc1C ZINC000223353310 557461654 /nfs/dbraw/zinc/46/16/54/557461654.db2.gz YSWYJBJVOBBINF-DHIUTWEWSA-N 0 0 443.576 4.958 40 10 IJCBRN CC(NCCc1cccs1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017097983 557480454 /nfs/dbraw/zinc/48/04/54/557480454.db2.gz VFEQIGCOVBOUGO-PGMHBOJBSA-N 0 0 432.505 4.514 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1c(C)cc(C)cc1C ZINC000223621280 557493024 /nfs/dbraw/zinc/49/30/24/557493024.db2.gz ROEZGOZHSOLMRZ-ZCYQVOJMSA-N 0 0 448.636 4.769 40 10 IJCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C ZINC000223622816 557493377 /nfs/dbraw/zinc/49/33/77/557493377.db2.gz NUVFVJOKAYLJQM-NOZRDPDXSA-N 0 0 448.636 4.715 40 10 IJCBRN COC(=O)c1cc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl ZINC000225691365 557764340 /nfs/dbraw/zinc/76/43/40/557764340.db2.gz RNAFIRDTWWMMKI-OAHLLOKOSA-N 0 0 431.989 4.850 40 10 IJCBRN CCN1C(=O)C(=Cc2cn(CCCOc3ccc(C)cc3)c3ccccc23)C(=O)NC1=S ZINC000059087104 557813776 /nfs/dbraw/zinc/81/37/76/557813776.db2.gz LCIUAAOEBRVRJW-RCCKNPSSSA-N 0 0 447.560 4.906 40 10 IJCBRN CCN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)NC1=S ZINC000059182256 557817752 /nfs/dbraw/zinc/81/77/52/557817752.db2.gz IBZQJWVXJDTTOY-XNTDXEJSSA-N 0 0 441.915 4.969 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000059435761 557820944 /nfs/dbraw/zinc/82/09/44/557820944.db2.gz YZEDETKRARWSQR-HAHDFKILSA-N 0 0 429.472 4.731 40 10 IJCBRN COc1ccccc1C=C1C(=O)N(c2ccccc2C)C(=O)N(c2ccccc2C)C1=O ZINC000059502697 557826665 /nfs/dbraw/zinc/82/66/65/557826665.db2.gz SEZLNZINYLUIPS-UHFFFAOYSA-N 0 0 426.472 4.895 40 10 IJCBRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000260735434 557851883 /nfs/dbraw/zinc/85/18/83/557851883.db2.gz IINUYFZWDVHNCY-KRWDZBQOSA-N 0 0 425.598 4.895 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000260912455 568629615 /nfs/dbraw/zinc/62/96/15/568629615.db2.gz FUUQORFUJYLNAW-IEZKXTBUSA-N 0 0 446.620 4.949 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000208537589 569261358 /nfs/dbraw/zinc/26/13/58/569261358.db2.gz CEQDJLAWUROERM-FYJGNVAPSA-N 0 0 443.459 4.989 40 10 IJCBRN COc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O ZINC000002965889 569433068 /nfs/dbraw/zinc/43/30/68/569433068.db2.gz DCGSTHMABJQKGJ-PDGQHHTCSA-N 0 0 435.954 4.637 40 10 IJCBRN COc1ccccc1/C=C1/SC(=S)N(CNc2ccc(Br)cc2)C1=O ZINC000003101219 569440189 /nfs/dbraw/zinc/44/01/89/569440189.db2.gz MEMBMPQPXYYZSX-MHWRWJLKSA-N 0 0 435.368 4.729 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000223307677 193965179 /nfs/dbraw/zinc/96/51/79/193965179.db2.gz PFBSTBZJCWGQBM-GVXSCFBNSA-N 0 0 446.620 4.949 40 10 IJCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408534770 555754283 /nfs/dbraw/zinc/75/42/83/555754283.db2.gz WVDZBBYMSMAFQN-RGEXLXHISA-N 0 0 444.539 4.594 40 10 IJCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1 ZINC000408578266 555918668 /nfs/dbraw/zinc/91/86/68/555918668.db2.gz WZOKRZWPYRZRSI-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN O=C(COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000408737714 556199610 /nfs/dbraw/zinc/19/96/10/556199610.db2.gz VRSJQDOATLHLIK-DXBVXKBHSA-N 0 0 440.543 4.904 40 10 IJCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC(C)=O ZINC000408741034 556213307 /nfs/dbraw/zinc/21/33/07/556213307.db2.gz GOJASVXGZGHRFC-LZYBPNLTSA-N 0 0 429.266 4.673 40 10 IJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cc(Cl)ccc2O)C1=O ZINC000008820626 556220835 /nfs/dbraw/zinc/22/08/35/556220835.db2.gz QPMXUVGATRJLNE-LDFNIPPCSA-N 0 0 444.965 4.832 40 10 IJCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1I ZINC000408744466 556225218 /nfs/dbraw/zinc/22/52/18/556225218.db2.gz YATHWIUNRXOVTJ-MDWZMJQESA-N 0 0 438.648 4.935 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408752577 556236368 /nfs/dbraw/zinc/23/63/68/556236368.db2.gz BXIIQXZKFJRVJU-PXLXIMEGSA-N 0 0 446.890 4.970 40 10 IJCBRN CCCCCOC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000009030102 556241688 /nfs/dbraw/zinc/24/16/88/556241688.db2.gz UWANYXKGLHBZAF-QINSGFPZSA-N 0 0 442.400 4.774 40 10 IJCBRN COCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000009189313 556252339 /nfs/dbraw/zinc/25/23/39/556252339.db2.gz VKWPUOLVAUYQEP-STZFKDTASA-N 0 0 443.590 4.820 40 10 IJCBRN CN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000012032455 556389204 /nfs/dbraw/zinc/38/92/04/556389204.db2.gz YNBATWRMPHVWPG-QGOAFFKASA-N 0 0 430.982 4.590 40 10 IJCBRN CN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000012032464 556389207 /nfs/dbraw/zinc/38/92/07/556389207.db2.gz OXLDVRURVCVMKK-XMHGGMMESA-N 0 0 445.009 4.980 40 10 IJCBRN CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1O)N(C(C)=O)c1ccccc1-2 ZINC000015015920 556485049 /nfs/dbraw/zinc/48/50/49/556485049.db2.gz UYIRMYVAZRZQSP-JOCHJYFZSA-N 0 0 436.537 4.971 40 10 IJCBRN CC(NCCc1c[nH]c2ccc(F)cc12)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000013626699 556537292 /nfs/dbraw/zinc/53/72/92/556537292.db2.gz RJEZTUQTZPBOHW-FYJGNVAPSA-N 0 0 433.512 4.746 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)[C@@H]1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000016607719 556617028 /nfs/dbraw/zinc/61/70/28/556617028.db2.gz TWBVNCGGUAANMN-VWLOTQADSA-N 0 0 426.564 4.989 40 10 IJCBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000044910687 556680632 /nfs/dbraw/zinc/68/06/32/556680632.db2.gz AXFYSTSSNLDJGE-UHFFFAOYSA-N 0 0 443.994 4.998 40 10 IJCBRN COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=S)NCc2ccco2)cc1 ZINC000000884112 556734156 /nfs/dbraw/zinc/73/41/56/556734156.db2.gz BHWSGFJRVAETDC-UHFFFAOYSA-N 0 0 447.560 4.515 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(C)cc2)cc1 ZINC000408758188 556847340 /nfs/dbraw/zinc/84/73/40/556847340.db2.gz HHFXFZYDVMAPHA-HZHRSRAPSA-N 0 0 428.488 4.855 40 10 IJCBRN Cc1cc(C)cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408885456 556877999 /nfs/dbraw/zinc/87/79/99/556877999.db2.gz AGGHVRMAGIZYLA-ZHZULCJRSA-N 0 0 444.462 4.688 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)C(C(=O)OC)=C2C)cc1 ZINC000408893130 556881734 /nfs/dbraw/zinc/88/17/34/556881734.db2.gz KTHTVMUWICYHJJ-UYRXBGFRSA-N 0 0 442.309 4.725 40 10 IJCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1C ZINC000408902217 556885028 /nfs/dbraw/zinc/88/50/28/556885028.db2.gz MBNNRZDJMWJCFN-HZHRSRAPSA-N 0 0 427.504 4.995 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000409000141 556914043 /nfs/dbraw/zinc/91/40/43/556914043.db2.gz XFQDNYACRRXJFX-BOPFTXTBSA-N 0 0 432.303 4.875 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000409017643 556919585 /nfs/dbraw/zinc/91/95/85/556919585.db2.gz GIFOCNKIEUGCRX-ZDLGFXPLSA-N 0 0 427.884 4.543 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O ZINC000409013778 556920099 /nfs/dbraw/zinc/92/00/99/556920099.db2.gz VJOLJFKAXSBZLU-NNIWKIFQSA-N 0 0 440.565 4.953 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000409018918 556923782 /nfs/dbraw/zinc/92/37/82/556923782.db2.gz WYJVDCJBCOKPGW-UNOMPAQXSA-N 0 0 426.310 4.943 40 10 IJCBRN CCN1C(=O)/C(=C\c2cccn2-c2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409019960 556924330 /nfs/dbraw/zinc/92/43/30/556924330.db2.gz LCJSFZJVSQEBNW-HMMYKYKNSA-N 0 0 435.936 4.694 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OC ZINC000409034544 556928194 /nfs/dbraw/zinc/92/81/94/556928194.db2.gz HLBMMBJLNLKRFO-RUDMXATFSA-N 0 0 446.759 4.859 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000409052042 556933368 /nfs/dbraw/zinc/93/33/68/556933368.db2.gz GBHWNLMLQWHERP-GDNBJRDFSA-N 0 0 448.302 4.888 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Br ZINC000409095048 556950317 /nfs/dbraw/zinc/95/03/17/556950317.db2.gz GLVPGIWKOBERCC-LDADJPATSA-N 0 0 446.320 4.527 40 10 IJCBRN O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1C[C@H]1CCCO1 ZINC000409090768 556951661 /nfs/dbraw/zinc/95/16/61/556951661.db2.gz ONEHQUHIGOEPKT-SYERDGIWSA-N 0 0 429.538 4.785 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409171849 556983757 /nfs/dbraw/zinc/98/37/57/556983757.db2.gz BZJITOFPPWASQT-HYARGMPZSA-N 0 0 434.927 4.911 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1O ZINC000409181899 556989744 /nfs/dbraw/zinc/98/97/44/556989744.db2.gz GPDNSKUGAAHTSH-VIZOYTHASA-N 0 0 425.890 4.608 40 10 IJCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000409210553 557005090 /nfs/dbraw/zinc/00/50/90/557005090.db2.gz KWAUXGFXRGOXIT-QPEQYQDCSA-N 0 0 428.318 4.628 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br ZINC000409236220 557018178 /nfs/dbraw/zinc/01/81/78/557018178.db2.gz FBUVVRGZCDLZSI-CPNJWEJPSA-N 0 0 442.357 4.697 40 10 IJCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409233480 557024985 /nfs/dbraw/zinc/02/49/85/557024985.db2.gz KSAKKUWSDPADAV-ODLFYWEKSA-N 0 0 441.318 4.889 40 10 IJCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)SC1=S ZINC000409327722 557062325 /nfs/dbraw/zinc/06/23/25/557062325.db2.gz LTVMDYXXGKQOGM-UYRXBGFRSA-N 0 0 426.563 4.624 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OC)c1 ZINC000409335652 557072519 /nfs/dbraw/zinc/07/25/19/557072519.db2.gz YAYNIRCHBFUXPN-CXUHLZMHSA-N 0 0 436.352 4.872 40 10 IJCBRN CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)SC1=S ZINC000409345804 557081959 /nfs/dbraw/zinc/08/19/59/557081959.db2.gz MBMLJIWLISNWAS-CPNJWEJPSA-N 0 0 426.563 4.624 40 10 IJCBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)c1 ZINC000409361013 557086941 /nfs/dbraw/zinc/08/69/41/557086941.db2.gz PRYPSRDUIYGETD-HYARGMPZSA-N 0 0 449.576 4.887 40 10 IJCBRN COC(=O)c1ccc(Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)o1 ZINC000409394212 557098056 /nfs/dbraw/zinc/09/80/56/557098056.db2.gz XFKAJGZWYZSQSI-HYARGMPZSA-N 0 0 439.471 4.875 40 10 IJCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)cc1 ZINC000100161138 557245513 /nfs/dbraw/zinc/24/55/13/557245513.db2.gz YJBKORUNAYZNEE-UNOMPAQXSA-N 0 0 440.912 4.602 40 10 IJCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013025207 557274361 /nfs/dbraw/zinc/27/43/61/557274361.db2.gz ZAMPZNKOPLERGW-DEOSSOPVSA-N 0 0 449.526 4.932 40 10 IJCBRN O=C1/C(=C\c2cc(I)ccc2O)SC(=S)N1C1CCCCC1 ZINC000113830459 557306950 /nfs/dbraw/zinc/30/69/50/557306950.db2.gz NPBQGCBINPIEBE-NTEUORMPSA-N 0 0 445.347 4.531 40 10 IJCBRN CC1=CSC2=NC(=O)/C(=C\c3c(-c4ccccc4)nc4sc(C5CC5)nn34)C(=N)N12 ZINC000102470646 557324295 /nfs/dbraw/zinc/32/42/95/557324295.db2.gz HCFNAPOOXVUEMP-UJADIJFVSA-N 0 0 432.534 4.502 40 10 IJCBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000013549092 557351091 /nfs/dbraw/zinc/35/10/91/557351091.db2.gz YVRIPMLUQIMGOE-YBEGLDIGSA-N 0 0 435.119 4.930 40 10 IJCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222746950 557382482 /nfs/dbraw/zinc/38/24/82/557382482.db2.gz PKKCTANAJUGYSV-NHCUHLMSSA-N 0 0 426.973 4.753 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222878013 557396860 /nfs/dbraw/zinc/39/68/60/557396860.db2.gz FJUYAYKUAXCHIS-ZEQRLZLVSA-N 0 0 433.625 4.938 40 10 IJCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCOC)c1C ZINC000223016906 557415821 /nfs/dbraw/zinc/41/58/21/557415821.db2.gz WTAUOUCBXLHMQE-ZCYQVOJMSA-N 0 0 448.636 4.979 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223051100 557421505 /nfs/dbraw/zinc/42/15/05/557421505.db2.gz ZTLXEIYVOREWAU-DNQXCXABSA-N 0 0 434.609 4.807 40 10 IJCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1ccccc1 ZINC000223480006 557477245 /nfs/dbraw/zinc/47/72/45/557477245.db2.gz VBYDZDAKRWBBLT-BJKOFHAPSA-N 0 0 425.561 4.748 40 10 IJCBRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C ZINC000223610003 557491620 /nfs/dbraw/zinc/49/16/20/557491620.db2.gz YCYIJDWXXOXQBA-UHFFFAOYSA-N 0 0 429.925 4.997 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1O ZINC000028963909 557739001 /nfs/dbraw/zinc/73/90/01/557739001.db2.gz LAFYDLKBZWAKHN-DHDCSXOGSA-N 0 0 436.352 4.878 40 10 IJCBRN COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225691410 557764435 /nfs/dbraw/zinc/76/44/35/557764435.db2.gz XKOJVUGTTJIGSZ-OAHLLOKOSA-N 0 0 431.989 4.850 40 10 IJCBRN CCOC(=O)c1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1Cl ZINC000225746601 557772191 /nfs/dbraw/zinc/77/21/91/557772191.db2.gz ONBNHGSKPHPCTR-UHFFFAOYSA-N 0 0 431.989 4.646 40 10 IJCBRN O=C1C(=Cc2ccc(N3CCCCC3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000059138004 557816277 /nfs/dbraw/zinc/81/62/77/557816277.db2.gz WBGALOIEYOSNMK-UHFFFAOYSA-N 0 0 441.487 4.853 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC(C)=O ZINC000059418129 557823158 /nfs/dbraw/zinc/82/31/58/557823158.db2.gz ICOGHOPYQBZLFS-RQZCQDPDSA-N 0 0 449.937 4.688 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260916231 568629982 /nfs/dbraw/zinc/62/99/82/568629982.db2.gz ICJFRMZOMBNEMO-DHIUTWEWSA-N 0 0 436.625 4.722 40 10 IJCBRN Cc1ccc(OCCOCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1C ZINC000027835202 568864056 /nfs/dbraw/zinc/86/40/56/568864056.db2.gz IIITXRLLMZBVSY-QNGOZBTKSA-N 0 0 443.590 4.609 40 10 IJCBRN CCOC(=O)C1=C(C)NC(SCc2cccc(F)c2)=N[C@@H]1c1ccc(N(C)C)cc1 ZINC000034782002 569260101 /nfs/dbraw/zinc/26/01/01/569260101.db2.gz QKJIRZVJDUCYNI-OAQYLSRUSA-N 0 0 427.545 4.663 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2ccccc2Cl)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000041076260 569526396 /nfs/dbraw/zinc/52/63/96/569526396.db2.gz ZNGILVAWTGEORK-GSLRTKOCSA-N 0 0 445.935 4.993 40 10 IJCBRN CC1=NN(c2cccc(C)c2)C(=O)C1=CN=c1[nH]c2ccc(Br)cc2s1 ZINC000408537080 569583584 /nfs/dbraw/zinc/58/35/84/569583584.db2.gz ZAEBHIPXOWMLBY-GDNBJRDFSA-N 0 0 427.327 5.086 40 10 IJCBRN O=C(Cc1nc2cc(Cl)c(Cl)cc2nc1CC(=O)c1ccncc1)c1ccncc1 ZINC000000644131 193868815 /nfs/dbraw/zinc/86/88/15/193868815.db2.gz DMSJIHJEDWDLII-UHFFFAOYSA-N 0 0 437.286 4.577 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000223307262 193964764 /nfs/dbraw/zinc/96/47/64/193964764.db2.gz XHXUELQOWWUDDA-OPXMRZJTSA-N 0 0 446.620 4.949 40 10 IJCBRN CN1C(=O)C(=C2SC(Nc3ccc(Cl)cc3)=NC2=O)c2cc(Br)ccc21 ZINC000012278511 524032027 /nfs/dbraw/zinc/03/20/27/524032027.db2.gz UBPAKPKKYLCLMA-PFONDFGASA-N 0 0 448.729 4.532 40 10 IJCBRN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408528302 555725114 /nfs/dbraw/zinc/72/51/14/555725114.db2.gz FSXCPFSMTTUCJI-JXAWBTAJSA-N 0 0 444.539 4.594 40 10 IJCBRN COc1ccc(N2CCN(C(=S)c3cccc(OCc4ccc(F)cc4)c3)CC2)cc1 ZINC000408573171 555915600 /nfs/dbraw/zinc/91/56/00/555915600.db2.gz IQZISDKRLLYQMG-UHFFFAOYSA-N 0 0 436.552 4.911 40 10 IJCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1 ZINC000408575347 555925962 /nfs/dbraw/zinc/92/59/62/555925962.db2.gz NXVCKWABTJPEAN-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000408587176 555939759 /nfs/dbraw/zinc/93/97/59/555939759.db2.gz RSNIFOIDWQCEPT-AQTBWJFISA-N 0 0 442.309 4.725 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 ZINC000408643957 556024163 /nfs/dbraw/zinc/02/41/63/556024163.db2.gz CYJBYFBVHCVNLI-UHFFFAOYSA-N 0 0 448.519 4.702 40 10 IJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000408644818 556025103 /nfs/dbraw/zinc/02/51/03/556025103.db2.gz HNXOLBBGUZLZMJ-UHFFFAOYSA-N 0 0 441.325 4.961 40 10 IJCBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(-n2c(C)ccc2C)c1 ZINC000408707941 556113820 /nfs/dbraw/zinc/11/38/20/556113820.db2.gz MTTNOKVBSRSISP-FQEVSTJZSA-N 0 0 431.536 4.711 40 10 IJCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1ccccc1 ZINC000008819701 556219531 /nfs/dbraw/zinc/21/95/31/556219531.db2.gz VZNMIZDFYHFYBR-UZYVYHOESA-N 0 0 438.618 4.807 40 10 IJCBRN CCCCc1ccc(N2C(=O)/C(=C3\c4ccccc4N(C(C)=O)C3=O)SC2=S)cc1 ZINC000008821621 556223305 /nfs/dbraw/zinc/22/33/05/556223305.db2.gz FFDHAYSVFXMYPO-VXPUYCOJSA-N 0 0 436.558 4.698 40 10 IJCBRN Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C)cc4)C3=O)SC2=S)cc1 ZINC000008870032 556228938 /nfs/dbraw/zinc/22/89/38/556228938.db2.gz BTWNIZZYUZTNLC-FOCLMDBBSA-N 0 0 442.612 4.945 40 10 IJCBRN CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000008951782 556235804 /nfs/dbraw/zinc/23/58/04/556235804.db2.gz RFYKZCVNMZOIFG-QGOAFFKASA-N 0 0 446.981 4.969 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2F)cc1 ZINC000408756089 556239111 /nfs/dbraw/zinc/23/91/11/556239111.db2.gz XMAIHJDSPQMXPG-PXLXIMEGSA-N 0 0 431.423 4.967 40 10 IJCBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000408756109 556239545 /nfs/dbraw/zinc/23/95/45/556239545.db2.gz HKWHRDUZZBQNOQ-MTJSOVHGSA-N 0 0 435.871 4.857 40 10 IJCBRN O=C(Nc1cccc(Cl)c1)NN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S ZINC000009234512 556263071 /nfs/dbraw/zinc/26/30/71/556263071.db2.gz IJEHNSGSNYHXTC-LZYBPNLTSA-N 0 0 428.926 4.759 40 10 IJCBRN COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 ZINC000009444618 556292060 /nfs/dbraw/zinc/29/20/60/556292060.db2.gz AWYIYAAVBPCJDG-LDADJPATSA-N 0 0 446.981 4.969 40 10 IJCBRN CC(=O)N(c1nc2ccccc2s1)N1C(=O)C(=CNc2ccc(C)cc2)SC1=S ZINC000028294971 556451444 /nfs/dbraw/zinc/45/14/44/556451444.db2.gz SSPKIQIAKDVAFY-BOPFTXTBSA-N 0 0 440.575 4.686 40 10 IJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000032124568 556533451 /nfs/dbraw/zinc/53/34/51/556533451.db2.gz KFGQDQVSJFTEEF-WOJGMQOQSA-N 0 0 446.575 4.702 40 10 IJCBRN C[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455454 556720506 /nfs/dbraw/zinc/72/05/06/556720506.db2.gz RTGABNKHGOSTFK-OALUTQOASA-N 0 0 427.548 4.914 40 10 IJCBRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1OC ZINC000260466090 556721336 /nfs/dbraw/zinc/72/13/36/556721336.db2.gz CNTFHYDTANKRLW-YOYDVCCWSA-N 0 0 438.568 4.839 40 10 IJCBRN CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000000924818 556752263 /nfs/dbraw/zinc/75/22/63/556752263.db2.gz VFNHHUIJWQMRJP-OAQYLSRUSA-N 0 0 435.549 4.663 40 10 IJCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408773862 556848194 /nfs/dbraw/zinc/84/81/94/556848194.db2.gz XSDNHTUGAZVZDZ-NLRVBDNBSA-N 0 0 440.547 4.737 40 10 IJCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)cc1 ZINC000408788673 556855901 /nfs/dbraw/zinc/85/59/01/556855901.db2.gz FXWDQDRUPXYXKN-JKALPCAWSA-N 0 0 432.387 4.677 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408842465 556868107 /nfs/dbraw/zinc/86/81/07/556868107.db2.gz NYGSSWXWXFCZOW-CJLVFECKSA-N 0 0 426.472 4.625 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccccc1F ZINC000408936644 556895920 /nfs/dbraw/zinc/89/59/20/556895920.db2.gz HCIRAPAURWSXJP-KGENOOAVSA-N 0 0 444.462 4.855 40 10 IJCBRN CCCOc1c(Cl)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC ZINC000408946167 556897560 /nfs/dbraw/zinc/89/75/60/556897560.db2.gz YIVCAUQEWBVDOT-LDADJPATSA-N 0 0 426.900 4.969 40 10 IJCBRN COc1cc(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1O ZINC000408968838 556903900 /nfs/dbraw/zinc/90/39/00/556903900.db2.gz BZHYQEZNGMVCQZ-JYRVWZFOSA-N 0 0 441.203 4.512 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000408979404 556908723 /nfs/dbraw/zinc/90/87/23/556908723.db2.gz QJZUQAMJVFSNME-ZSOIEALJSA-N 0 0 434.275 4.585 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(OC)cc2)cc1 ZINC000408999558 556914072 /nfs/dbraw/zinc/91/40/72/556914072.db2.gz WVPWBYJCVHBRBL-HYARGMPZSA-N 0 0 442.471 4.657 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409014183 556920191 /nfs/dbraw/zinc/92/01/91/556920191.db2.gz GDMRUGYXKUERPB-IWIPYMOSSA-N 0 0 440.499 4.533 40 10 IJCBRN Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000409092074 556952214 /nfs/dbraw/zinc/95/22/14/556952214.db2.gz SSRXWTSHFQAFBR-IAFWPLRWSA-N 0 0 425.575 4.954 40 10 IJCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O ZINC000409131447 556963131 /nfs/dbraw/zinc/96/31/31/556963131.db2.gz VTLORDTXQOYBPA-WOJGMQOQSA-N 0 0 449.370 4.848 40 10 IJCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)N(C)C1=S ZINC000409125647 556965188 /nfs/dbraw/zinc/96/51/88/556965188.db2.gz DOUYINQIWSTGIH-WQRHYEAKSA-N 0 0 432.387 4.585 40 10 IJCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409127056 556965821 /nfs/dbraw/zinc/96/58/21/556965821.db2.gz CRTVFHGSHYBTSU-UNOMPAQXSA-N 0 0 432.904 4.552 40 10 IJCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 ZINC000409182777 556990025 /nfs/dbraw/zinc/99/00/25/556990025.db2.gz NVSMMNHWEBOESG-CQWCOOMLSA-N 0 0 430.464 4.675 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)N(c3ccccc3)C2=S)cc1 ZINC000020176497 556995107 /nfs/dbraw/zinc/99/51/07/556995107.db2.gz LUDRUBJAQSVJNU-HKWRFOASSA-N 0 0 434.542 4.895 40 10 IJCBRN Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccn1 ZINC000409234408 557025535 /nfs/dbraw/zinc/02/55/35/557025535.db2.gz WKNAOIFDVGRMAS-UNOMPAQXSA-N 0 0 434.477 4.634 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409255862 557034690 /nfs/dbraw/zinc/03/46/90/557034690.db2.gz ZXXKBKOECHIDFI-CPNJWEJPSA-N 0 0 443.956 4.861 40 10 IJCBRN O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409346494 557074834 /nfs/dbraw/zinc/07/48/34/557074834.db2.gz LAYHERUWPAJTTD-ZSOIEALJSA-N 0 0 439.287 4.902 40 10 IJCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000409349551 557077484 /nfs/dbraw/zinc/07/74/84/557077484.db2.gz QAAZYCZOFGVCOE-DEDYPNTBSA-N 0 0 435.526 4.797 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)c(OCC)c3)SC2=S)cc1 ZINC000409352011 557079618 /nfs/dbraw/zinc/07/96/18/557079618.db2.gz VNOXUFREIGXTFJ-DEDYPNTBSA-N 0 0 443.546 4.815 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000409370366 557089337 /nfs/dbraw/zinc/08/93/37/557089337.db2.gz PRCRCPWEWWAYRP-STZFKDTASA-N 0 0 429.472 4.734 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000001091162 557121046 /nfs/dbraw/zinc/12/10/46/557121046.db2.gz DKTPBPYQCCLQPQ-KGENOOAVSA-N 0 0 432.863 4.667 40 10 IJCBRN C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218051287 557176105 /nfs/dbraw/zinc/17/61/05/557176105.db2.gz WUZFWTQXZKGOQT-SFHVURJKSA-N 0 0 427.570 4.942 40 10 IJCBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(OC)c1OC ZINC000218187735 557180997 /nfs/dbraw/zinc/18/09/97/557180997.db2.gz CNTFHYDTANKRLW-IQUSIQNSSA-N 0 0 438.568 4.839 40 10 IJCBRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(OC)c1OC ZINC000218187795 557181035 /nfs/dbraw/zinc/18/10/35/557181035.db2.gz CNTFHYDTANKRLW-JIEALELQSA-N 0 0 438.568 4.839 40 10 IJCBRN O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1c1cccc(O)c1 ZINC000102721115 557306243 /nfs/dbraw/zinc/30/62/43/557306243.db2.gz INWMMRMLTWXYBG-FMQZQXMHSA-N 0 0 442.905 4.728 40 10 IJCBRN COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3nc(Cl)n(C)c3c2)c1C ZINC000222563108 557352800 /nfs/dbraw/zinc/35/28/00/557352800.db2.gz HRJQXUOCTLCVPA-UHFFFAOYSA-N 0 0 436.943 4.915 40 10 IJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000222970085 557409802 /nfs/dbraw/zinc/40/98/02/557409802.db2.gz HGDSEZFRWZSUSR-DNQXCXABSA-N 0 0 448.592 4.990 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000223009164 557415021 /nfs/dbraw/zinc/41/50/21/557415021.db2.gz LREXXCJUHPAWMS-VXKWHMMOSA-N 0 0 441.000 4.761 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cc(C)ccn1 ZINC000223353115 557461361 /nfs/dbraw/zinc/46/13/61/557461361.db2.gz WDRWRRDLRZBPPQ-RPWUZVMVSA-N 0 0 443.576 4.958 40 10 IJCBRN CCN1C(=O)C(=Cc2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C(=O)N(CC)C1=S ZINC000223563615 557486818 /nfs/dbraw/zinc/48/68/18/557486818.db2.gz WCZOBKYBGPAHFI-MRXNPFEDSA-N 0 0 427.614 4.566 40 10 IJCBRN COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O ZINC000223610909 557491537 /nfs/dbraw/zinc/49/15/37/557491537.db2.gz MVIYVTHUAYPUJC-RPJLVFAOSA-N 0 0 430.570 4.705 40 10 IJCBRN COc1ccc(CCNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 ZINC000019634215 557502499 /nfs/dbraw/zinc/50/24/99/557502499.db2.gz ULHIZDHXSUISFE-PLRJNAJWSA-N 0 0 441.531 4.561 40 10 IJCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ncc(Cl)cc1Br ZINC000223949223 557533086 /nfs/dbraw/zinc/53/30/86/557533086.db2.gz YAWZBWVATOAICJ-UHFFFAOYSA-N 0 0 425.783 4.584 40 10 IJCBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000034657391 557811298 /nfs/dbraw/zinc/81/12/98/557811298.db2.gz RDQPKLKVYRACEJ-GSHUGGBRSA-N 0 0 448.515 4.623 40 10 IJCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000059138738 557816315 /nfs/dbraw/zinc/81/63/15/557816315.db2.gz OKLLCJKEMWZFEC-PXLXIMEGSA-N 0 0 427.504 4.720 40 10 IJCBRN CC1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2cccc3cccnc32)C(=O)O1 ZINC000059488619 557825652 /nfs/dbraw/zinc/82/56/52/557825652.db2.gz GQDMHNLGOXILLB-UHFFFAOYSA-N 0 0 436.445 4.514 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000001276955 568775852 /nfs/dbraw/zinc/77/58/52/568775852.db2.gz OFQAEYCVUHQPGH-NCUBORBFSA-N 0 0 447.965 4.682 40 10 IJCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(I)o3)SC2=S)c1 ZINC000206207235 569261229 /nfs/dbraw/zinc/26/12/29/569261229.db2.gz XDNSRUDYWDBRBJ-XYOKQWHBSA-N 0 0 427.288 4.598 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cc(C)ccn1 ZINC000223353058 193969962 /nfs/dbraw/zinc/96/99/62/193969962.db2.gz WDRWRRDLRZBPPQ-DNQXCXABSA-N 0 0 443.576 4.958 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C)cn1 ZINC000223353558 193969999 /nfs/dbraw/zinc/96/99/99/193969999.db2.gz YPIGWDKILOOYQE-DNQXCXABSA-N 0 0 443.576 4.958 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4c(C)cccc4C)cc3)C(=N)N2O1 ZINC000041082667 520851309 /nfs/dbraw/zinc/85/13/09/520851309.db2.gz NMXADKBDHGKUNI-LLLXPECQSA-N 0 0 431.492 4.602 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(c3ccccc3F)=NN21 ZINC000041108199 526837633 /nfs/dbraw/zinc/83/76/33/526837633.db2.gz BNMMFDFXQUAWMC-IDSPKZQESA-N 0 0 449.898 4.937 40 10 IJCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000001851150 555720581 /nfs/dbraw/zinc/72/05/81/555720581.db2.gz CXYIZWNPGBQSMM-NTUHNPAUSA-N 0 0 429.375 4.895 40 10 IJCBRN CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1 ZINC000408571914 555915357 /nfs/dbraw/zinc/91/53/57/555915357.db2.gz DGTXQBZUZAWEDE-MOSHPQCFSA-N 0 0 440.590 4.876 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)SC1=S ZINC000408578321 555918906 /nfs/dbraw/zinc/91/89/06/555918906.db2.gz XLFCJMFUINCZDP-ZDLGFXPLSA-N 0 0 446.981 4.967 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000408582942 555934249 /nfs/dbraw/zinc/93/42/49/555934249.db2.gz GHWXRYGMODGUAT-SXGWCWSVSA-N 0 0 433.247 4.779 40 10 IJCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000035352615 556081054 /nfs/dbraw/zinc/08/10/54/556081054.db2.gz PFDZARKWGMIDFB-NDENLUEZSA-N 0 0 441.484 4.879 40 10 IJCBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(-n2c(C)ccc2C)c1 ZINC000408706574 556113532 /nfs/dbraw/zinc/11/35/32/556113532.db2.gz BSLDJTFLWNEFPB-QGZVFWFLSA-N 0 0 437.927 4.748 40 10 IJCBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(-n2c(C)ccc2C)c1 ZINC000408707945 556113769 /nfs/dbraw/zinc/11/37/69/556113769.db2.gz MTTNOKVBSRSISP-HXUWFJFHSA-N 0 0 431.536 4.711 40 10 IJCBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(-n2c(C)ccc2C)c1 ZINC000408709073 556116384 /nfs/dbraw/zinc/11/63/84/556116384.db2.gz WYCHKTADYKWZRJ-QGZVFWFLSA-N 0 0 437.927 4.748 40 10 IJCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408732823 556199262 /nfs/dbraw/zinc/19/92/62/556199262.db2.gz UBPSZRCNVJYQLA-UHFFFAOYSA-N 0 0 449.535 4.726 40 10 IJCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1nc2ccccc2s1 ZINC000008819273 556219003 /nfs/dbraw/zinc/21/90/03/556219003.db2.gz XHEUUUFVTZUYEI-WJDWOHSUSA-N 0 0 443.550 4.665 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408756820 556236504 /nfs/dbraw/zinc/23/65/04/556236504.db2.gz XPWVZSCHECZXOK-KGENOOAVSA-N 0 0 432.863 4.667 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(C)cc2)cc1 ZINC000408755438 556238259 /nfs/dbraw/zinc/23/82/59/556238259.db2.gz NRMRMKQPAIPNFN-HYARGMPZSA-N 0 0 426.472 4.957 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408755459 556238313 /nfs/dbraw/zinc/23/83/13/556238313.db2.gz VAIWEGCDPRNLIE-HZHRSRAPSA-N 0 0 428.488 4.855 40 10 IJCBRN O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S)c1ccccc1 ZINC000009188723 556251727 /nfs/dbraw/zinc/25/17/27/556251727.db2.gz GUBPVGPMZGIYAC-QNGOZBTKSA-N 0 0 446.553 4.812 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000015012810 556483718 /nfs/dbraw/zinc/48/37/18/556483718.db2.gz WEDREYDGIYBDFF-LFVJCYFKSA-N 0 0 425.488 4.819 40 10 IJCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000032109985 556530331 /nfs/dbraw/zinc/53/03/31/556530331.db2.gz OZMNMVOXTIPBIH-VCHYOVAHSA-N 0 0 448.903 4.563 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(F)cc2)cc1 ZINC000408766422 556829836 /nfs/dbraw/zinc/82/98/36/556829836.db2.gz QIJHQVZRURRXBX-FYJGNVAPSA-N 0 0 430.435 4.788 40 10 IJCBRN COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc(O)cc1 ZINC000408844215 556868317 /nfs/dbraw/zinc/86/83/17/556868317.db2.gz OWSWSLHRTUQRCA-XSFVSMFZSA-N 0 0 449.304 4.998 40 10 IJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408944753 556897403 /nfs/dbraw/zinc/89/74/03/556897403.db2.gz UZIMOJDDPNNGMF-HZHRSRAPSA-N 0 0 441.443 4.616 40 10 IJCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 ZINC000408962268 556901383 /nfs/dbraw/zinc/90/13/83/556901383.db2.gz XVWNNCQOMFAWNY-STZFKDTASA-N 0 0 435.549 4.579 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000408985342 556908990 /nfs/dbraw/zinc/90/89/90/556908990.db2.gz KKYCDMYWOLHEPT-UNOMPAQXSA-N 0 0 426.310 4.630 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000409022394 556922716 /nfs/dbraw/zinc/92/27/16/556922716.db2.gz MWBNXAHLYHQJAQ-IUXPMGMMSA-N 0 0 448.302 4.888 40 10 IJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(OC)c(Cl)c2)C(C)=C1C(=O)OC ZINC000409023381 556923563 /nfs/dbraw/zinc/92/35/63/556923563.db2.gz LSSDLZSAPXZBEJ-ATVHPVEESA-N 0 0 427.884 4.625 40 10 IJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409033414 556927468 /nfs/dbraw/zinc/92/74/68/556927468.db2.gz LGNKQOONTFJJBV-XBXARRHUSA-N 0 0 431.704 4.750 40 10 IJCBRN CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409041074 556928005 /nfs/dbraw/zinc/92/80/05/556928005.db2.gz ICNHVGPVQYNKMO-RIYZIHGNSA-N 0 0 439.682 4.712 40 10 IJCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000409060340 556937343 /nfs/dbraw/zinc/93/73/43/556937343.db2.gz QDEDYBJMLIDRMP-ODLFYWEKSA-N 0 0 442.943 4.837 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O ZINC000409073845 556946732 /nfs/dbraw/zinc/94/67/32/556946732.db2.gz IYIKHUPALQMZHK-XKYMITNMSA-N 0 0 432.929 4.654 40 10 IJCBRN O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409082172 556947877 /nfs/dbraw/zinc/94/78/77/556947877.db2.gz RXHPXWIOHFKVQM-SCWSXOCZSA-N 0 0 429.538 4.785 40 10 IJCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)cc1 ZINC000409136192 556969604 /nfs/dbraw/zinc/96/96/04/556969604.db2.gz RKJRMGHFLQYAES-RCCKNPSSSA-N 0 0 427.570 4.623 40 10 IJCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)S1)c1ccccc1 ZINC000409147613 556973347 /nfs/dbraw/zinc/97/33/47/556973347.db2.gz VLJBANIECKPKLU-STZFKDTASA-N 0 0 432.476 4.805 40 10 IJCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409201636 557000879 /nfs/dbraw/zinc/00/08/79/557000879.db2.gz NFADPPQFTGBFMG-ZHZULCJRSA-N 0 0 433.558 4.895 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000409330178 557064725 /nfs/dbraw/zinc/06/47/25/557064725.db2.gz KBNSYVDTIJQFJT-VXLYETTFSA-N 0 0 429.519 4.619 40 10 IJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)SC2=S)c(C)c1 ZINC000409332872 557066182 /nfs/dbraw/zinc/06/61/82/557066182.db2.gz SITYJJJXVFBSTA-MDWZMJQESA-N 0 0 441.315 4.907 40 10 IJCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O ZINC000409347302 557075197 /nfs/dbraw/zinc/07/51/97/557075197.db2.gz PBEWCMBRUHSSPY-OQLLNIDSSA-N 0 0 436.898 4.758 40 10 IJCBRN O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001168314 557119690 /nfs/dbraw/zinc/11/96/90/557119690.db2.gz MNKXVHNPZQAWAW-OQLLNIDSSA-N 0 0 441.783 4.604 40 10 IJCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)c(OC)c1 ZINC000103918569 557140268 /nfs/dbraw/zinc/14/02/68/557140268.db2.gz DNHSZWBWBGFPTL-JCMHNJIXSA-N 0 0 439.512 4.610 40 10 IJCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)c(OC)c1 ZINC000103918574 557140290 /nfs/dbraw/zinc/14/02/90/557140290.db2.gz CSQPBLSVPLFIRE-STZFKDTASA-N 0 0 427.476 4.740 40 10 IJCBRN C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218818198 557217656 /nfs/dbraw/zinc/21/76/56/557217656.db2.gz LXKPMKQEPIFHLA-KRWDZBQOSA-N 0 0 431.374 4.942 40 10 IJCBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1 ZINC000112293510 557239267 /nfs/dbraw/zinc/23/92/67/557239267.db2.gz GCLWBGBOLZBLCK-ODLFYWEKSA-N 0 0 436.270 4.784 40 10 IJCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000113830927 557306967 /nfs/dbraw/zinc/30/69/67/557306967.db2.gz BGDBSGPWVFHIQU-XSFVSMFZSA-N 0 0 443.590 4.939 40 10 IJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222743325 557381858 /nfs/dbraw/zinc/38/18/58/557381858.db2.gz JNKRSKZYFGSYBH-ZEQRLZLVSA-N 0 0 433.625 4.938 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222832765 557391415 /nfs/dbraw/zinc/39/14/15/557391415.db2.gz LRUPHONOIYTRJY-BJKOFHAPSA-N 0 0 433.625 4.936 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 ZINC000222855184 557394803 /nfs/dbraw/zinc/39/48/03/557394803.db2.gz FUHGZLCLDIKFTL-DHIUTWEWSA-N 0 0 448.592 4.657 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 ZINC000222855278 557394832 /nfs/dbraw/zinc/39/48/32/557394832.db2.gz FUHGZLCLDIKFTL-XZOQPEGZSA-N 0 0 448.592 4.657 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000223009020 557415043 /nfs/dbraw/zinc/41/50/43/557415043.db2.gz XDZPSUXDBKUYHU-FCHUYYIVSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223014184 557415569 /nfs/dbraw/zinc/41/55/69/557415569.db2.gz CXQNAICRYGFFGN-DNQXCXABSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000223052674 557422168 /nfs/dbraw/zinc/42/21/68/557422168.db2.gz XOCCINZZQVYXQE-DHIUTWEWSA-N 0 0 438.572 4.637 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccn1 ZINC000223335579 557460255 /nfs/dbraw/zinc/46/02/55/557460255.db2.gz XAOFGEIQUKITGB-GOTSBHOMSA-N 0 0 429.549 4.650 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(O)cc1 ZINC000223347153 557461136 /nfs/dbraw/zinc/46/11/36/557461136.db2.gz FLHNKYHYZOGMFJ-DNQXCXABSA-N 0 0 444.560 4.960 40 10 IJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223366605 557463326 /nfs/dbraw/zinc/46/33/26/557463326.db2.gz XWCWIZUBEUHUCU-RPWUZVMVSA-N 0 0 444.560 4.955 40 10 IJCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1ccccc1 ZINC000223558752 557485864 /nfs/dbraw/zinc/48/58/64/557485864.db2.gz CNHUBVJCJAYNNH-ZEQRLZLVSA-N 0 0 425.561 4.748 40 10 IJCBRN CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000033458512 557808620 /nfs/dbraw/zinc/80/86/20/557808620.db2.gz SNCQXVLYGIRYJD-MHWRWJLKSA-N 0 0 434.336 4.780 40 10 IJCBRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000034657398 557811259 /nfs/dbraw/zinc/81/12/59/557811259.db2.gz RDQPKLKVYRACEJ-PNLZDCPESA-N 0 0 448.515 4.623 40 10 IJCBRN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000059138741 557816332 /nfs/dbraw/zinc/81/63/32/557816332.db2.gz UXDVJFJBGZIOJS-XQNSMLJCSA-N 0 0 427.504 4.665 40 10 IJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000059435796 557820832 /nfs/dbraw/zinc/82/08/32/557820832.db2.gz FMSVVNOWOGDQED-UNOMPAQXSA-N 0 0 446.330 4.917 40 10 IJCBRN CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)N1CCOCC1)c(O)c1ccccc21 ZINC000001448562 568908804 /nfs/dbraw/zinc/90/88/04/568908804.db2.gz YEPLREYRBNQPDU-QHCPKHFHSA-N 0 0 446.503 4.593 40 10 IJCBRN CC(/C=C1/SC(=S)N(CCCC(=O)Nc2cc(C)on2)C1=O)=C/c1ccccc1 ZINC000026779782 568916711 /nfs/dbraw/zinc/91/67/11/568916711.db2.gz QIOSKJMSVOPQMK-HLXKFHDQSA-N 0 0 427.551 4.549 40 10 IJCBRN CC[C@@H](C)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 ZINC000033634687 569259449 /nfs/dbraw/zinc/25/94/49/569259449.db2.gz IDNZEJXWJIUWNY-GJQHCVRFSA-N 0 0 429.520 4.733 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000033714353 569259676 /nfs/dbraw/zinc/25/96/76/569259676.db2.gz HVLGLWAGMIIFSU-QNGOZBTKSA-N 0 0 427.456 4.504 40 10 IJCBRN O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000040006342 569260313 /nfs/dbraw/zinc/26/03/13/569260313.db2.gz ORRYOETVUMCENZ-BDBXIWDTSA-N 0 0 429.538 4.785 40 10 IJCBRN CCC1=NN2C(=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)C2=N)S1 ZINC000041074322 569526309 /nfs/dbraw/zinc/52/63/09/569526309.db2.gz FZVCWFDZNNPFOI-SDWZUDADSA-N 0 0 426.505 4.568 40 10 IJCBRN O=C1NC(=S)S/C1=C\c1c(-c2ccccc2)nc2sc(C3CCCCC3)nn12 ZINC000041074264 569526323 /nfs/dbraw/zinc/52/63/23/569526323.db2.gz ZIJZITMYEFICMH-PTNGSMBKSA-N 0 0 426.592 4.994 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000041076254 569526353 /nfs/dbraw/zinc/52/63/53/569526353.db2.gz ZLAWLVWPOOLOCT-VHARHKTESA-N 0 0 445.935 4.993 40 10 IJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4c(C)cccc4C)cc3)C2=N)S1 ZINC000009425469 569533190 /nfs/dbraw/zinc/53/31/90/569533190.db2.gz AGLWROWBFRLQNE-NLEVOZIKSA-N 0 0 448.548 4.790 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N2O1 ZINC000041082706 520851904 /nfs/dbraw/zinc/85/19/04/520851904.db2.gz NLOATJNHIFMHFG-RIHJCCTQSA-N 0 0 437.883 4.638 40 10 IJCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c1 ZINC000033728707 524589386 /nfs/dbraw/zinc/58/93/86/524589386.db2.gz CFSKRGAKJUHAMZ-STZFKDTASA-N 0 0 435.549 4.579 40 10 IJCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1Br ZINC000001235923 555686919 /nfs/dbraw/zinc/68/69/19/555686919.db2.gz NGOZZLTXDAWWHF-VBKFSLOCSA-N 0 0 447.379 4.679 40 10 IJCBRN Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000408573160 555915298 /nfs/dbraw/zinc/91/52/98/555915298.db2.gz IPCHSGISLOXANO-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1 ZINC000408572392 555916092 /nfs/dbraw/zinc/91/60/92/555916092.db2.gz GQZYXTYCUXQPMI-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1C ZINC000408574272 555924947 /nfs/dbraw/zinc/92/49/47/555924947.db2.gz LJJSQTKZGITQMM-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1C ZINC000408575332 555925966 /nfs/dbraw/zinc/92/59/66/555925966.db2.gz NUPDVKFUVORTQF-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)c1O ZINC000408585938 555936679 /nfs/dbraw/zinc/93/66/79/555936679.db2.gz KJNIJSXCWPKMDV-GDNBJRDFSA-N 0 0 448.302 4.975 40 10 IJCBRN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S)c1ccccc1 ZINC000408600503 555957112 /nfs/dbraw/zinc/95/71/12/555957112.db2.gz BXZOYYABUSNJCF-WOJGMQOQSA-N 0 0 442.468 4.771 40 10 IJCBRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000408644823 556025080 /nfs/dbraw/zinc/02/50/80/556025080.db2.gz HOSGSYRJTGZVDS-UHFFFAOYSA-N 0 0 448.519 4.847 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)cc1 ZINC000408738808 556201170 /nfs/dbraw/zinc/20/11/70/556201170.db2.gz VPHAUDQLRKBTRP-QFIPXVFZSA-N 0 0 435.549 4.744 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C@@H]4Nc5ccccc5N4C3=O)c2C)cc1 ZINC000408740392 556212346 /nfs/dbraw/zinc/21/23/46/556212346.db2.gz BMVSWKIUHSLTCL-NIQJEMAJSA-N 0 0 431.517 4.711 40 10 IJCBRN Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)c(C)c1 ZINC000008765617 556212375 /nfs/dbraw/zinc/21/23/75/556212375.db2.gz AUYMOADTHSIAEN-PDGQHHTCSA-N 0 0 428.554 4.981 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)c1 ZINC000008819159 556218737 /nfs/dbraw/zinc/21/87/37/556218737.db2.gz JVJYDWNRRADJQE-ZHZULCJRSA-N 0 0 440.590 4.932 40 10 IJCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCC3)C2=O)cc1 ZINC000008819877 556219754 /nfs/dbraw/zinc/21/97/54/556219754.db2.gz XHGSOCAARNMWFF-CYVLTUHYSA-N 0 0 432.611 4.516 40 10 IJCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCC(C)CC3)C2=O)cc1 ZINC000008819870 556219843 /nfs/dbraw/zinc/21/98/43/556219843.db2.gz RHOCOCNEGZYUNP-SILNSSARSA-N 0 0 446.638 4.715 40 10 IJCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000009188708 556251644 /nfs/dbraw/zinc/25/16/44/556251644.db2.gz JQJLELRYNFVRCN-GLTXTHCDSA-N 0 0 445.363 4.734 40 10 IJCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)cc1C ZINC000032124670 556533679 /nfs/dbraw/zinc/53/36/79/556533679.db2.gz KFNYZSVHCCSEHL-WQRHYEAKSA-N 0 0 446.575 4.702 40 10 IJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=N)S1 ZINC000033897531 556722212 /nfs/dbraw/zinc/72/22/12/556722212.db2.gz RIKFKVKGCLPMSS-NQDRLLCNSA-N 0 0 429.958 4.687 40 10 IJCBRN Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000000875321 556728842 /nfs/dbraw/zinc/72/88/42/556728842.db2.gz GXMGWXNMKUZMIA-UHFFFAOYSA-N 0 0 435.524 4.646 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(F)cc2)cc1 ZINC000408764684 556829499 /nfs/dbraw/zinc/82/94/99/556829499.db2.gz YBQMVFFKNFZOMP-HYARGMPZSA-N 0 0 432.451 4.686 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Cl)cc2)cc1 ZINC000408765201 556829689 /nfs/dbraw/zinc/82/96/89/556829689.db2.gz KQHAKTVQJSPYDZ-UDWIEESQSA-N 0 0 432.863 4.912 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2OC)cc1 ZINC000408840917 556867367 /nfs/dbraw/zinc/86/73/67/556867367.db2.gz DPHWSSLLHZDXJH-CJLVFECKSA-N 0 0 443.459 4.837 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2OC)cc1 ZINC000408846893 556869143 /nfs/dbraw/zinc/86/91/43/556869143.db2.gz ZKLGBKSKEZXUIC-LTGZKZEYSA-N 0 0 443.459 4.837 40 10 IJCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl ZINC000408901359 556882593 /nfs/dbraw/zinc/88/25/93/556882593.db2.gz DOCRDKKIVKAPPC-CXUHLZMHSA-N 0 0 433.291 4.741 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1 ZINC000408940071 556896494 /nfs/dbraw/zinc/89/64/94/556896494.db2.gz NMOFGXWLJABVJI-HYARGMPZSA-N 0 0 444.462 4.855 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000408976532 556906278 /nfs/dbraw/zinc/90/62/78/556906278.db2.gz RKCZCXAZNMSLNF-AQTBWJFISA-N 0 0 442.309 4.725 40 10 IJCBRN O=C1C(=Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408995423 556912291 /nfs/dbraw/zinc/91/22/91/556912291.db2.gz COOIJVYDKXSVKM-UHFFFAOYSA-N 0 0 447.834 4.832 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000409024917 556925707 /nfs/dbraw/zinc/92/57/07/556925707.db2.gz YWGCFHWFPDIGIT-UNOMPAQXSA-N 0 0 430.426 4.649 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000409058634 556935723 /nfs/dbraw/zinc/93/57/23/556935723.db2.gz UJWNTZPMFMVTDD-PTNGSMBKSA-N 0 0 432.701 4.980 40 10 IJCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000409071648 556945679 /nfs/dbraw/zinc/94/56/79/556945679.db2.gz HSSCZDPBBOOJMH-MOSHPQCFSA-N 0 0 428.941 4.722 40 10 IJCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccccc1 ZINC000409129757 556967292 /nfs/dbraw/zinc/96/72/92/556967292.db2.gz MDDYXQBMEOARAM-JCMHNJIXSA-N 0 0 444.512 4.675 40 10 IJCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1Cl ZINC000409145485 556976752 /nfs/dbraw/zinc/97/67/52/556976752.db2.gz QKGNWLOKFVVZPX-UNOMPAQXSA-N 0 0 432.904 4.552 40 10 IJCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)cc1 ZINC000409181587 556989680 /nfs/dbraw/zinc/98/96/80/556989680.db2.gz DBTKLGHFBWOVII-PXLXIMEGSA-N 0 0 449.576 4.833 40 10 IJCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S ZINC000409199616 556999017 /nfs/dbraw/zinc/99/90/17/556999017.db2.gz PLMOCPXFPZVZKX-APSNUPSMSA-N 0 0 432.368 4.886 40 10 IJCBRN CCN1c2ccccc2/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1=O ZINC000409205403 557003678 /nfs/dbraw/zinc/00/36/78/557003678.db2.gz CCXRLLIPMJAQAU-HAVVHWLPSA-N 0 0 427.548 4.951 40 10 IJCBRN CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1 ZINC000409228076 557014972 /nfs/dbraw/zinc/01/49/72/557014972.db2.gz TUJIURHRFWLKCP-BUVRLJJBSA-N 0 0 429.520 4.894 40 10 IJCBRN O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1Cl ZINC000409232747 557024492 /nfs/dbraw/zinc/02/44/92/557024492.db2.gz PHXTYBZXQFLRKQ-CPNJWEJPSA-N 0 0 441.940 4.615 40 10 IJCBRN CC(C)Oc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409329600 557063992 /nfs/dbraw/zinc/06/39/92/557063992.db2.gz GALYDZJUSCWJOO-BOPFTXTBSA-N 0 0 432.954 4.673 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000409348148 557076288 /nfs/dbraw/zinc/07/62/88/557076288.db2.gz RSQWQYJIPCPWCA-IUXPMGMMSA-N 0 0 437.901 4.819 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208235913 557079810 /nfs/dbraw/zinc/07/98/10/557079810.db2.gz YSIJGUAJEJFYKL-RBXCXTNXSA-N 0 0 430.570 4.705 40 10 IJCBRN Cc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O)C(C)=CC(C)(C)N2C ZINC000208465179 557089583 /nfs/dbraw/zinc/08/95/83/557089583.db2.gz VFTURRFDOGLZST-VXLYETTFSA-N 0 0 428.554 4.615 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000409381235 557090770 /nfs/dbraw/zinc/09/07/70/557090770.db2.gz SLSRKUCFNSPJHW-UYRXBGFRSA-N 0 0 430.426 4.649 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)SC1=S ZINC000409386527 557098705 /nfs/dbraw/zinc/09/87/05/557098705.db2.gz MCNNAMMPJCVTSF-BOPFTXTBSA-N 0 0 432.954 4.579 40 10 IJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000105413655 557144049 /nfs/dbraw/zinc/14/40/49/557144049.db2.gz LYRMNYGYRVYYSI-UXBLZVDNSA-N 0 0 431.158 4.951 40 10 IJCBRN C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218818316 557217566 /nfs/dbraw/zinc/21/75/66/557217566.db2.gz BIDAOHVDBPBMIL-IAGOWNOFSA-N 0 0 431.374 4.942 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1ccc(C)cc1C ZINC000033390928 557319194 /nfs/dbraw/zinc/31/91/94/557319194.db2.gz ZGOCTRUGMRWTFT-ZHZULCJRSA-N 0 0 443.590 4.991 40 10 IJCBRN CC(=O)[C@@H](N=Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C)cc1C ZINC000104096252 557320509 /nfs/dbraw/zinc/32/05/09/557320509.db2.gz JIEHDYTVRRRIEM-IFQZSBTPSA-N 0 0 439.471 4.759 40 10 IJCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000013476232 557322239 /nfs/dbraw/zinc/32/22/39/557322239.db2.gz QDIJQQJVRCCOAE-MHWRWJLKSA-N 0 0 436.352 4.872 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Br)c1 ZINC000222740609 557381754 /nfs/dbraw/zinc/38/17/54/557381754.db2.gz TVXZLPVDPNBIRJ-VQTJNVASSA-N 0 0 441.398 4.854 40 10 IJCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222747145 557382487 /nfs/dbraw/zinc/38/24/87/557382487.db2.gz PKKCTANAJUGYSV-SFTDATJTSA-N 0 0 426.973 4.753 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1cccc(C)c1C ZINC000033430305 557397312 /nfs/dbraw/zinc/39/73/12/557397312.db2.gz LHSUCCLZLCIWDX-ZHZULCJRSA-N 0 0 443.590 4.991 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222925155 557403914 /nfs/dbraw/zinc/40/39/14/557403914.db2.gz AFQNFOYRFJBNIA-DNQXCXABSA-N 0 0 448.592 4.846 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223051038 557421524 /nfs/dbraw/zinc/42/15/24/557421524.db2.gz ZTLXEIYVOREWAU-BJKOFHAPSA-N 0 0 434.609 4.807 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C)cn1 ZINC000223353614 557461646 /nfs/dbraw/zinc/46/16/46/557461646.db2.gz YPIGWDKILOOYQE-RPWUZVMVSA-N 0 0 443.576 4.958 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCc2ccccc2)cc1 ZINC000017096482 557476658 /nfs/dbraw/zinc/47/66/58/557476658.db2.gz KGAAHJQQIQNQDX-MOHJPFBDSA-N 0 0 429.495 4.692 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccccc4C)c3)CC2)cc1 ZINC000224102878 557561479 /nfs/dbraw/zinc/56/14/79/557561479.db2.gz RBMHTEWSTKFJPT-UHFFFAOYSA-N 0 0 446.547 4.554 40 10 IJCBRN C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000225244629 557704542 /nfs/dbraw/zinc/70/45/42/557704542.db2.gz WBWLJSTYKJQLSU-TTWQBBKJSA-N 0 0 443.547 4.918 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3ccc(-c4nc5cc(C)ccc5[nH]4)cc3)CC2)cc1 ZINC000225263639 557706681 /nfs/dbraw/zinc/70/66/81/557706681.db2.gz LEEMAGSUESUDRB-UHFFFAOYSA-N 0 0 426.520 4.509 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cc3)CC2)cc1 ZINC000225268379 557707214 /nfs/dbraw/zinc/70/72/14/557707214.db2.gz IFIHQQOIHXWJJW-UHFFFAOYSA-N 0 0 446.938 4.854 40 10 IJCBRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225582214 557746782 /nfs/dbraw/zinc/74/67/82/557746782.db2.gz FNBSFBIGSGHPGG-UHFFFAOYSA-N 0 0 429.967 4.608 40 10 IJCBRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000225691633 557764370 /nfs/dbraw/zinc/76/43/70/557764370.db2.gz IINUYFZWDVHNCY-QGZVFWFLSA-N 0 0 425.598 4.895 40 10 IJCBRN Cc1cc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1N1CCCC1=O ZINC000225692099 557764621 /nfs/dbraw/zinc/76/46/21/557764621.db2.gz GNOQNBFIXBQZEX-GOSISDBHSA-N 0 0 436.625 4.845 40 10 IJCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OC ZINC000033343227 557807094 /nfs/dbraw/zinc/80/70/94/557807094.db2.gz ITQJYXHTQDSABZ-OVCLIPMQSA-N 0 0 448.256 4.598 40 10 IJCBRN CCN1C(=O)C(=Cc2cn(CCCOc3ccccc3C)c3ccccc23)C(=O)NC1=S ZINC000059182315 557817739 /nfs/dbraw/zinc/81/77/39/557817739.db2.gz YVDKEFBHSJVCDC-HMMYKYKNSA-N 0 0 447.560 4.906 40 10 IJCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)cc21 ZINC000260924109 568630083 /nfs/dbraw/zinc/63/00/83/568630083.db2.gz RROLVNUBDYGXOQ-WDJPJFJCSA-N 0 0 448.636 4.865 40 10 IJCBRN CC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)cc1 ZINC000001181296 568736199 /nfs/dbraw/zinc/73/61/99/568736199.db2.gz YCWHUTSTGHWFOG-XSFVSMFZSA-N 0 0 438.574 4.818 40 10 IJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)cc3)C2=N)S1 ZINC000026743749 568915940 /nfs/dbraw/zinc/91/59/40/568915940.db2.gz HXFBYEUFWWGIIE-NLEVOZIKSA-N 0 0 448.548 4.790 40 10 IJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C2=N)S1 ZINC000026743569 568915995 /nfs/dbraw/zinc/91/59/95/568915995.db2.gz WULUADBZGNAVBV-ONWPUYBOSA-N 0 0 448.548 4.790 40 10 IJCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 ZINC000020681211 569241517 /nfs/dbraw/zinc/24/15/17/569241517.db2.gz OXTIJWWYIAXWHY-KNKQGSTJSA-N 0 0 439.353 4.748 40 10 IJCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000058607899 569249622 /nfs/dbraw/zinc/24/96/22/569249622.db2.gz CIRJZMXJHBGWTC-ZHZULCJRSA-N 0 0 428.579 4.956 40 10 IJCBRN Oc1ccc([C@@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)c(O)c1 ZINC000107803092 569251325 /nfs/dbraw/zinc/25/13/25/569251325.db2.gz ABPMSQODTXONHQ-LJQANCHMSA-N 0 0 432.530 4.668 40 10 IJCBRN COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(Cl)cc1 ZINC000039132429 569260410 /nfs/dbraw/zinc/26/04/10/569260410.db2.gz WDTICCNRIAMQRS-XDHOZWIPSA-N 0 0 432.863 4.912 40 10 IJCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3F)C(C)=C2C(=O)OC)cc1OCC ZINC000107987969 569260644 /nfs/dbraw/zinc/26/06/44/569260644.db2.gz HGWFGAGGZLWZLU-JXAWBTAJSA-N 0 0 439.483 4.890 40 10 IJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C2=N)S1 ZINC000002419527 569301726 /nfs/dbraw/zinc/30/17/26/569301726.db2.gz DYPPKJAMPKFRTN-OSIMKLFKSA-N 0 0 443.985 4.996 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)cc4C)cc3)C(=N)N2O1 ZINC000041082681 520852062 /nfs/dbraw/zinc/85/20/62/520852062.db2.gz LWKYNGHPVNJQAC-LLLXPECQSA-N 0 0 431.492 4.602 40 10 IJCBRN Cc1cccc(C2=NN3C(=NC(=O)/C(=C\c4cccn4-c4ccc(F)cc4)C3=N)S2)c1 ZINC000041108163 524334129 /nfs/dbraw/zinc/33/41/29/524334129.db2.gz XZYGFLUEKMPHIT-NREDLREFSA-N 0 0 429.480 4.592 40 10 IJCBRN N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084797 526837273 /nfs/dbraw/zinc/83/72/73/526837273.db2.gz ATWVDUBBLLULSU-OPAADGBVSA-N 0 0 439.928 4.663 40 10 IJCBRN CCc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C(C(=O)OC)=C2C)cc1 ZINC000035077894 555722560 /nfs/dbraw/zinc/72/25/60/555722560.db2.gz UCOZMEXJMOBFBN-PDGQHHTCSA-N 0 0 426.856 4.688 40 10 IJCBRN COc1cc(N2N=C(C)C(=CNNc3cccc(Cl)c3Cl)C2=O)ccc1Cl ZINC000408536693 555774285 /nfs/dbraw/zinc/77/42/85/555774285.db2.gz XIPGCDYNCAHLEC-XFXZXTDPSA-N 0 0 425.703 4.879 40 10 IJCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1C ZINC000408571218 555914873 /nfs/dbraw/zinc/91/48/73/555914873.db2.gz AHFVUOCFKALSBC-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000408572776 555917750 /nfs/dbraw/zinc/91/77/50/555917750.db2.gz IDRBPLJCHXLGBU-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)SC1=S ZINC000408578287 555918697 /nfs/dbraw/zinc/91/86/97/555918697.db2.gz XFOACEJMNMCTSO-ZDLGFXPLSA-N 0 0 446.981 4.967 40 10 IJCBRN COc1ccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 ZINC000408721221 556148471 /nfs/dbraw/zinc/14/84/71/556148471.db2.gz FGUAAUNGTBKIIO-MHWRWJLKSA-N 0 0 435.368 4.729 40 10 IJCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(I)o1 ZINC000408741297 556213725 /nfs/dbraw/zinc/21/37/25/556213725.db2.gz IFVXMDWDYBFQFE-JXMROGBWSA-N 0 0 443.034 4.628 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)c1 ZINC000008819147 556218672 /nfs/dbraw/zinc/21/86/72/556218672.db2.gz SHHZWHZDCNXYBL-RGEXLXHISA-N 0 0 426.563 4.624 40 10 IJCBRN CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000008820055 556219759 /nfs/dbraw/zinc/21/97/59/556219759.db2.gz JYWCMFQTZIJKEN-AQTBWJFISA-N 0 0 435.567 4.520 40 10 IJCBRN CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000008820299 556220085 /nfs/dbraw/zinc/22/00/85/556220085.db2.gz TYZILTMRWDFGEY-NBVRZTHBSA-N 0 0 428.579 4.698 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OC ZINC000008821334 556222445 /nfs/dbraw/zinc/22/24/45/556222445.db2.gz YQTOEFYUIOZVEU-ZHZULCJRSA-N 0 0 429.563 4.546 40 10 IJCBRN COc1ccc(CCN2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1OC ZINC000008821553 556223143 /nfs/dbraw/zinc/22/31/43/556223143.db2.gz ZKSXWSDFSQXQTE-BKUYFWCQSA-N 0 0 438.574 4.639 40 10 IJCBRN O=C1N=C(Nc2ccc(I)cc2)SC1=Cc1c[nH]c2ccccc12 ZINC000008821943 556224227 /nfs/dbraw/zinc/22/42/27/556224227.db2.gz LSDMHPLFYCLPEJ-SXGWCWSVSA-N 0 0 445.285 4.855 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408754642 556237111 /nfs/dbraw/zinc/23/71/11/556237111.db2.gz GMRGKEIPYDBLGK-PXLXIMEGSA-N 0 0 431.423 4.967 40 10 IJCBRN COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000016695938 556628787 /nfs/dbraw/zinc/62/87/87/556628787.db2.gz VHNMMZFRSKSRLH-OVCLIPMQSA-N 0 0 439.345 4.548 40 10 IJCBRN COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=S)NCc2ccco2)cc1 ZINC000000884020 556734283 /nfs/dbraw/zinc/73/42/83/556734283.db2.gz MBPLQWYSFMEZOV-UHFFFAOYSA-N 0 0 447.560 4.515 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408767584 556830356 /nfs/dbraw/zinc/83/03/56/556830356.db2.gz YRTGQBLWXBEZQT-PXLXIMEGSA-N 0 0 428.488 4.855 40 10 IJCBRN COc1ccc(N2CCN(C(=O)CSCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000069064370 556850703 /nfs/dbraw/zinc/85/07/03/556850703.db2.gz OQFLKXGZSMGTSK-UHFFFAOYSA-N 0 0 425.381 4.584 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000408894407 556880369 /nfs/dbraw/zinc/88/03/69/556880369.db2.gz QJQDCDJKVMUTGE-UYRXBGFRSA-N 0 0 442.309 4.725 40 10 IJCBRN COc1cccc(/C=C2\C(C)=NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000408904535 556883883 /nfs/dbraw/zinc/88/38/83/556883883.db2.gz LBVFHIPVTVGMDQ-CJLVFECKSA-N 0 0 441.487 4.519 40 10 IJCBRN Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000408959780 556899693 /nfs/dbraw/zinc/89/96/93/556899693.db2.gz FULDLPUBONFMJP-NDENLUEZSA-N 0 0 430.335 4.995 40 10 IJCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000408960362 556900326 /nfs/dbraw/zinc/90/03/26/556900326.db2.gz LEOJBBCOZLLOEH-QNGOZBTKSA-N 0 0 435.549 4.660 40 10 IJCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1O ZINC000408973020 556907450 /nfs/dbraw/zinc/90/74/50/556907450.db2.gz RKLBMWCUPLPPES-GHXNOFRVSA-N 0 0 441.203 4.512 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)C(C(=O)OC)=C2C)cc1 ZINC000408995403 556912111 /nfs/dbraw/zinc/91/21/11/556912111.db2.gz CHSAOFSNVMPSLA-AQTBWJFISA-N 0 0 431.410 4.981 40 10 IJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(C)=C1C(=O)OC ZINC000409002067 556914740 /nfs/dbraw/zinc/91/47/40/556914740.db2.gz SGPAQIMQGTYBJB-AQTBWJFISA-N 0 0 442.309 4.725 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O ZINC000409010157 556917672 /nfs/dbraw/zinc/91/76/72/556917672.db2.gz JUKGWAOSJXHANU-MIQLPHMESA-N 0 0 426.538 4.699 40 10 IJCBRN CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409014810 556920535 /nfs/dbraw/zinc/92/05/35/556920535.db2.gz KQSKQEHKUZMPJQ-LFIBNONCSA-N 0 0 435.332 4.566 40 10 IJCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O ZINC000409020198 556924342 /nfs/dbraw/zinc/92/43/42/556924342.db2.gz MQEXXBACMSDKKN-AINDZBIGSA-N 0 0 429.498 4.846 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409074530 556943274 /nfs/dbraw/zinc/94/32/74/556943274.db2.gz VDJSRXGOTUXMHT-BKUYFWCQSA-N 0 0 445.494 4.501 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)C1=O ZINC000409071247 556945369 /nfs/dbraw/zinc/94/53/69/556945369.db2.gz GFALWKRGAVRSDU-REIAIGDLSA-N 0 0 434.517 4.845 40 10 IJCBRN Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409086247 556950331 /nfs/dbraw/zinc/95/03/31/556950331.db2.gz QEOFOIGUUXYZEP-STZFKDTASA-N 0 0 438.553 4.735 40 10 IJCBRN Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409149525 556974421 /nfs/dbraw/zinc/97/44/21/556974421.db2.gz IZOKHNDJKVAFIO-VCHYOVAHSA-N 0 0 441.965 4.984 40 10 IJCBRN CCOc1cc(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)c(C)cc1OC ZINC000409143503 556975496 /nfs/dbraw/zinc/97/54/96/556975496.db2.gz GWCIPGGVGJLEJL-NRFANRHFSA-N 0 0 429.607 4.807 40 10 IJCBRN CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409144143 556975662 /nfs/dbraw/zinc/97/56/62/556975662.db2.gz XMQASHBOXZHNIU-GZTJUZNOSA-N 0 0 432.954 4.593 40 10 IJCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(C)C3=O)c2C)cc1 ZINC000409146920 556977478 /nfs/dbraw/zinc/97/74/78/556977478.db2.gz TYBXMCQJMVMENS-UYRXBGFRSA-N 0 0 428.579 4.882 40 10 IJCBRN O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 ZINC000409199387 556998821 /nfs/dbraw/zinc/99/88/21/556998821.db2.gz CJNOVVWCZQCRDW-VGOFMYFVSA-N 0 0 439.287 4.902 40 10 IJCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccn1 ZINC000409239484 557020730 /nfs/dbraw/zinc/02/07/30/557020730.db2.gz NSQZFWZWRQNGLK-GRSHGNNSSA-N 0 0 441.318 4.889 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)SC2=S)cc1Cl ZINC000409329931 557064518 /nfs/dbraw/zinc/06/45/18/557064518.db2.gz IEBAOZYUZZRVBN-LZYBPNLTSA-N 0 0 436.898 4.671 40 10 IJCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409331746 557065563 /nfs/dbraw/zinc/06/55/63/557065563.db2.gz PJBJENXMGZISOQ-LICLKQGHSA-N 0 0 433.938 4.688 40 10 IJCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1C ZINC000409343790 557071207 /nfs/dbraw/zinc/07/12/07/557071207.db2.gz IYPSOSWLFCQRNZ-KGENOOAVSA-N 0 0 435.549 4.579 40 10 IJCBRN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000409352610 557079978 /nfs/dbraw/zinc/07/99/78/557079978.db2.gz XRWWUFJCMVUMOI-UNOMPAQXSA-N 0 0 426.563 4.659 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000409379011 557094299 /nfs/dbraw/zinc/09/42/99/557094299.db2.gz UCAJOISWWZQWKU-HKWRFOASSA-N 0 0 429.472 4.734 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000100208103 557111596 /nfs/dbraw/zinc/11/15/96/557111596.db2.gz QJNZRPLTMGZGQU-UYRXBGFRSA-N 0 0 442.309 4.725 40 10 IJCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(OC)cc12 ZINC000103918474 557140206 /nfs/dbraw/zinc/14/02/06/557140206.db2.gz JNJLKVGKTXJBAJ-JLPGSUDCSA-N 0 0 434.515 4.925 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000104684719 557142937 /nfs/dbraw/zinc/14/29/37/557142937.db2.gz ZWUNLHAMQQZBOA-HZHRSRAPSA-N 0 0 429.451 4.649 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000008893377 557177798 /nfs/dbraw/zinc/17/77/98/557177798.db2.gz YIHFAPPIENJQAN-HYARGMPZSA-N 0 0 443.459 4.989 40 10 IJCBRN COc1ccc(CNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 ZINC000112289899 557238534 /nfs/dbraw/zinc/23/85/34/557238534.db2.gz LGHWLKXVXYSCPG-MOHJPFBDSA-N 0 0 427.504 4.519 40 10 IJCBRN O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F ZINC000113835149 557307584 /nfs/dbraw/zinc/30/75/84/557307584.db2.gz MWCADYFHHZXTGK-LDADJPATSA-N 0 0 425.466 4.930 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000222900474 557400735 /nfs/dbraw/zinc/40/07/35/557400735.db2.gz POMZCJLXPHBJKV-DHIUTWEWSA-N 0 0 448.592 4.658 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223013456 557415262 /nfs/dbraw/zinc/41/52/62/557415262.db2.gz SZLLUGFWGBHEJT-ZEQRLZLVSA-N 0 0 434.609 4.725 40 10 IJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014414488 557445613 /nfs/dbraw/zinc/44/56/13/557445613.db2.gz VMQVYUBZNKORBK-CYUIRQCWSA-N 0 0 442.309 4.589 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000223307733 557457495 /nfs/dbraw/zinc/45/74/95/557457495.db2.gz PFBSTBZJCWGQBM-TUSQITKMSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1ccccc1 ZINC000223479966 557477098 /nfs/dbraw/zinc/47/70/98/557477098.db2.gz VBYDZDAKRWBBLT-RPWUZVMVSA-N 0 0 425.561 4.748 40 10 IJCBRN CCc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 ZINC000017098956 557482045 /nfs/dbraw/zinc/48/20/45/557482045.db2.gz YYPTVVGDFZDLNW-STZFKDTASA-N 0 0 434.521 4.511 40 10 IJCBRN CCN1c2cc(C)c(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)cc2[C@H](C)CC1(C)C ZINC000260569703 557492556 /nfs/dbraw/zinc/49/25/56/557492556.db2.gz RLJXPOYEKOCPGA-ACIMENLPSA-N 0 0 430.570 4.705 40 10 IJCBRN COc1ccc(CCNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000019634178 557502475 /nfs/dbraw/zinc/50/24/75/557502475.db2.gz MXJKDNNJRWYFPO-PLRJNAJWSA-N 0 0 441.531 4.561 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2ccccc2)cc1 ZINC000019634182 557502552 /nfs/dbraw/zinc/50/25/52/557502552.db2.gz SSMMIGAQNAHKOC-PLRJNAJWSA-N 0 0 441.531 4.561 40 10 IJCBRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(N2CCCC2)cc1 ZINC000223928427 557530053 /nfs/dbraw/zinc/53/00/53/557530053.db2.gz IFSHBMWWKOCLGP-LJQANCHMSA-N 0 0 449.576 4.579 40 10 IJCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2Cc3ccccc3C2)nc1 ZINC000223953225 557533444 /nfs/dbraw/zinc/53/34/44/557533444.db2.gz AZFDTEBWXNGWGD-UHFFFAOYSA-N 0 0 429.593 4.689 40 10 IJCBRN C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(N2CCCC2)cc1 ZINC000224025228 557546855 /nfs/dbraw/zinc/54/68/55/557546855.db2.gz BVJZOGXMNJRCEM-LJQANCHMSA-N 0 0 449.576 4.579 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccc(C)cc4)c3)CC2)cc1 ZINC000224127675 557564420 /nfs/dbraw/zinc/56/44/20/557564420.db2.gz GSTANRGXRFXLOI-UHFFFAOYSA-N 0 0 446.547 4.554 40 10 IJCBRN N=C1/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076727 557805911 /nfs/dbraw/zinc/80/59/11/557805911.db2.gz VJZKMBBUTDJLSR-AXPJIBDUSA-N 0 0 434.502 4.832 40 10 IJCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000033498865 557808933 /nfs/dbraw/zinc/80/89/33/557808933.db2.gz YTFRWZURASAARR-NDENLUEZSA-N 0 0 441.484 4.879 40 10 IJCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000059138740 557816348 /nfs/dbraw/zinc/81/63/48/557816348.db2.gz QWMUDQQFZYSKQV-PXLXIMEGSA-N 0 0 427.504 4.720 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1Cl ZINC000059959285 557828133 /nfs/dbraw/zinc/82/81/33/557828133.db2.gz DCGRZYLPBRAYLG-YBEGLDIGSA-N 0 0 432.701 4.980 40 10 IJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 ZINC000260778621 557855358 /nfs/dbraw/zinc/85/53/58/557855358.db2.gz RVVKQOJVLKTLKU-XARZLDAJSA-N 0 0 438.597 4.678 40 10 IJCBRN COc1c(C=C2SC(Nc3ccccc3C)=NC2=O)cc(Br)cc1[N+](=O)[O-] ZINC000033615258 569259427 /nfs/dbraw/zinc/25/94/27/569259427.db2.gz QCIFTJIMPFPHQQ-NVNXTCNLSA-N 0 0 448.298 4.757 40 10 IJCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)o1 ZINC000108006812 569260707 /nfs/dbraw/zinc/26/07/07/569260707.db2.gz NMOVKASRZJFNCQ-DEDYPNTBSA-N 0 0 440.521 4.601 40 10 IJCBRN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000008984249 569494734 /nfs/dbraw/zinc/49/47/34/569494734.db2.gz SCJOJUMLUYTXGG-UNOMPAQXSA-N 0 0 444.534 4.500 40 10 IJCBRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc2c1 ZINC000006196711 193890980 /nfs/dbraw/zinc/89/09/80/193890980.db2.gz SWTZNYOFRINNFQ-UHFFFAOYSA-N 0 0 447.560 4.597 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3ccc(OCc4ccccc4Cl)cc3)CC2)cc1 ZINC000013687604 132353470 /nfs/dbraw/zinc/35/34/70/132353470.db2.gz FQFOPFGVOZOROW-UHFFFAOYSA-N 0 0 436.939 4.890 40 10 IJCBRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000012587252 519803353 /nfs/dbraw/zinc/80/33/53/519803353.db2.gz RDQPKLKVYRACEJ-HOIFWPIMSA-N 0 0 448.515 4.623 40 10 IJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2c(C)cc(C)cc2C)C1=O ZINC000012274872 524322975 /nfs/dbraw/zinc/32/29/75/524322975.db2.gz WNZSTSDDTSQGGM-UYRXBGFRSA-N 0 0 440.590 4.850 40 10 IJCBRN Cc1ccc(Nc2cc3c(c4c2C(=O)c2ccccc2C4=O)NS(=O)N3CC(C)C)cc1 ZINC000015080690 525323594 /nfs/dbraw/zinc/32/35/94/525323594.db2.gz PVXDHTHMOZHNOX-UHFFFAOYSA-N 0 0 445.544 4.981 40 10 IJCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 ZINC000012377602 525960286 /nfs/dbraw/zinc/96/02/86/525960286.db2.gz NDPPYIKXKSFSSA-SFQUDFHCSA-N 0 0 439.587 4.835 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000041077879 526087387 /nfs/dbraw/zinc/08/73/87/526087387.db2.gz JUCAZWMUQBOROV-CCHDUMJESA-N 0 0 443.507 4.901 40 10 IJCBRN Cc1cc(C(=O)C(=O)N2CCN(c3ccccc3C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000041108654 526199384 /nfs/dbraw/zinc/19/93/84/526199384.db2.gz YSZSCDYTMJLMBS-UHFFFAOYSA-N 0 0 429.564 4.551 40 10 IJCBRN Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000408572383 555916075 /nfs/dbraw/zinc/91/60/75/555916075.db2.gz GQGISUOEAVFMJX-UNOMPAQXSA-N 0 0 440.590 4.931 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408589266 555940143 /nfs/dbraw/zinc/94/01/43/555940143.db2.gz ZTIZJZSSNXRDOL-WQRHYEAKSA-N 0 0 442.309 4.649 40 10 IJCBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(-n2c(C)ccc2C)c1 ZINC000408708944 556116063 /nfs/dbraw/zinc/11/60/63/556116063.db2.gz VNPODWXFJIPCRE-QGZVFWFLSA-N 0 0 437.927 4.748 40 10 IJCBRN COc1ccc(CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 ZINC000008821572 556223070 /nfs/dbraw/zinc/22/30/70/556223070.db2.gz QIMAXCKCEAWLLJ-ATVHPVEESA-N 0 0 434.380 4.902 40 10 IJCBRN CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000008951783 556235736 /nfs/dbraw/zinc/23/57/36/556235736.db2.gz YOOBPKFXALNYDH-QGOAFFKASA-N 0 0 446.981 4.969 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 ZINC000009310777 556279252 /nfs/dbraw/zinc/27/92/52/556279252.db2.gz GLDOISDCAHZLOA-MTJSOVHGSA-N 0 0 449.894 4.631 40 10 IJCBRN COc1ccc(N2CCN(C(=O)CSCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038772280 556619229 /nfs/dbraw/zinc/61/92/29/556619229.db2.gz XANPVCFFPINITJ-UHFFFAOYSA-N 0 0 425.381 4.584 40 10 IJCBRN Cc1c(C)n(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)c2ccccc12 ZINC000016779679 556641330 /nfs/dbraw/zinc/64/13/30/556641330.db2.gz OKCYAPPAGNEZMB-UHFFFAOYSA-N 0 0 437.477 4.662 40 10 IJCBRN C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260452974 556719875 /nfs/dbraw/zinc/71/98/75/556719875.db2.gz BIDAOHVDBPBMIL-DLBZAZTESA-N 0 0 431.374 4.942 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(C)c3)C2=O)cc1 ZINC000408840137 556867285 /nfs/dbraw/zinc/86/72/85/556867285.db2.gz BITRJPMURJWOMC-CJLVFECKSA-N 0 0 426.472 4.625 40 10 IJCBRN O=C1C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408960034 556900031 /nfs/dbraw/zinc/90/00/31/556900031.db2.gz IGFFVVHAPXSACF-UHFFFAOYSA-N 0 0 437.499 4.870 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408976928 556906469 /nfs/dbraw/zinc/90/64/69/556906469.db2.gz HAXQTCBLTGTBKD-DHDCSXOGSA-N 0 0 448.302 4.888 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O ZINC000409018524 556919781 /nfs/dbraw/zinc/91/97/81/556919781.db2.gz XCXRHGHNICWILN-YFEUJDIGSA-N 0 0 432.929 4.735 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O ZINC000409013779 556920037 /nfs/dbraw/zinc/92/00/37/556920037.db2.gz VJOLJFKAXSBZLU-UOBPLZBXSA-N 0 0 440.565 4.953 40 10 IJCBRN CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC ZINC000409032698 556927522 /nfs/dbraw/zinc/92/75/22/556927522.db2.gz MPKNQNIWJRLLIS-XYOKQWHBSA-N 0 0 440.368 4.986 40 10 IJCBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OC ZINC000409043296 556929813 /nfs/dbraw/zinc/92/98/13/556929813.db2.gz DTJPOFZINWCPAA-CHHVJCJISA-N 0 0 430.389 4.714 40 10 IJCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)N(C)C1=S ZINC000409131629 556963342 /nfs/dbraw/zinc/96/33/42/556963342.db2.gz JXZWHFGGGKYPHM-WQRHYEAKSA-N 0 0 446.414 4.893 40 10 IJCBRN Cc1cccc(COc2ccc(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)cc2)c1 ZINC000409134296 556968642 /nfs/dbraw/zinc/96/86/42/556968642.db2.gz OACIOABFUWHXFZ-JCMHNJIXSA-N 0 0 428.513 4.974 40 10 IJCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409144392 556975972 /nfs/dbraw/zinc/97/59/72/556975972.db2.gz JXCLPXMNSURUAT-VCHYOVAHSA-N 0 0 441.965 4.686 40 10 IJCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000409179809 556987741 /nfs/dbraw/zinc/98/77/41/556987741.db2.gz NRURSEWAKQZHCC-RCCKNPSSSA-N 0 0 437.565 4.770 40 10 IJCBRN CCOc1ccc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)cc1 ZINC000409187461 556988345 /nfs/dbraw/zinc/98/83/45/556988345.db2.gz QQECRFUQJWMLPT-OYKKKHCWSA-N 0 0 443.572 4.880 40 10 IJCBRN COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O ZINC000409247629 557028876 /nfs/dbraw/zinc/02/88/76/557028876.db2.gz DXGKAFNKOMXCNM-YBFXNURJSA-N 0 0 434.945 4.829 40 10 IJCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409331289 557065313 /nfs/dbraw/zinc/06/53/13/557065313.db2.gz NTNUHCMPUOMVDS-LDADJPATSA-N 0 0 430.507 4.798 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OCC ZINC000409339801 557067515 /nfs/dbraw/zinc/06/75/15/557067515.db2.gz YPFCTEBSRBDENJ-XSFVSMFZSA-N 0 0 428.579 4.956 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC ZINC000409346739 557075156 /nfs/dbraw/zinc/07/51/56/557075156.db2.gz OEZOWLXZGQUTCP-OVCLIPMQSA-N 0 0 436.898 4.671 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000208474456 557092559 /nfs/dbraw/zinc/09/25/59/557092559.db2.gz HICPMMMFKLYUAW-VVSAQIQQSA-N 0 0 448.972 4.960 40 10 IJCBRN CCN1c2cc(C)c(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)cc2C(C)=CC1(C)C ZINC000208520147 557093616 /nfs/dbraw/zinc/09/36/16/557093616.db2.gz IZOVYSVBISSIGV-BKQORJHRSA-N 0 0 428.554 4.615 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1c(O)ccc2ccccc21 ZINC000409380646 557094931 /nfs/dbraw/zinc/09/49/31/557094931.db2.gz OXKCRQSRLDZNAU-HMAPJEAMSA-N 0 0 427.456 4.625 40 10 IJCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(OC)cc12 ZINC000103918468 557140390 /nfs/dbraw/zinc/14/03/90/557140390.db2.gz CPHSPLQENOQBEV-UQQQWYQISA-N 0 0 446.551 4.794 40 10 IJCBRN C[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218318377 557192754 /nfs/dbraw/zinc/19/27/54/557192754.db2.gz RTGABNKHGOSTFK-RTBURBONSA-N 0 0 427.548 4.914 40 10 IJCBRN O=C1N=C(Nc2cccc(I)c2)SC1=Cc1c[nH]c2ccccc12 ZINC000038183521 557206328 /nfs/dbraw/zinc/20/63/28/557206328.db2.gz WXHRKNUSPITYOQ-LZYBPNLTSA-N 0 0 445.285 4.855 40 10 IJCBRN C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218818119 557217698 /nfs/dbraw/zinc/21/76/98/557217698.db2.gz LXKPMKQEPIFHLA-QGZVFWFLSA-N 0 0 431.374 4.942 40 10 IJCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 ZINC000222677617 557372513 /nfs/dbraw/zinc/37/25/13/557372513.db2.gz RVVKQOJVLKTLKU-IRBZQWRBSA-N 0 0 438.597 4.678 40 10 IJCBRN COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000013639444 557384609 /nfs/dbraw/zinc/38/46/09/557384609.db2.gz MNBALNTTYRYHIB-OPYAIIAOSA-N 0 0 427.342 4.652 40 10 IJCBRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000222776274 557385973 /nfs/dbraw/zinc/38/59/73/557385973.db2.gz VGBFTCQTFSMRHA-UHFFFAOYSA-N 0 0 429.925 4.997 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222832715 557391356 /nfs/dbraw/zinc/39/13/56/557391356.db2.gz LRUPHONOIYTRJY-RPWUZVMVSA-N 0 0 433.625 4.936 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222878073 557396890 /nfs/dbraw/zinc/39/68/90/557396890.db2.gz FJUYAYKUAXCHIS-RPWUZVMVSA-N 0 0 433.625 4.938 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223013639 557415581 /nfs/dbraw/zinc/41/55/81/557415581.db2.gz SZLLUGFWGBHEJT-DNQXCXABSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000223052744 557422142 /nfs/dbraw/zinc/42/21/42/557422142.db2.gz DLEUMFUKARRLLA-GOTSBHOMSA-N 0 0 438.572 4.637 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 ZINC000014406609 557443865 /nfs/dbraw/zinc/44/38/65/557443865.db2.gz BAEGALIDUJWZGK-STZFKDTASA-N 0 0 435.520 4.978 40 10 IJCBRN Cc1nc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(Br)cc1Cl ZINC000223949882 557533076 /nfs/dbraw/zinc/53/30/76/557533076.db2.gz QTUOMZJWFCJNQI-UHFFFAOYSA-N 0 0 439.810 4.893 40 10 IJCBRN COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(N3CCC[C@@H](C)C3)cc1)CCCC2 ZINC000225236951 557703451 /nfs/dbraw/zinc/70/34/51/557703451.db2.gz GXDPUIPWOBNPON-MOPGFXCFSA-N 0 0 442.625 4.850 40 10 IJCBRN C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956852 557796872 /nfs/dbraw/zinc/79/68/72/557796872.db2.gz SOMHGNILEJMRSQ-INIZCTEOSA-N 0 0 445.036 4.596 40 10 IJCBRN CCOc1c(Br)cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000033343229 557807198 /nfs/dbraw/zinc/80/71/98/557807198.db2.gz LOIQBXBQRNGYPU-OQLLNIDSSA-N 0 0 431.282 4.846 40 10 IJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000058865845 557812281 /nfs/dbraw/zinc/81/22/81/557812281.db2.gz BFYRDDZMZNEHHV-UHFFFAOYSA-N 0 0 443.293 4.782 40 10 IJCBRN Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000059138708 557816294 /nfs/dbraw/zinc/81/62/94/557816294.db2.gz RGFPBLIHOYFIOG-STZFKDTASA-N 0 0 433.895 4.756 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000059435744 557821001 /nfs/dbraw/zinc/82/10/01/557821001.db2.gz LLBJNFJKRYEXPI-BOPFTXTBSA-N 0 0 431.319 4.937 40 10 IJCBRN Cc1ccccc1N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2C)C1=O ZINC000059502699 557826705 /nfs/dbraw/zinc/82/67/05/557826705.db2.gz POHFIWAQMUZRGJ-UHFFFAOYSA-N 0 0 441.443 4.795 40 10 IJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N(C)C)c(Br)c3)N21 ZINC000260769252 557853583 /nfs/dbraw/zinc/85/35/83/557853583.db2.gz KVPRDMGRYLOAON-ZMYBRWDISA-N 0 0 431.403 4.890 40 10 IJCBRN COc1cc(N2CCCCC2)c(OC)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260786320 557855382 /nfs/dbraw/zinc/85/53/82/557855382.db2.gz WECYAEFVZBPSGG-UZFJHSOTSA-N 0 0 438.597 4.678 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000260921298 568629521 /nfs/dbraw/zinc/62/95/21/568629521.db2.gz PFBSTBZJCWGQBM-NQHRYMMQSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000260922638 568629765 /nfs/dbraw/zinc/62/97/65/568629765.db2.gz QYQCLLDXXNESFO-AGILITTLSA-N 0 0 432.593 4.641 40 10 IJCBRN O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000040006341 569260387 /nfs/dbraw/zinc/26/03/87/569260387.db2.gz ORRYOETVUMCENZ-HRVJUDJTSA-N 0 0 429.538 4.785 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000204987717 569261045 /nfs/dbraw/zinc/26/10/45/569261045.db2.gz LYEKQAXTPXJXRJ-KGENOOAVSA-N 0 0 432.451 4.686 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3OC)cc2)SC1=S ZINC000002874133 569423904 /nfs/dbraw/zinc/42/39/04/569423904.db2.gz NWCHPLWOIBYKAJ-HKWRFOASSA-N 0 0 429.563 4.764 40 10 IJCBRN Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)c1 ZINC000041076253 569526307 /nfs/dbraw/zinc/52/63/07/569526307.db2.gz DWYRXLRYOIWFBK-OIYMOPNQSA-N 0 0 439.544 4.956 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000041076258 569526369 /nfs/dbraw/zinc/52/63/69/569526369.db2.gz NCOIABQTZPTZDB-VHARHKTESA-N 0 0 445.935 4.993 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cccc(C)c1 ZINC000009724117 569563647 /nfs/dbraw/zinc/56/36/47/569563647.db2.gz BOYBOZWLVOJMTJ-PDGQHHTCSA-N 0 0 449.981 4.946 40 10 IJCBRN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000009187879 132307682 /nfs/dbraw/zinc/30/76/82/132307682.db2.gz UPUWEJZAICDGIK-PDGQHHTCSA-N 0 0 436.339 4.925 40 10 IJCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=N)S1 ZINC000041083020 519945997 /nfs/dbraw/zinc/94/59/97/519945997.db2.gz WJYGVKPMWBYXND-MWQVBJQISA-N 0 0 436.497 4.585 40 10 IJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=N)S1 ZINC000041083526 525345705 /nfs/dbraw/zinc/34/57/05/525345705.db2.gz XAZGMVNKUPZUOU-IAYHVCARSA-N 0 0 429.958 4.687 40 10 IJCBRN CCOc1ccccc1/C=C1\SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O ZINC000013547565 535485765 /nfs/dbraw/zinc/48/57/65/535485765.db2.gz SZKRISUKTXRDOR-ZHZULCJRSA-N 0 0 427.957 4.531 40 10 IJCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(O)c1 ZINC000001182797 555672527 /nfs/dbraw/zinc/67/25/27/555672527.db2.gz ZKDKIZCXJWQZDA-GZTJUZNOSA-N 0 0 432.954 4.666 40 10 IJCBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000002263175 555763739 /nfs/dbraw/zinc/76/37/39/555763739.db2.gz UMCBFAFDBAJIDI-MHWRWJLKSA-N 0 0 436.352 4.872 40 10 IJCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c(C)c1 ZINC000408578216 555929556 /nfs/dbraw/zinc/92/95/56/555929556.db2.gz WXNCDLXZFYGRBQ-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1 ZINC000008819800 556219739 /nfs/dbraw/zinc/21/97/39/556219739.db2.gz GBXAVZNMENGEMO-SSZFMOIBSA-N 0 0 431.608 4.852 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(OC)c1 ZINC000008821575 556223117 /nfs/dbraw/zinc/22/31/17/556223117.db2.gz FSGVFLIKWHINSL-SXGWCWSVSA-N 0 0 436.352 4.872 40 10 IJCBRN COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)c1 ZINC000408754838 556237531 /nfs/dbraw/zinc/23/75/31/556237531.db2.gz LLQVRESCDOBMAO-KGENOOAVSA-N 0 0 449.304 4.998 40 10 IJCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000009188709 556251689 /nfs/dbraw/zinc/25/16/89/556251689.db2.gz JQJLELRYNFVRCN-JRELAMLQSA-N 0 0 445.363 4.734 40 10 IJCBRN COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000009444621 556292177 /nfs/dbraw/zinc/29/21/77/556292177.db2.gz QLWBADZPYAJESM-QGOAFFKASA-N 0 0 446.981 4.969 40 10 IJCBRN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccc(OCCOc4ccccc4)c3)C2=N)S1 ZINC000032109553 556530022 /nfs/dbraw/zinc/53/00/22/556530022.db2.gz TWQZNXWPGSSCAL-ZBYPTGCXSA-N 0 0 448.548 4.954 40 10 IJCBRN COC(=O)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000033422576 556563935 /nfs/dbraw/zinc/56/39/35/556563935.db2.gz KTXUJAKDMZVAHY-MDZRGWNJSA-N 0 0 431.273 4.904 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)c(OC)c1 ZINC000408762049 556688349 /nfs/dbraw/zinc/68/83/49/556688349.db2.gz CGYGSSJWIFECHK-FYJGNVAPSA-N 0 0 434.879 4.897 40 10 IJCBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1OC ZINC000260466083 556721325 /nfs/dbraw/zinc/72/13/25/556721325.db2.gz CNTFHYDTANKRLW-AZEVEFHYSA-N 0 0 438.568 4.839 40 10 IJCBRN COC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000000892100 556739908 /nfs/dbraw/zinc/73/99/08/556739908.db2.gz KCNDAALYUPBSAD-UHFFFAOYSA-N 0 0 447.516 4.709 40 10 IJCBRN CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000001355543 556782293 /nfs/dbraw/zinc/78/22/93/556782293.db2.gz APRZVZLKXIZZCZ-UHFFFAOYSA-N 0 0 429.517 4.847 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000408764949 556829485 /nfs/dbraw/zinc/82/94/85/556829485.db2.gz APJZBTCCFMDYOO-UNOMPAQXSA-N 0 0 427.884 4.625 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2F)cc1 ZINC000408841386 556867476 /nfs/dbraw/zinc/86/74/76/556867476.db2.gz IQHURHGQILFYGB-RCCKNPSSSA-N 0 0 431.423 4.967 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408842323 556868104 /nfs/dbraw/zinc/86/81/04/556868104.db2.gz KGPAGIKQTXGRAZ-XSFVSMFZSA-N 0 0 432.451 4.686 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000408893936 556879828 /nfs/dbraw/zinc/87/98/28/556879828.db2.gz OPROYHGHCHDYRF-BOPFTXTBSA-N 0 0 432.701 4.980 40 10 IJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408893824 556879962 /nfs/dbraw/zinc/87/99/62/556879962.db2.gz NLPCKGZNKRUCFP-RGEXLXHISA-N 0 0 445.437 4.629 40 10 IJCBRN CCCOc1ccc(Br)cc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C ZINC000408935620 556895687 /nfs/dbraw/zinc/89/56/87/556895687.db2.gz DEXBKBHFAILHGC-QGOAFFKASA-N 0 0 427.298 4.680 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C1=O ZINC000409018009 556919576 /nfs/dbraw/zinc/91/95/76/556919576.db2.gz GZQOGDPJYDMNEC-UOEVCUDDSA-N 0 0 426.538 4.644 40 10 IJCBRN CCOc1cc(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)c(C)cc1OC ZINC000409143505 556975472 /nfs/dbraw/zinc/97/54/72/556975472.db2.gz GWCIPGGVGJLEJL-OAQYLSRUSA-N 0 0 429.607 4.807 40 10 IJCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409171886 556983752 /nfs/dbraw/zinc/98/37/52/556983752.db2.gz CMIMMCAXLFYTTI-DEDYPNTBSA-N 0 0 449.894 4.631 40 10 IJCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409327551 557061938 /nfs/dbraw/zinc/06/19/38/557061938.db2.gz KTKHXSFOECPCGY-UNOMPAQXSA-N 0 0 425.535 4.909 40 10 IJCBRN O=C1/C(=C\c2cc3ccccc3oc2=O)SC(=S)N1c1ccc(Br)cc1 ZINC000409338721 557073736 /nfs/dbraw/zinc/07/37/36/557073736.db2.gz OYBQITANAHDENX-MHWRWJLKSA-N 0 0 444.331 4.961 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(Br)cc1 ZINC000409367190 557088181 /nfs/dbraw/zinc/08/81/81/557088181.db2.gz JITKZNWUBSWPIU-ODLFYWEKSA-N 0 0 440.293 4.529 40 10 IJCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000000656563 557114410 /nfs/dbraw/zinc/11/44/10/557114410.db2.gz GGZBFXYPTZUXKO-TZBSWOFLSA-N 0 0 438.593 4.657 40 10 IJCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 ZINC000020681214 557125565 /nfs/dbraw/zinc/12/55/65/557125565.db2.gz OXTIJWWYIAXWHY-WOIUINJBSA-N 0 0 439.353 4.748 40 10 IJCBRN CCN(CC)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102740180 557132316 /nfs/dbraw/zinc/13/23/16/557132316.db2.gz FFNZMDGAQTWRCW-DSNGMDLFSA-N 0 0 441.531 4.584 40 10 IJCBRN COc1ccc(N2CCOCC2)c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000007497016 557167501 /nfs/dbraw/zinc/16/75/01/557167501.db2.gz NVZAKLKPPZLOTN-UHFFFAOYSA-N 0 0 426.557 4.625 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2ccc(F)cc2)cc1 ZINC000112296385 557239556 /nfs/dbraw/zinc/23/95/56/557239556.db2.gz IVYMPPYENNRNFS-ULJHMMPZSA-N 0 0 445.494 4.658 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)SC2=S)cc1 ZINC000057546814 557249554 /nfs/dbraw/zinc/24/95/54/557249554.db2.gz XATGLWWFLZLVSH-MHWRWJLKSA-N 0 0 436.352 4.872 40 10 IJCBRN CC(NCCSc1ccc(Cl)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000100422772 557260579 /nfs/dbraw/zinc/26/05/79/557260579.db2.gz AADASBQLJLRLHF-CPNJWEJPSA-N 0 0 430.917 4.627 40 10 IJCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013025205 557274332 /nfs/dbraw/zinc/27/43/32/557274332.db2.gz ZAMPZNKOPLERGW-XMMPIXPASA-N 0 0 449.526 4.932 40 10 IJCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(C)C)c(Br)c3)N21 ZINC000222647845 557368233 /nfs/dbraw/zinc/36/82/33/557368233.db2.gz KVPRDMGRYLOAON-GDIGMMSISA-N 0 0 431.403 4.890 40 10 IJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 ZINC000222677553 557372499 /nfs/dbraw/zinc/37/24/99/557372499.db2.gz RVVKQOJVLKTLKU-UZFJHSOTSA-N 0 0 438.597 4.678 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Br ZINC000222740214 557381775 /nfs/dbraw/zinc/38/17/75/557381775.db2.gz TVBFFLHXIXNLEE-WOJBJXKFSA-N 0 0 441.398 4.854 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000223008612 557415005 /nfs/dbraw/zinc/41/50/05/557415005.db2.gz LATRDZJRXKYGTR-VXKWHMMOSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000223041321 557420053 /nfs/dbraw/zinc/42/00/53/557420053.db2.gz ICJFRMZOMBNEMO-GOTSBHOMSA-N 0 0 436.625 4.722 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223051632 557421548 /nfs/dbraw/zinc/42/15/48/557421548.db2.gz ZBOFXKARXPMEEU-DNQXCXABSA-N 0 0 434.609 4.807 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000223052804 557422105 /nfs/dbraw/zinc/42/21/05/557422105.db2.gz DLEUMFUKARRLLA-PKTZIBPZSA-N 0 0 438.572 4.637 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000223307409 557457552 /nfs/dbraw/zinc/45/75/52/557457552.db2.gz FUUQORFUJYLNAW-GPUOULLFSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1O ZINC000223346921 557460850 /nfs/dbraw/zinc/46/08/50/557460850.db2.gz HTFURNLREZVXQW-DNQXCXABSA-N 0 0 444.560 4.960 40 10 IJCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1 ZINC000017098960 557482028 /nfs/dbraw/zinc/48/20/28/557482028.db2.gz IBSWBGFXMJPHAP-QNGOZBTKSA-N 0 0 434.521 4.565 40 10 IJCBRN COc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000017095770 557486836 /nfs/dbraw/zinc/48/68/36/557486836.db2.gz XXLLHFOUMKOJSP-JWGURIENSA-N 0 0 428.448 4.740 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000260572577 557492583 /nfs/dbraw/zinc/49/25/83/557492583.db2.gz WYFHIGXBORDGHL-ACIMENLPSA-N 0 0 430.570 4.785 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000260573465 557492889 /nfs/dbraw/zinc/49/28/89/557492889.db2.gz YSIJGUAJEJFYKL-ACIMENLPSA-N 0 0 430.570 4.705 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1 ZINC000224594931 557628651 /nfs/dbraw/zinc/62/86/51/557628651.db2.gz LCGPOQFBGQNKIT-RPWUZVMVSA-N 0 0 441.560 4.767 40 10 IJCBRN CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000225691558 557764335 /nfs/dbraw/zinc/76/43/35/557764335.db2.gz SYSDLJAALNAXIO-QGZVFWFLSA-N 0 0 425.598 4.895 40 10 IJCBRN C[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000225839467 557783736 /nfs/dbraw/zinc/78/37/36/557783736.db2.gz HRDDQVHABBYUJT-SFHVURJKSA-N 0 0 425.598 4.892 40 10 IJCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C(=O)NC1=S ZINC000059182300 557817768 /nfs/dbraw/zinc/81/77/68/557817768.db2.gz WVXWNTUIKFHPJU-MHWRWJLKSA-N 0 0 446.370 4.652 40 10 IJCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)cc21 ZINC000260924105 568630074 /nfs/dbraw/zinc/63/00/74/568630074.db2.gz RROLVNUBDYGXOQ-VEXUSMLFSA-N 0 0 448.636 4.865 40 10 IJCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000009553667 568794441 /nfs/dbraw/zinc/79/44/41/568794441.db2.gz XHHCSQFCRSZSJF-PDGQHHTCSA-N 0 0 435.954 4.685 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000026642271 568905393 /nfs/dbraw/zinc/90/53/93/568905393.db2.gz ZZYYVYVMNCWOAH-PDGQHHTCSA-N 0 0 449.981 4.946 40 10 IJCBRN COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000226799492 569182924 /nfs/dbraw/zinc/18/29/24/569182924.db2.gz MNBALNTTYRYHIB-DBXWQHBBSA-N 0 0 427.342 4.652 40 10 IJCBRN Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1cccc(F)c1 ZINC000033388483 569259188 /nfs/dbraw/zinc/25/91/88/569259188.db2.gz OWPDOSKOWDSZAT-HAHDFKILSA-N 0 0 425.463 4.599 40 10 IJCBRN C#CCOc1c(Br)cc(C=C2SC(Nc3ccccc3)=NC2=O)cc1OC ZINC000033601513 569259522 /nfs/dbraw/zinc/25/95/22/569259522.db2.gz YQSBHKRTBYISBZ-ATVHPVEESA-N 0 0 443.322 4.552 40 10 IJCBRN CC[C@@H](C)Oc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000108008173 569260680 /nfs/dbraw/zinc/26/06/80/569260680.db2.gz LYCSTFWZRKSIQT-AHEVQNHNSA-N 0 0 430.389 4.856 40 10 IJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1 ZINC000108079145 569260810 /nfs/dbraw/zinc/26/08/10/569260810.db2.gz DJXZUAXACIEBDO-NTEUORMPSA-N 0 0 439.345 4.548 40 10 IJCBRN O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1ccc(Cl)cc1 ZINC000206905826 569261206 /nfs/dbraw/zinc/26/12/06/569261206.db2.gz MRSLBTYPTIUWMV-ZSOIEALJSA-N 0 0 427.309 4.679 40 10 IJCBRN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)cc1 ZINC000009670653 569297744 /nfs/dbraw/zinc/29/77/44/569297744.db2.gz VCNJYUUQDSPFAO-ZGKJFVQXSA-N 0 0 433.464 4.678 40 10 IJCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=N)S1 ZINC000002416830 569301465 /nfs/dbraw/zinc/30/14/65/569301465.db2.gz MBIOVECIVXKYJV-ATKCCKKESA-N 0 0 427.530 4.563 40 10 IJCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000008820227 569477096 /nfs/dbraw/zinc/47/70/96/569477096.db2.gz JLCODJCAOSTLPA-OQLLNIDSSA-N 0 0 443.600 4.712 40 10 IJCBRN N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000041076246 569526308 /nfs/dbraw/zinc/52/63/08/569526308.db2.gz GYSNMNYEYXSFQZ-LCQIMXFNSA-N 0 0 430.464 4.948 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2ccc3ccccc3c2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000041076304 569526386 /nfs/dbraw/zinc/52/63/86/569526386.db2.gz JHMAYHSOWQWFPN-UMHYVHHGSA-N 0 0 439.422 4.812 40 10 IJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3C)C2=N)S1 ZINC000041082847 519917386 /nfs/dbraw/zinc/91/73/86/519917386.db2.gz QTXYRJHBPCZBPC-PALNNIJKSA-N 0 0 436.497 4.503 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3cccn3CCCOc3cc(C)c(Cl)c(C)c3)C(=N)N2O1 ZINC000041078261 520854427 /nfs/dbraw/zinc/85/44/27/520854427.db2.gz OVLBINCKFWEVMW-GNMKNICSSA-N 0 0 438.915 4.678 40 10 IJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000041078344 521958088 /nfs/dbraw/zinc/95/80/88/521958088.db2.gz DITCJLQCOYGAKI-LQXVEBIKSA-N 0 0 437.883 4.686 40 10 IJCBRN COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1Cl ZINC000041083256 523126968 /nfs/dbraw/zinc/12/69/68/523126968.db2.gz PVNHLDJCUXCHBA-ANVLOLRKSA-N 0 0 428.901 4.884 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3ccc(F)cc3)=NN21 ZINC000041108204 526837281 /nfs/dbraw/zinc/83/72/81/526837281.db2.gz NNKIGRUJQQYCMJ-PZVBXIRDSA-N 0 0 449.898 4.937 40 10 IJCBRN N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000001178196 555670587 /nfs/dbraw/zinc/67/05/87/555670587.db2.gz VMVNLXTZUAPXKV-DHTRNYPVSA-N 0 0 428.473 4.645 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000001186780 555674605 /nfs/dbraw/zinc/67/46/05/555674605.db2.gz AFJBDNLDXMXUPT-QGOAFFKASA-N 0 0 446.981 4.969 40 10 IJCBRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(O)c(O)c1 ZINC000001237523 555687179 /nfs/dbraw/zinc/68/71/79/555687179.db2.gz FZZUQIQHIZIQQY-UHFFFAOYSA-N 0 0 437.908 4.974 40 10 IJCBRN Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1 ZINC000408572710 555916611 /nfs/dbraw/zinc/91/66/11/555916611.db2.gz HUIJRZPURATBTB-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000408578170 555929570 /nfs/dbraw/zinc/92/95/70/555929570.db2.gz WKEWCPZMHOUOOU-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1 ZINC000408706588 556111608 /nfs/dbraw/zinc/11/16/08/556111608.db2.gz CBBUMUYGKYRWHK-FQEVSTJZSA-N 0 0 431.536 4.875 40 10 IJCBRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 ZINC000408708320 556114722 /nfs/dbraw/zinc/11/47/22/556114722.db2.gz PENQIVXIIFQZMI-FQEVSTJZSA-N 0 0 431.536 4.657 40 10 IJCBRN O=C1C(=Cc2cc(Cl)ccc2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408721658 556147596 /nfs/dbraw/zinc/14/75/96/556147596.db2.gz WNJILRVZHLFWMJ-UHFFFAOYSA-N 0 0 434.904 4.794 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)c1 ZINC000008819148 556218610 /nfs/dbraw/zinc/21/86/10/556218610.db2.gz AQBFADZCYKNTLD-RGEXLXHISA-N 0 0 426.563 4.624 40 10 IJCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCCC3)C2=O)cc1 ZINC000008819878 556219809 /nfs/dbraw/zinc/21/98/09/556219809.db2.gz FTGPPNPAKGFCED-SILNSSARSA-N 0 0 446.638 4.906 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008821608 556223372 /nfs/dbraw/zinc/22/33/72/556223372.db2.gz FSZIYCDPFZSHST-ZHZULCJRSA-N 0 0 429.563 4.546 40 10 IJCBRN O=C1N=C(Nc2cccc(I)c2)SC1=Cc1c[nH]c2ccccc12 ZINC000008821942 556224255 /nfs/dbraw/zinc/22/42/55/556224255.db2.gz WXHRKNUSPITYOQ-PXNMLYILSA-N 0 0 445.285 4.855 40 10 IJCBRN Cc1csc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)n1 ZINC000008911468 556231681 /nfs/dbraw/zinc/23/16/81/556231681.db2.gz OAFJDAWRWMPEIA-NTEUORMPSA-N 0 0 437.999 4.725 40 10 IJCBRN COC(=O)c1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@H]21 ZINC000000871784 556726880 /nfs/dbraw/zinc/72/68/80/556726880.db2.gz YOIPCGLGFSOBCT-JNHSQIPHSA-N 0 0 428.282 4.791 40 10 IJCBRN O=[N+]([O-])c1ccccc1NCCn1c(-c2ccc(O)c(O)c2)csc1=Nc1ccccc1 ZINC000065090452 556832441 /nfs/dbraw/zinc/83/24/41/556832441.db2.gz ZFKRSVCCUJMHDH-UHFFFAOYSA-O 0 0 449.512 4.878 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408769324 556847140 /nfs/dbraw/zinc/84/71/40/556847140.db2.gz MPOUGKGMXUEKQE-PDGQHHTCSA-N 0 0 442.309 4.643 40 10 IJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408770587 556847315 /nfs/dbraw/zinc/84/73/15/556847315.db2.gz ZFXXDYYPHGEMPW-JCMHNJIXSA-N 0 0 449.547 4.743 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408891858 556881441 /nfs/dbraw/zinc/88/14/41/556881441.db2.gz CZXVFAOJQNEFNM-PDGQHHTCSA-N 0 0 427.884 4.625 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000408917958 556891272 /nfs/dbraw/zinc/89/12/72/556891272.db2.gz DEEHNBRLXXWIFO-DEDYPNTBSA-N 0 0 440.565 4.991 40 10 IJCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c(C)c1 ZINC000408961005 556900723 /nfs/dbraw/zinc/90/07/23/556900723.db2.gz PSDYWLOAXXWVAN-HMAPJEAMSA-N 0 0 449.576 4.887 40 10 IJCBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O ZINC000408961122 556900971 /nfs/dbraw/zinc/90/09/71/556900971.db2.gz REOLNBAGZLJZHT-QNGOZBTKSA-N 0 0 449.576 4.969 40 10 IJCBRN O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970572 556904422 /nfs/dbraw/zinc/90/44/22/556904422.db2.gz BSOBRJIRRVSELY-AQTBWJFISA-N 0 0 426.354 4.734 40 10 IJCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)cc1OCC ZINC000409003386 556916902 /nfs/dbraw/zinc/91/69/02/556916902.db2.gz ZUWDCWFKRBJWRM-ZHZULCJRSA-N 0 0 439.483 4.890 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C1=O ZINC000409018383 556919831 /nfs/dbraw/zinc/91/98/31/556919831.db2.gz HFFOQXRBOFBNLE-XNHPLOEXSA-N 0 0 426.538 4.699 40 10 IJCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OC ZINC000409032452 556927481 /nfs/dbraw/zinc/92/74/81/556927481.db2.gz CCXHJJPNMOYRBJ-YRNVUSSQSA-N 0 0 426.341 4.596 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000409074064 556946935 /nfs/dbraw/zinc/94/69/35/556946935.db2.gz XPAPRIWKMJKAQA-UOEVCUDDSA-N 0 0 440.565 4.989 40 10 IJCBRN CCOc1cc(OCC)c(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1Br ZINC000409162620 556981263 /nfs/dbraw/zinc/98/12/63/556981263.db2.gz XTTCAHSYRBCLMG-INIZCTEOSA-N 0 0 446.432 4.674 40 10 IJCBRN CCCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c2)SC1=S ZINC000409217856 557012435 /nfs/dbraw/zinc/01/24/35/557012435.db2.gz XQUKTAGEHIJWPV-GZTJUZNOSA-N 0 0 445.522 4.792 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1N1CCOCC1 ZINC000409240132 557021291 /nfs/dbraw/zinc/02/12/91/557021291.db2.gz JSYLRPKJIBVWOU-DEDYPNTBSA-N 0 0 428.941 4.722 40 10 IJCBRN COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000409246815 557028224 /nfs/dbraw/zinc/02/82/24/557028224.db2.gz DVSYBWUGIVYRGC-PDGQHHTCSA-N 0 0 449.370 4.929 40 10 IJCBRN CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)OCC)c(Cl)c2)SC1=S ZINC000409328767 557062916 /nfs/dbraw/zinc/06/29/16/557062916.db2.gz AVZMLRFSHFPVNT-MDWZMJQESA-N 0 0 434.366 4.547 40 10 IJCBRN Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc2n1C ZINC000409333544 557066133 /nfs/dbraw/zinc/06/61/33/557066133.db2.gz SRTIMAOAEIJVDE-WQRHYEAKSA-N 0 0 441.965 4.686 40 10 IJCBRN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409335232 557072472 /nfs/dbraw/zinc/07/24/72/557072472.db2.gz ZNUQOQUFHSOLTQ-MKMNVTDBSA-N 0 0 442.743 4.920 40 10 IJCBRN CCOc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000104369473 557142477 /nfs/dbraw/zinc/14/24/77/557142477.db2.gz VGDYKYNOCUMUCL-UHFFFAOYSA-N 0 0 428.513 4.834 40 10 IJCBRN O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422863 557210849 /nfs/dbraw/zinc/21/08/49/557210849.db2.gz BSOYORGZUHHAHO-CAOOACKPSA-N 0 0 432.998 4.789 40 10 IJCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccc2c(c1)OCO2 ZINC000112291964 557238839 /nfs/dbraw/zinc/23/88/39/557238839.db2.gz SWMXUGINIUVPEQ-STZFKDTASA-N 0 0 434.521 4.592 40 10 IJCBRN CCN1c2cc(C)c(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)cc2C(C)=CC1(C)C ZINC000260565563 557287420 /nfs/dbraw/zinc/28/74/20/557287420.db2.gz IZOVYSVBISSIGV-SKCQWOFPSA-N 0 0 428.554 4.615 40 10 IJCBRN CCc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 ZINC000033391783 557320539 /nfs/dbraw/zinc/32/05/39/557320539.db2.gz DPOMRCIIFLQDFC-QNGOZBTKSA-N 0 0 443.590 4.937 40 10 IJCBRN COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000013509973 557331681 /nfs/dbraw/zinc/33/16/81/557331681.db2.gz XXSGERPJVWLNAG-UHFFFAOYSA-N 0 0 445.972 4.898 40 10 IJCBRN COc1cc(N2CCCCC2)c(OC)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222596491 557358513 /nfs/dbraw/zinc/35/85/13/557358513.db2.gz WECYAEFVZBPSGG-FNVCAUGXSA-N 0 0 438.597 4.678 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Br)c1 ZINC000222740552 557381771 /nfs/dbraw/zinc/38/17/71/557381771.db2.gz TVXZLPVDPNBIRJ-UXHICEINSA-N 0 0 441.398 4.854 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000222900560 557400714 /nfs/dbraw/zinc/40/07/14/557400714.db2.gz MZALTKPRTRRYOU-GOTSBHOMSA-N 0 0 448.592 4.658 40 10 IJCBRN COC(=O)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000014165819 557425348 /nfs/dbraw/zinc/42/53/48/557425348.db2.gz KTXUJAKDMZVAHY-GJYPPUQNSA-N 0 0 431.273 4.904 40 10 IJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000014414974 557445897 /nfs/dbraw/zinc/44/58/97/557445897.db2.gz JFHJISDKOCRQQP-HKWRFOASSA-N 0 0 440.337 4.755 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ncccc1C ZINC000223353485 557461624 /nfs/dbraw/zinc/46/16/24/557461624.db2.gz YSWYJBJVOBBINF-GOTSBHOMSA-N 0 0 443.576 4.958 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O ZINC000223490609 557478791 /nfs/dbraw/zinc/47/87/91/557478791.db2.gz CVMGVITWNAIHCT-SKCQWOFPSA-N 0 0 428.554 4.695 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCc2cccs2)cc1 ZINC000017099605 557483278 /nfs/dbraw/zinc/48/32/78/557483278.db2.gz OIIFRVFJPZOEKZ-JWGURIENSA-N 0 0 435.524 4.753 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1c(C)cc(C)cc1C ZINC000223621227 557492959 /nfs/dbraw/zinc/49/29/59/557492959.db2.gz ROEZGOZHSOLMRZ-UKILVPOCSA-N 0 0 448.636 4.769 40 10 IJCBRN COc1cc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC ZINC000019638263 557503521 /nfs/dbraw/zinc/50/35/21/557503521.db2.gz RFMZVTUBTKTWEL-QJOMJCCJSA-N 0 0 443.503 4.849 40 10 IJCBRN CC(NCCc1ccc(F)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000019640337 557503685 /nfs/dbraw/zinc/50/36/85/557503685.db2.gz VRIYYEJIJDWNBO-QJOMJCCJSA-N 0 0 444.466 4.591 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccn1 ZINC000223848165 557520293 /nfs/dbraw/zinc/52/02/93/557520293.db2.gz AKPNPOQCFIHEBK-ZEQRLZLVSA-N 0 0 441.560 4.767 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1 ZINC000224594884 557628536 /nfs/dbraw/zinc/62/85/36/557628536.db2.gz LCGPOQFBGQNKIT-DNQXCXABSA-N 0 0 441.560 4.767 40 10 IJCBRN C[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000225839448 557783751 /nfs/dbraw/zinc/78/37/51/557783751.db2.gz HRDDQVHABBYUJT-GOSISDBHSA-N 0 0 425.598 4.892 40 10 IJCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl ZINC000059138846 557816496 /nfs/dbraw/zinc/81/64/96/557816496.db2.gz FBVBYSAOTCWALC-XMHGGMMESA-N 0 0 433.895 4.756 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000059435704 557820616 /nfs/dbraw/zinc/82/06/16/557820616.db2.gz AAWJMNQEQYAEEC-BOPFTXTBSA-N 0 0 432.701 4.980 40 10 IJCBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2ccc(Cl)cc2)SC1=S ZINC000256055313 568663433 /nfs/dbraw/zinc/66/34/33/568663433.db2.gz BLAPKOKCEPIAFU-GFWHJHDHSA-N 0 0 446.981 4.628 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000035341453 568880473 /nfs/dbraw/zinc/88/04/73/568880473.db2.gz IRGFEQIVGWFSSK-HHGYXRTLSA-N 0 0 443.507 4.901 40 10 IJCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc4cc(OC)ccc4n3)SC2=S)cc1 ZINC000054360800 568940562 /nfs/dbraw/zinc/94/05/62/568940562.db2.gz VWRYRRAQPQYVIE-STZFKDTASA-N 0 0 436.558 4.696 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000033747000 569259773 /nfs/dbraw/zinc/25/97/73/569259773.db2.gz QNQHRLPEFIARGT-WJDWOHSUSA-N 0 0 446.286 4.657 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000033913003 569259951 /nfs/dbraw/zinc/25/99/51/569259951.db2.gz PNWKRJJTSNVWPE-UNOMPAQXSA-N 0 0 426.310 4.943 40 10 IJCBRN CCOc1cccc(/C=C2\C(=O)N(c3cccc4ccccc43)C(C)=C2C(=O)OC)c1O ZINC000038203665 569260197 /nfs/dbraw/zinc/26/01/97/569260197.db2.gz NTWPQDQVBBIONP-HKWRFOASSA-N 0 0 429.472 4.821 40 10 IJCBRN CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C)cc2)SC1=S ZINC000009434375 569534711 /nfs/dbraw/zinc/53/47/11/569534711.db2.gz HBDRCXAQYCHJAB-UYRXBGFRSA-N 0 0 444.534 4.582 40 10 IJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=N)S1 ZINC000041082898 519917362 /nfs/dbraw/zinc/91/73/62/519917362.db2.gz BEVMNBVAKMZJJA-JTKJEDPUSA-N 0 0 437.481 4.973 40 10 IJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000041078348 521958378 /nfs/dbraw/zinc/95/83/78/521958378.db2.gz AXKCFWSVWCFKLZ-QQODKDOTSA-N 0 0 441.846 4.517 40 10 IJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccc(C)cc1 ZINC000041078507 521959574 /nfs/dbraw/zinc/95/95/74/521959574.db2.gz UXFLFAQXMIDUBH-GKJKXNJGSA-N 0 0 449.532 4.625 40 10 IJCBRN Cc1cccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C ZINC000041108217 524144999 /nfs/dbraw/zinc/14/49/99/524144999.db2.gz RHRQEOXBPNIOAW-CCHDUMJESA-N 0 0 443.507 4.901 40 10 IJCBRN Cc1ccc(C)c(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1 ZINC000041108218 526257275 /nfs/dbraw/zinc/25/72/75/526257275.db2.gz XJWBJXJSXKDNOZ-CCHDUMJESA-N 0 0 443.507 4.901 40 10 IJCBRN N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000041108177 526836948 /nfs/dbraw/zinc/83/69/48/526836948.db2.gz INKFVIKQOFEFSW-PNZWKLPWSA-N 0 0 440.531 4.894 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000041108184 526836973 /nfs/dbraw/zinc/83/69/73/526836973.db2.gz ZVEDHDUSOWRFMJ-OTLVRQKTSA-N 0 0 437.937 4.860 40 10 IJCBRN O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1C1CCCCC1 ZINC000034982515 555575611 /nfs/dbraw/zinc/57/56/11/555575611.db2.gz IGORIFZSJFHBFR-UVTDQMKNSA-N 0 0 429.348 4.825 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000408530212 555726615 /nfs/dbraw/zinc/72/66/15/555726615.db2.gz LJBRPMDATJQENJ-WJDWOHSUSA-N 0 0 446.286 4.657 40 10 IJCBRN CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1 ZINC000408574971 555925796 /nfs/dbraw/zinc/92/57/96/555925796.db2.gz NGYYDRKXVZVPIP-MOSHPQCFSA-N 0 0 440.590 4.876 40 10 IJCBRN Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1C ZINC000408577872 555929191 /nfs/dbraw/zinc/92/91/91/555929191.db2.gz VDDSNBBOYRGIGY-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000408644460 556024559 /nfs/dbraw/zinc/02/45/59/556024559.db2.gz FWLKOCVUMPSHDK-UHFFFAOYSA-N 0 0 441.325 4.961 40 10 IJCBRN COc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 ZINC000008951780 556235661 /nfs/dbraw/zinc/23/56/61/556235661.db2.gz ZYCAXVWIQZVWLS-GZTJUZNOSA-N 0 0 432.954 4.579 40 10 IJCBRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000036612746 556511086 /nfs/dbraw/zinc/51/10/86/556511086.db2.gz RVBVZOSBNMCSBC-KPKJPENVSA-N 0 0 446.915 4.642 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000033676576 556620703 /nfs/dbraw/zinc/62/07/03/556620703.db2.gz PRGLOVHFCWUOHW-FZAWDKCWSA-N 0 0 429.505 4.663 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)c(OC)c1 ZINC000408761271 556687839 /nfs/dbraw/zinc/68/78/39/556687839.db2.gz DOPZNFCEOMTDIL-FYJGNVAPSA-N 0 0 434.879 4.897 40 10 IJCBRN C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466385 556721662 /nfs/dbraw/zinc/72/16/62/556721662.db2.gz RWMRSIDPHSRUTC-ZWKOTPCHSA-N 0 0 427.570 4.942 40 10 IJCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(O)cc2O)cc1 ZINC000019325729 556736477 /nfs/dbraw/zinc/73/64/77/556736477.db2.gz CRFGEPSCRPBXQO-UHFFFAOYSA-N 0 0 434.536 4.522 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408762988 556827960 /nfs/dbraw/zinc/82/79/60/556827960.db2.gz CZZDTAVIYGHILN-HYARGMPZSA-N 0 0 432.451 4.686 40 10 IJCBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 ZINC000408776769 556847535 /nfs/dbraw/zinc/84/75/35/556847535.db2.gz QNZRULGDIBLNNX-UTWPHBJQSA-N 0 0 447.560 4.985 40 10 IJCBRN Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408779854 556854291 /nfs/dbraw/zinc/85/42/91/556854291.db2.gz MIJFTUQCTYRIBO-FOKLQQMPSA-N 0 0 431.605 4.907 40 10 IJCBRN O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408928953 556893593 /nfs/dbraw/zinc/89/35/93/556893593.db2.gz MTIHVEKMONMMPM-XSFVSMFZSA-N 0 0 440.341 4.532 40 10 IJCBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000408959638 556899709 /nfs/dbraw/zinc/89/97/09/556899709.db2.gz CITOCNKIDIGCNK-ZHZULCJRSA-N 0 0 435.549 4.579 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408976289 556906218 /nfs/dbraw/zinc/90/62/18/556906218.db2.gz FEXTVEHDPYGGPA-DHDCSXOGSA-N 0 0 433.247 4.779 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000409024093 556925192 /nfs/dbraw/zinc/92/51/92/556925192.db2.gz VCKPPRVJTXDNON-IDUWFGFVSA-N 0 0 448.302 4.888 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O ZINC000409048026 556931744 /nfs/dbraw/zinc/93/17/44/556931744.db2.gz QHMCMHPFNKVSDQ-YBFXNURJSA-N 0 0 426.538 4.619 40 10 IJCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000409081666 556947641 /nfs/dbraw/zinc/94/76/41/556947641.db2.gz KQLMYVVPGZCDEL-IAFWPLRWSA-N 0 0 425.575 4.954 40 10 IJCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000409083471 556948043 /nfs/dbraw/zinc/94/80/43/556948043.db2.gz ASGNFLQBULPAJX-NDENLUEZSA-N 0 0 446.931 4.861 40 10 IJCBRN O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409079650 556948920 /nfs/dbraw/zinc/94/89/20/556948920.db2.gz LNOOFIIGKYNFAB-HRVJUDJTSA-N 0 0 429.538 4.785 40 10 IJCBRN Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409106728 556959143 /nfs/dbraw/zinc/95/91/43/556959143.db2.gz TZKOMQOLTVQSLW-JAIQZWGSSA-N 0 0 436.855 4.753 40 10 IJCBRN CCN1C(=O)[C@@H](Cc2ccccc2OCc2ccc(Br)cc2)SC1=S ZINC000409149645 556974526 /nfs/dbraw/zinc/97/45/26/556974526.db2.gz MCVSJFWAWIJRFK-QGZVFWFLSA-N 0 0 436.396 4.819 40 10 IJCBRN O=C1[C@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccco1 ZINC000409144217 556975987 /nfs/dbraw/zinc/97/59/87/556975987.db2.gz KBLRWMOGHGGZTD-FQEVSTJZSA-N 0 0 427.522 4.969 40 10 IJCBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O ZINC000409172537 556983964 /nfs/dbraw/zinc/98/39/64/556983964.db2.gz KIKQZEBPWRNKAQ-OEAKJJBVSA-N 0 0 433.483 4.725 40 10 IJCBRN CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409203401 557002402 /nfs/dbraw/zinc/00/24/02/557002402.db2.gz WYMIWVOONKUHDU-UNOMPAQXSA-N 0 0 445.972 4.700 40 10 IJCBRN CCCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])SC1=S ZINC000409209807 557004121 /nfs/dbraw/zinc/00/41/21/557004121.db2.gz HGYJKEZUXIUEQK-ODLFYWEKSA-N 0 0 444.534 4.794 40 10 IJCBRN O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1C1CCCCC1 ZINC000409331440 557065260 /nfs/dbraw/zinc/06/52/60/557065260.db2.gz MZSUQVIMEUTMSQ-NTEUORMPSA-N 0 0 445.347 4.531 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(Br)cc1O ZINC000409343521 557070886 /nfs/dbraw/zinc/07/08/86/557070886.db2.gz HLHORAGVWKTJSQ-GIDUJCDVSA-N 0 0 440.315 4.708 40 10 IJCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)c1C ZINC000409346332 557074991 /nfs/dbraw/zinc/07/49/91/557074991.db2.gz KIIASWSZIQIPTE-HYARGMPZSA-N 0 0 449.576 4.887 40 10 IJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1O ZINC000409349958 557077860 /nfs/dbraw/zinc/07/78/60/557077860.db2.gz WPPVNURVBVMCER-BOPFTXTBSA-N 0 0 434.970 4.916 40 10 IJCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)SC1=S ZINC000409378832 557094001 /nfs/dbraw/zinc/09/40/01/557094001.db2.gz SEPIWSRINNFDFC-NDENLUEZSA-N 0 0 435.574 4.810 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000100208035 557111591 /nfs/dbraw/zinc/11/15/91/557111591.db2.gz FZRSMZMFMWXPDB-UYRXBGFRSA-N 0 0 442.309 4.725 40 10 IJCBRN COc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000101654347 557125624 /nfs/dbraw/zinc/12/56/24/557125624.db2.gz KQPMQTYISQIACF-XDHOZWIPSA-N 0 0 430.420 4.597 40 10 IJCBRN CC(NCCCOC(C)C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000102654007 557130940 /nfs/dbraw/zinc/13/09/40/557130940.db2.gz YSDWBDYYYDJOMA-FXBPSFAMSA-N 0 0 434.565 4.726 40 10 IJCBRN C[C@@H]1C[C@@H](C)CN(c2nc3nc4c(c(-c5ccccc5)c3c(=O)[nH]2)C(=O)c2ccccc2-4)C1 ZINC000010339147 557217838 /nfs/dbraw/zinc/21/78/38/557217838.db2.gz FOMBPVXTFRBSTB-HZPDHXFCSA-N 0 0 436.515 4.679 40 10 IJCBRN O=C(COc1ccc(Cl)cc1Br)NCc1ccc(N2CCCCC2)cc1 ZINC000218856407 557218625 /nfs/dbraw/zinc/21/86/25/557218625.db2.gz VBXFJKRXQWLDFQ-UHFFFAOYSA-N 0 0 437.765 4.788 40 10 IJCBRN O=C(CCCN1c2cccc3cccc(c23)C1=O)NCc1ccc(N2CCCCC2)cc1 ZINC000219467714 557252256 /nfs/dbraw/zinc/25/22/56/557252256.db2.gz IZPMZSBGBFNCMO-UHFFFAOYSA-N 0 0 427.548 4.887 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O ZINC000260562842 557285594 /nfs/dbraw/zinc/28/55/94/557285594.db2.gz CGMCOKGQQLWQTO-QCSDQTOZSA-N 0 0 430.570 4.787 40 10 IJCBRN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833861 557307290 /nfs/dbraw/zinc/30/72/90/557307290.db2.gz WWQLIZUWQYAKPM-XDHOZWIPSA-N 0 0 444.534 4.794 40 10 IJCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCC ZINC000113837316 557307868 /nfs/dbraw/zinc/30/78/68/557307868.db2.gz ZNTKLIIKBWNWFN-CPNJWEJPSA-N 0 0 449.594 4.561 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222832666 557391341 /nfs/dbraw/zinc/39/13/41/557391341.db2.gz LRUPHONOIYTRJY-DNQXCXABSA-N 0 0 433.625 4.936 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1C ZINC000033430111 557397310 /nfs/dbraw/zinc/39/73/10/557397310.db2.gz LHMXFMCYLDRQHH-ZHZULCJRSA-N 0 0 429.563 4.683 40 10 IJCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 ZINC000223007667 557414742 /nfs/dbraw/zinc/41/47/42/557414742.db2.gz VGUMWXJRQJVNBZ-BJKOFHAPSA-N 0 0 434.609 4.670 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000223009081 557415110 /nfs/dbraw/zinc/41/51/10/557415110.db2.gz XDZPSUXDBKUYHU-FGZHOGPDSA-N 0 0 441.000 4.761 40 10 IJCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCOC)c1C ZINC000223016803 557415832 /nfs/dbraw/zinc/41/58/32/557415832.db2.gz WTAUOUCBXLHMQE-NOZRDPDXSA-N 0 0 448.636 4.979 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223050981 557421544 /nfs/dbraw/zinc/42/15/44/557421544.db2.gz ZTLXEIYVOREWAU-RPWUZVMVSA-N 0 0 434.609 4.807 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000223052991 557422178 /nfs/dbraw/zinc/42/21/78/557422178.db2.gz SZZBQGQKVTUKTK-GOTSBHOMSA-N 0 0 438.572 4.637 40 10 IJCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000017098965 557481952 /nfs/dbraw/zinc/48/19/52/557481952.db2.gz YSLHUBRJCDDAKK-QNGOZBTKSA-N 0 0 434.521 4.565 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000260572580 557492506 /nfs/dbraw/zinc/49/25/06/557492506.db2.gz WYFHIGXBORDGHL-UALMWKMKSA-N 0 0 430.570 4.785 40 10 IJCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C ZINC000223622761 557493313 /nfs/dbraw/zinc/49/33/13/557493313.db2.gz NUVFVJOKAYLJQM-ILBGXUMGSA-N 0 0 448.636 4.715 40 10 IJCBRN COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(N3CCC(C)CC3)cc1)CCCC2 ZINC000225601939 557749987 /nfs/dbraw/zinc/74/99/87/557749987.db2.gz WAKALLKQRAMJPR-LJQANCHMSA-N 0 0 442.625 4.850 40 10 IJCBRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000225792097 557778333 /nfs/dbraw/zinc/77/83/33/557778333.db2.gz MFOSLJWGUXNKEP-BWAHOGKJSA-N 0 0 443.547 4.666 40 10 IJCBRN CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)NC1=S ZINC000033309137 557807133 /nfs/dbraw/zinc/80/71/33/557807133.db2.gz RDFBUONJEKYREN-ZROIWOOFSA-N 0 0 427.888 4.579 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(Br)cc1O ZINC000033458138 557808582 /nfs/dbraw/zinc/80/85/82/557808582.db2.gz BFXDCYWGXMZOPH-LZYBPNLTSA-N 0 0 436.352 4.565 40 10 IJCBRN COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C(C)C ZINC000260798480 557856411 /nfs/dbraw/zinc/85/64/11/557856411.db2.gz UDTRBAZXVFFNDK-SFHVURJKSA-N 0 0 430.614 4.842 40 10 IJCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000101660038 568848262 /nfs/dbraw/zinc/84/82/62/568848262.db2.gz YIHFAPPIENJQAN-HMAPJEAMSA-N 0 0 443.459 4.989 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S ZINC000001820311 568915631 /nfs/dbraw/zinc/91/56/31/568915631.db2.gz DYCQAMZWHGPUDS-ZSOIEALJSA-N 0 0 439.312 4.838 40 10 IJCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000033765317 569259796 /nfs/dbraw/zinc/25/97/96/569259796.db2.gz FFSAXPSORWLNQX-HKWRFOASSA-N 0 0 436.514 4.537 40 10 IJCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000040006344 569260369 /nfs/dbraw/zinc/26/03/69/569260369.db2.gz FGMWTCCCAJCGNF-CNJGYECJSA-N 0 0 429.538 4.785 40 10 IJCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OC(C)(C)C)cc1 ZINC000107982034 569260699 /nfs/dbraw/zinc/26/06/99/569260699.db2.gz YOSAXKRWDNXELK-KQWNVCNZSA-N 0 0 429.520 4.733 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(OC)c3)cc2)SC1=S ZINC000002882603 569424185 /nfs/dbraw/zinc/42/41/85/569424185.db2.gz HNZGFLIDEYBBPN-ZHZULCJRSA-N 0 0 429.563 4.764 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccccc2OC)SC1=S ZINC000002882556 569424200 /nfs/dbraw/zinc/42/42/00/569424200.db2.gz JKRRILVIYWCISF-HKWRFOASSA-N 0 0 429.563 4.764 40 10 IJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=N)S1 ZINC000041083358 519894518 /nfs/dbraw/zinc/89/45/18/519894518.db2.gz TVPULJQOAYPQQT-WSYITQDSSA-N 0 0 442.342 4.659 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4cc(C)ccc4C)cc3)C(=N)N2O1 ZINC000041082658 520852573 /nfs/dbraw/zinc/85/25/73/520852573.db2.gz YJAQNKOJNJZOKN-LLLXPECQSA-N 0 0 431.492 4.602 40 10 IJCBRN CCN1C(=O)/C(=C/c2cccc(OC)c2OCCOc2cc(C)ccc2C)SC1=S ZINC000041108605 521513593 /nfs/dbraw/zinc/51/35/93/521513593.db2.gz JBUDXJMRIMBZFN-ZHZULCJRSA-N 0 0 443.590 4.991 40 10 IJCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)c(Cl)c4)S3)CC2)cc1 ZINC000009188203 536692535 /nfs/dbraw/zinc/69/25/35/536692535.db2.gz HEEDZRZRXSZVPN-UYRXBGFRSA-N 0 0 448.375 4.795 40 10 IJCBRN O=C(Cc1nc2cc(Cl)c(Cl)cc2nc1CC(=O)c1cccnc1)c1cccnc1 ZINC000000644135 555519731 /nfs/dbraw/zinc/51/97/31/555519731.db2.gz TVUFYZIBRCOHBD-UHFFFAOYSA-N 0 0 437.286 4.577 40 10 IJCBRN O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000001095185 555627746 /nfs/dbraw/zinc/62/77/46/555627746.db2.gz LHJGEHIUJBWGAJ-VCHYOVAHSA-N 0 0 434.298 4.826 40 10 IJCBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1 ZINC000001258820 555688128 /nfs/dbraw/zinc/68/81/28/555688128.db2.gz HMYQQMKBGJWRRU-CXUHLZMHSA-N 0 0 436.352 4.872 40 10 IJCBRN O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc(Cl)cc1Cl ZINC000001835788 555719444 /nfs/dbraw/zinc/71/94/44/555719444.db2.gz IWDMNMCLGNRPCL-VGOFMYFVSA-N 0 0 427.309 4.679 40 10 IJCBRN CCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccc(Cl)c(OC)c3)N=C2C)cc1 ZINC000408529709 555723780 /nfs/dbraw/zinc/72/37/80/555723780.db2.gz HRIYMHGTAKHTRK-AQTBWJFISA-N 0 0 427.888 4.634 40 10 IJCBRN CCc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(C(C)C)C1=O ZINC000408578280 555918749 /nfs/dbraw/zinc/91/87/49/555918749.db2.gz XDJWTUYXAZIUKW-MOSHPQCFSA-N 0 0 440.590 4.876 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408585457 555936202 /nfs/dbraw/zinc/93/62/02/555936202.db2.gz FBXFPOQXUIVTTF-WQRHYEAKSA-N 0 0 442.309 4.649 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1Br ZINC000408589103 555944477 /nfs/dbraw/zinc/94/44/77/555944477.db2.gz YPNGEUPMWDYRCY-KAMYIIQDSA-N 0 0 432.701 4.980 40 10 IJCBRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1 ZINC000408718309 556140467 /nfs/dbraw/zinc/14/04/67/556140467.db2.gz JEUFSKQTILDBSA-UHFFFAOYSA-N 0 0 428.747 4.748 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C@H]4Nc5ccccc5N4C3=O)c2C)cc1 ZINC000408740390 556212355 /nfs/dbraw/zinc/21/23/55/556212355.db2.gz BMVSWKIUHSLTCL-DNQIBQKISA-N 0 0 431.517 4.711 40 10 IJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(Cl)c2)C1=O ZINC000008819302 556218994 /nfs/dbraw/zinc/21/89/94/556218994.db2.gz DKRLUYRZSXXXIK-BOPFTXTBSA-N 0 0 432.954 4.579 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(OC)cc2)cc1 ZINC000408753494 556234135 /nfs/dbraw/zinc/23/41/35/556234135.db2.gz AFSJXOUCHMYLLY-JJIBRWJFSA-N 0 0 428.488 4.937 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2)cc1 ZINC000408754969 556238026 /nfs/dbraw/zinc/23/80/26/556238026.db2.gz PHZADRDAFAQBAP-XQNSMLJCSA-N 0 0 428.488 4.937 40 10 IJCBRN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S)c1ccccc1 ZINC000009188727 556251717 /nfs/dbraw/zinc/25/17/17/556251717.db2.gz GWLQXOQQOKJZSY-QNGOZBTKSA-N 0 0 446.553 4.812 40 10 IJCBRN COc1ccc2[nH]cc(CCNC(C)=C3C(C)=NN(c4nc5ccccc5s4)C3=O)c2c1 ZINC000013626446 556537344 /nfs/dbraw/zinc/53/73/44/556537344.db2.gz SLKVBQOLTXZEPA-HYARGMPZSA-N 0 0 445.548 4.615 40 10 IJCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000016160868 556586111 /nfs/dbraw/zinc/58/61/11/556586111.db2.gz CEQDJLAWUROERM-BKUYFWCQSA-N 0 0 443.459 4.989 40 10 IJCBRN CC(C)COC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 ZINC000000850648 556721979 /nfs/dbraw/zinc/72/19/79/556721979.db2.gz DUZVOZRMEWKNDI-UHFFFAOYSA-N 0 0 430.460 4.675 40 10 IJCBRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)cc2c1 ZINC000000875277 556728825 /nfs/dbraw/zinc/72/88/25/556728825.db2.gz AUGIGDBEKHQASQ-UHFFFAOYSA-N 0 0 435.524 4.646 40 10 IJCBRN CCOC(=O)c1c2ccc(C[NH+](CC)CC)c([O-])c2sc1NC(=O)c1ccccc1 ZINC000006511921 556838247 /nfs/dbraw/zinc/83/82/47/556838247.db2.gz NJNKZMOPGWSRLN-UHFFFAOYSA-N 0 0 426.538 4.878 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(OC)cc2)cc1 ZINC000408840274 556867292 /nfs/dbraw/zinc/86/72/92/556867292.db2.gz DCMBLXORDVGVQO-CJLVFECKSA-N 0 0 443.459 4.837 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2OC)cc1 ZINC000408842903 556868053 /nfs/dbraw/zinc/86/80/53/556868053.db2.gz LSTQZFHHLZYOGJ-HAVVHWLPSA-N 0 0 427.504 4.604 40 10 IJCBRN COc1cc(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000408871369 556875027 /nfs/dbraw/zinc/87/50/27/556875027.db2.gz YUMFQJZBJJELLE-UHFFFAOYSA-N 0 0 432.863 4.932 40 10 IJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000408895146 556880479 /nfs/dbraw/zinc/88/04/79/556880479.db2.gz UABTXDMXPGYIGI-AQTBWJFISA-N 0 0 446.330 4.917 40 10 IJCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408902125 556882123 /nfs/dbraw/zinc/88/21/23/556882123.db2.gz KLMMMSOBNXJKOX-DEDYPNTBSA-N 0 0 433.558 4.599 40 10 IJCBRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2Cc2ccc(N3CCCC3)cc2)nc1C ZINC000019765539 556910180 /nfs/dbraw/zinc/91/01/80/556910180.db2.gz WNSQXDIPWFKOGH-DEOSSOPVSA-N 0 0 435.616 4.594 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408994190 556912989 /nfs/dbraw/zinc/91/29/89/556912989.db2.gz HBQDFHKOZFQOLU-PXLXIMEGSA-N 0 0 428.488 4.855 40 10 IJCBRN CCn1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409014729 556920492 /nfs/dbraw/zinc/92/04/92/556920492.db2.gz ISSLQRVXCCNCLK-CPNJWEJPSA-N 0 0 437.952 4.878 40 10 IJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(C)=C1C(=O)OC ZINC000409022929 556923000 /nfs/dbraw/zinc/92/30/00/556923000.db2.gz IGIFDGHWOWYLGP-PDGQHHTCSA-N 0 0 431.410 4.981 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000409023079 556923257 /nfs/dbraw/zinc/92/32/57/556923257.db2.gz CROAJJVLOZWHOP-YVLHZVERSA-N 0 0 447.409 4.600 40 10 IJCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000409059441 556936493 /nfs/dbraw/zinc/93/64/93/556936493.db2.gz NJVODLNFOYQUPW-BKUYFWCQSA-N 0 0 436.552 4.740 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O ZINC000409065665 556941567 /nfs/dbraw/zinc/94/15/67/556941567.db2.gz KCWUXABAIIVOAZ-DORSJAEJSA-N 0 0 426.538 4.815 40 10 IJCBRN CCN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N(CC)C1=S ZINC000409092445 556949274 /nfs/dbraw/zinc/94/92/74/556949274.db2.gz YHUSECAVGYZMBD-UHFFFAOYSA-N 0 0 430.982 4.870 40 10 IJCBRN O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409107696 556959410 /nfs/dbraw/zinc/95/94/10/556959410.db2.gz UALRWHHHCXOGSH-UNOMPAQXSA-N 0 0 427.457 4.571 40 10 IJCBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCCC1 ZINC000409132137 556963648 /nfs/dbraw/zinc/96/36/48/556963648.db2.gz ZLHHIBQNNXYARB-STZFKDTASA-N 0 0 447.585 4.670 40 10 IJCBRN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\NC(=S)N(C)C4=O)c3C)cc2)cc1 ZINC000409136534 556969562 /nfs/dbraw/zinc/96/95/62/556969562.db2.gz RQRYMHLEQDQORT-HMAPJEAMSA-N 0 0 433.533 4.582 40 10 IJCBRN CCOc1cc(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCC ZINC000409147514 556973385 /nfs/dbraw/zinc/97/33/85/556973385.db2.gz ZUHQOPNDHOANNT-OAHLLOKOSA-N 0 0 446.432 4.674 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409232835 557024360 /nfs/dbraw/zinc/02/43/60/557024360.db2.gz SJLGKZDBRJPWEM-BUVRLJJBSA-N 0 0 428.536 4.561 40 10 IJCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S ZINC000409330080 557064416 /nfs/dbraw/zinc/06/44/16/557064416.db2.gz KETNLKHJRAUZAU-UNOMPAQXSA-N 0 0 444.534 4.794 40 10 IJCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409334220 557066754 /nfs/dbraw/zinc/06/67/54/557066754.db2.gz WDKVVUDWTBRFOB-UNOMPAQXSA-N 0 0 427.547 4.651 40 10 IJCBRN Cc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409371483 557089666 /nfs/dbraw/zinc/08/96/66/557089666.db2.gz JCLDRZVTJUYQHQ-NTUHNPAUSA-N 0 0 428.322 4.833 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O ZINC000208512552 557093182 /nfs/dbraw/zinc/09/31/82/557093182.db2.gz OYIMESJKQPVBOP-UZUMKDMXSA-N 0 0 428.554 4.696 40 10 IJCBRN CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000110422948 557210854 /nfs/dbraw/zinc/21/08/54/557210854.db2.gz YQJOUGYVGFSZRD-VXLYETTFSA-N 0 0 442.606 4.534 40 10 IJCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3cccc(OC)c3)C2=O)cc1 ZINC000112289960 557238798 /nfs/dbraw/zinc/23/87/98/557238798.db2.gz PUAYLWAMNDQEPY-MOHJPFBDSA-N 0 0 427.504 4.519 40 10 IJCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 ZINC000013025184 557274345 /nfs/dbraw/zinc/27/43/45/557274345.db2.gz ZPBZYHPSCSMGMO-VWLOTQADSA-N 0 0 445.563 4.788 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCC)c1 ZINC000113834227 557307607 /nfs/dbraw/zinc/30/76/07/557307607.db2.gz HGPSYPOKKUMBNO-VCHYOVAHSA-N 0 0 430.507 4.798 40 10 IJCBRN COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C)c1C ZINC000222563010 557352747 /nfs/dbraw/zinc/35/27/47/557352747.db2.gz SSKCKILOYAUMRP-UHFFFAOYSA-N 0 0 436.943 4.915 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Br ZINC000222740405 557381701 /nfs/dbraw/zinc/38/17/01/557381701.db2.gz TVBFFLHXIXNLEE-PMACEKPBSA-N 0 0 441.398 4.854 40 10 IJCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000222776900 557385933 /nfs/dbraw/zinc/38/59/33/557385933.db2.gz CCDVCWMDPFCTOX-NHCUHLMSSA-N 0 0 426.973 4.841 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000222880255 557397274 /nfs/dbraw/zinc/39/72/74/557397274.db2.gz LKKAFUHYHSXVNO-DHIUTWEWSA-N 0 0 434.565 4.600 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)cc1 ZINC000033457870 557399320 /nfs/dbraw/zinc/39/93/20/557399320.db2.gz LMDYXSNTDFPKBE-FTNSYOLJSA-N 0 0 447.564 4.539 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000223008960 557415038 /nfs/dbraw/zinc/41/50/38/557415038.db2.gz XDZPSUXDBKUYHU-YADHBBJMSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223013367 557415337 /nfs/dbraw/zinc/41/53/37/557415337.db2.gz NQTMSXXSBDDHOI-DNQXCXABSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223013583 557415613 /nfs/dbraw/zinc/41/56/13/557415613.db2.gz SZLLUGFWGBHEJT-BJKOFHAPSA-N 0 0 434.609 4.725 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000223307210 557457521 /nfs/dbraw/zinc/45/75/21/557457521.db2.gz XHXUELQOWWUDDA-KSNOWIBYSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccn1 ZINC000223335519 557460239 /nfs/dbraw/zinc/46/02/39/557460239.db2.gz XAOFGEIQUKITGB-XZOQPEGZSA-N 0 0 429.549 4.650 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1O ZINC000223347078 557460772 /nfs/dbraw/zinc/46/07/72/557460772.db2.gz HTFURNLREZVXQW-ZEQRLZLVSA-N 0 0 444.560 4.960 40 10 IJCBRN COc1ccc(CCNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 ZINC000017096484 557476673 /nfs/dbraw/zinc/47/66/73/557476673.db2.gz NHFSPDGCLISBBD-MOHJPFBDSA-N 0 0 429.495 4.692 40 10 IJCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1ccccc1 ZINC000223480060 557477262 /nfs/dbraw/zinc/47/72/62/557477262.db2.gz VBYDZDAKRWBBLT-ZEQRLZLVSA-N 0 0 425.561 4.748 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O ZINC000223490670 557478870 /nfs/dbraw/zinc/47/88/70/557478870.db2.gz CVMGVITWNAIHCT-BKQORJHRSA-N 0 0 428.554 4.695 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc21 ZINC000223573969 557487726 /nfs/dbraw/zinc/48/77/26/557487726.db2.gz LMWLVHLBTFCFAO-JWQCQUIFSA-N 0 0 442.588 4.607 40 10 IJCBRN C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(N2CCCC2)cc1 ZINC000224025273 557546905 /nfs/dbraw/zinc/54/69/05/557546905.db2.gz BVJZOGXMNJRCEM-IBGZPJMESA-N 0 0 449.576 4.579 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CSc4ccccc4)c3)CC2)cc1 ZINC000224329562 557592504 /nfs/dbraw/zinc/59/25/04/557592504.db2.gz OFJQBYIHUZDASZ-UHFFFAOYSA-N 0 0 448.588 4.959 40 10 IJCBRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000225418061 557720831 /nfs/dbraw/zinc/72/08/31/557720831.db2.gz XQRGCWDSVWHSAB-UHFFFAOYSA-N 0 0 431.989 4.994 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000059435742 557820645 /nfs/dbraw/zinc/82/06/45/557820645.db2.gz KHITXOWKQJZVNG-DHDCSXOGSA-N 0 0 433.247 4.779 40 10 IJCBRN CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc1 ZINC000016688876 568938735 /nfs/dbraw/zinc/93/87/35/568938735.db2.gz SGTCGIPUSZNWRO-BOPFTXTBSA-N 0 0 439.587 4.699 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000010130591 569259116 /nfs/dbraw/zinc/25/91/16/569259116.db2.gz NXUKPFOWWFCJCQ-ZHZULCJRSA-N 0 0 429.472 4.734 40 10 IJCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 ZINC000040006336 569260342 /nfs/dbraw/zinc/26/03/42/569260342.db2.gz OGTMJLFVOOFQTA-TUNPGAEXSA-N 0 0 425.575 4.954 40 10 IJCBRN CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208309027 569261215 /nfs/dbraw/zinc/26/12/15/569261215.db2.gz YIMXVNWNDVPGNR-SKCQWOFPSA-N 0 0 430.570 4.787 40 10 IJCBRN CCN1C(=O)/C(=C/c2cccc(OCCCOc3cccc(OC)c3)c2)SC1=S ZINC000002882740 569424198 /nfs/dbraw/zinc/42/41/98/569424198.db2.gz OTOTXHWNUYAYBR-ZHZULCJRSA-N 0 0 429.563 4.764 40 10 IJCBRN N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000009246226 569515451 /nfs/dbraw/zinc/51/54/51/569515451.db2.gz VQLYWNIUWOAHKZ-SCORJZKRSA-N 0 0 446.463 4.784 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2cccc3ccccc32)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076748 569526513 /nfs/dbraw/zinc/52/65/13/569526513.db2.gz PFZZMDCSPDFGRO-OCTOJFLBSA-N 0 0 437.484 4.891 40 10 IJCBRN COc1cc(N2N=C(C)C(=CN=c3[nH]c4cc(C)c(C)cc4s3)C2=O)ccc1Cl ZINC000408533329 569584298 /nfs/dbraw/zinc/58/42/98/569584298.db2.gz RYAIIFYNDXPNKS-GDNBJRDFSA-N 0 0 426.929 5.294 40 10 IJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3ccccc3OCCOc3ccccc3)C2=N)S1 ZINC000041083442 519894652 /nfs/dbraw/zinc/89/46/52/519894652.db2.gz YCTOPFHZTPFCQO-QUTSUCTLSA-N 0 0 434.521 4.564 40 10 IJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(OC)c(Cl)c3)C2=N)S1 ZINC000041083365 519895676 /nfs/dbraw/zinc/89/56/76/519895676.db2.gz QLOIVLKUZOVGBB-JEGSZOCCSA-N 0 0 427.917 4.559 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 ZINC000033586333 520879446 /nfs/dbraw/zinc/87/94/46/520879446.db2.gz YOWXUBRXSSDOKZ-MGTNDIQKSA-N 0 0 437.956 4.854 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3ccc(OCCSc4ccccc4)cc3)CC2)cc1 ZINC000020452087 524419200 /nfs/dbraw/zinc/41/92/00/524419200.db2.gz YKGSTKNJJRQQBO-UHFFFAOYSA-N 0 0 448.588 4.829 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S ZINC000408578311 555918720 /nfs/dbraw/zinc/91/87/20/555918720.db2.gz XJDMDXNDDVEGBD-WQRHYEAKSA-N 0 0 446.981 4.967 40 10 IJCBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)c1O ZINC000408585682 555936159 /nfs/dbraw/zinc/93/61/59/555936159.db2.gz HDYHRKHGOSNGBM-BOPFTXTBSA-N 0 0 427.884 4.630 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408588512 555939441 /nfs/dbraw/zinc/93/94/41/555939441.db2.gz WRXDOQFUWHEFSY-UVTDQMKNSA-N 0 0 433.247 4.779 40 10 IJCBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(-n2c(C)ccc2C)c1 ZINC000408709072 556116369 /nfs/dbraw/zinc/11/63/69/556116369.db2.gz WYCHKTADYKWZRJ-KRWDZBQOSA-N 0 0 437.927 4.748 40 10 IJCBRN O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21)N1CCOCC1 ZINC000008740514 556206140 /nfs/dbraw/zinc/20/61/40/556206140.db2.gz PQWMZFKKGXLRIV-UEXGIBASSA-N 0 0 439.353 4.748 40 10 IJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2O)C1=O ZINC000008820558 556220825 /nfs/dbraw/zinc/22/08/25/556220825.db2.gz FHPOVDJBOJDVOJ-GEZYKDBCSA-N 0 0 438.574 4.959 40 10 IJCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2)cc1 ZINC000009189333 556252253 /nfs/dbraw/zinc/25/22/53/556252253.db2.gz DJVIBPXEWMSGPB-GAASDFDMSA-N 0 0 425.575 4.954 40 10 IJCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000032111837 556530622 /nfs/dbraw/zinc/53/06/22/556530622.db2.gz ITVRPNZKSCUDIG-VCHYOVAHSA-N 0 0 448.903 4.563 40 10 IJCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000032111823 556530643 /nfs/dbraw/zinc/53/06/43/556530643.db2.gz YVRXBXZQQCBLLQ-VCHYOVAHSA-N 0 0 448.903 4.563 40 10 IJCBRN CN(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000032597720 556542207 /nfs/dbraw/zinc/54/22/07/556542207.db2.gz VDFWBQISEACOJU-AQTBWJFISA-N 0 0 445.997 4.636 40 10 IJCBRN C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260452983 556719884 /nfs/dbraw/zinc/71/98/84/556719884.db2.gz BIDAOHVDBPBMIL-IRXDYDNUSA-N 0 0 431.374 4.942 40 10 IJCBRN C[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455455 556720522 /nfs/dbraw/zinc/72/05/22/556720522.db2.gz RTGABNKHGOSTFK-RBUKOAKNSA-N 0 0 427.548 4.914 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2cccc(C)c2)cc1 ZINC000408765631 556829674 /nfs/dbraw/zinc/82/96/74/556829674.db2.gz WVFBDZHYTRAEPZ-HZHRSRAPSA-N 0 0 428.488 4.855 40 10 IJCBRN CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408765775 556829798 /nfs/dbraw/zinc/82/97/98/556829798.db2.gz ZTLFATHDGYCNBZ-JJIBRWJFSA-N 0 0 428.488 4.937 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408766716 556829993 /nfs/dbraw/zinc/82/99/93/556829993.db2.gz DMMJTECLIKDFIE-JCMHNJIXSA-N 0 0 429.472 4.821 40 10 IJCBRN COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br ZINC000408972636 556907515 /nfs/dbraw/zinc/90/75/15/556907515.db2.gz QDMCAAJFQMTUCS-LCYFTJDESA-N 0 0 425.204 4.806 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O ZINC000409010154 556917646 /nfs/dbraw/zinc/91/76/46/556917646.db2.gz JUKGWAOSJXHANU-DAQNXSASSA-N 0 0 426.538 4.699 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OC(C)C ZINC000409039533 556928134 /nfs/dbraw/zinc/92/81/34/556928134.db2.gz GXQMUKAXODBFGX-KPKJPENVSA-N 0 0 440.368 4.984 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(Br)c1 ZINC000409060589 556937528 /nfs/dbraw/zinc/93/75/28/556937528.db2.gz VASDOCJRFYBOLO-PTNGSMBKSA-N 0 0 432.701 4.980 40 10 IJCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000409071032 556945379 /nfs/dbraw/zinc/94/53/79/556945379.db2.gz PUDCAEJEGJNQGT-UDWIEESQSA-N 0 0 449.894 4.631 40 10 IJCBRN O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409084331 556948446 /nfs/dbraw/zinc/94/84/46/556948446.db2.gz BFYCFUUSLXRKQL-HRVJUDJTSA-N 0 0 429.538 4.785 40 10 IJCBRN Cc1cccc(COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)c1 ZINC000409086863 556950673 /nfs/dbraw/zinc/95/06/73/556950673.db2.gz RZFOYOCIZHWQGE-GAASDFDMSA-N 0 0 425.575 4.954 40 10 IJCBRN Cc1cccc(COc2ccccc2/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c1 ZINC000409124189 556964086 /nfs/dbraw/zinc/96/40/86/556964086.db2.gz AAWWBCVNDKZJOJ-JCMHNJIXSA-N 0 0 428.513 4.974 40 10 IJCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S ZINC000409145547 556976720 /nfs/dbraw/zinc/97/67/20/556976720.db2.gz QGTNNZMWOAFHDE-NDENLUEZSA-N 0 0 441.622 4.511 40 10 IJCBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409177615 556986670 /nfs/dbraw/zinc/98/66/70/556986670.db2.gz BAMPGWLMVBVHTG-REZTVBANSA-N 0 0 439.917 4.911 40 10 IJCBRN COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000409328337 557062598 /nfs/dbraw/zinc/06/25/98/557062598.db2.gz SJVQIDWAPLYUBD-GZTJUZNOSA-N 0 0 449.395 4.930 40 10 IJCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O ZINC000409333317 557066061 /nfs/dbraw/zinc/06/60/61/557066061.db2.gz RUALLTMDVUYABA-OVCLIPMQSA-N 0 0 436.898 4.758 40 10 IJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)SC2=S)cc1 ZINC000409337948 557073135 /nfs/dbraw/zinc/07/31/35/557073135.db2.gz ADXYPTQTDDKAHD-XYOKQWHBSA-N 0 0 427.288 4.598 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c(Br)cc1O ZINC000409350511 557078482 /nfs/dbraw/zinc/07/84/82/557078482.db2.gz RRGMCFQCVIGQKY-VIZOYTHASA-N 0 0 440.315 4.708 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208261537 557080026 /nfs/dbraw/zinc/08/00/26/557080026.db2.gz DSWDFCGCOHLKGI-MXFINWHRSA-N 0 0 436.961 4.660 40 10 IJCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc21 ZINC000208470787 557092009 /nfs/dbraw/zinc/09/20/09/557092009.db2.gz PHPBGWAOBYEBIF-QGMBQPNBSA-N 0 0 448.972 4.960 40 10 IJCBRN Cc1cc2nc3s/c(=C\c4ccc(N5CCCC5)c5ccccc45)c(=O)n3c2cc1C ZINC000409389898 557101043 /nfs/dbraw/zinc/10/10/43/557101043.db2.gz CVQRQQTZKYYNDE-IWIPYMOSSA-N 0 0 425.557 4.827 40 10 IJCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000000889010 557116728 /nfs/dbraw/zinc/11/67/28/557116728.db2.gz GGZBFXYPTZUXKO-SLSDLSHTSA-N 0 0 438.593 4.657 40 10 IJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12 ZINC000103918460 557140459 /nfs/dbraw/zinc/14/04/59/557140459.db2.gz PDVSUCGUDGKOCI-ULJHMMPZSA-N 0 0 445.523 4.994 40 10 IJCBRN C[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218318457 557192748 /nfs/dbraw/zinc/19/27/48/557192748.db2.gz RTGABNKHGOSTFK-MOPGFXCFSA-N 0 0 427.548 4.914 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1cc(C)ccc1C ZINC000033390942 557319176 /nfs/dbraw/zinc/31/91/76/557319176.db2.gz CSUNIYQUWGCKTL-ZHZULCJRSA-N 0 0 443.590 4.991 40 10 IJCBRN COc1cc(N2CCCCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222596435 557358443 /nfs/dbraw/zinc/35/84/43/557358443.db2.gz WECYAEFVZBPSGG-PBNUPURSSA-N 0 0 438.597 4.678 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222618968 557362900 /nfs/dbraw/zinc/36/29/00/557362900.db2.gz SSPPVKGTRINDQQ-BJQRDSPESA-N 0 0 432.549 4.807 40 10 IJCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCOC)c1C ZINC000223007271 557414831 /nfs/dbraw/zinc/41/48/31/557414831.db2.gz FKKAYXXUZODWNO-DNQXCXABSA-N 0 0 434.609 4.670 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3Br)C(C(=O)OC)=C2C)cc1 ZINC000014414551 557445609 /nfs/dbraw/zinc/44/56/09/557445609.db2.gz CUNZCHBHFGNPRQ-AQTBWJFISA-N 0 0 442.309 4.725 40 10 IJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014414491 557445667 /nfs/dbraw/zinc/44/56/67/557445667.db2.gz VMQVYUBZNKORBK-FDIDITGRSA-N 0 0 442.309 4.589 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223561695 557486184 /nfs/dbraw/zinc/48/61/84/557486184.db2.gz WYFHIGXBORDGHL-RBXCXTNXSA-N 0 0 430.570 4.785 40 10 IJCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cccc(OC)c3OC)C2=O)cc1 ZINC000019638250 557503556 /nfs/dbraw/zinc/50/35/56/557503556.db2.gz AKRXBYWJQAUXEI-QJOMJCCJSA-N 0 0 443.503 4.849 40 10 IJCBRN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(N2CCCC2)cc1 ZINC000223970506 557536656 /nfs/dbraw/zinc/53/66/56/557536656.db2.gz YCKFMSLDSMQAML-IBGZPJMESA-N 0 0 449.576 4.579 40 10 IJCBRN COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(N3CCC[C@@H](C)C3)cc1)CCCC2 ZINC000225236994 557703422 /nfs/dbraw/zinc/70/34/22/557703422.db2.gz GXDPUIPWOBNPON-RTBURBONSA-N 0 0 442.625 4.850 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000033908680 557810231 /nfs/dbraw/zinc/81/02/31/557810231.db2.gz ZXICIMVIHFDEKO-CJLVFECKSA-N 0 0 432.501 4.569 40 10 IJCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000059138749 557816287 /nfs/dbraw/zinc/81/62/87/557816287.db2.gz RBVQJJWZUQDVCR-FYJGNVAPSA-N 0 0 433.895 4.756 40 10 IJCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000059109578 557820671 /nfs/dbraw/zinc/82/06/71/557820671.db2.gz IVYZXYIYPZPHCJ-UHFFFAOYSA-N 0 0 435.593 4.741 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000096475544 557838243 /nfs/dbraw/zinc/83/82/43/557838243.db2.gz WGIJCPSHFMNFLV-XQNSMLJCSA-N 0 0 425.488 4.819 40 10 IJCBRN COC(=O)c1cc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl ZINC000260740003 557852545 /nfs/dbraw/zinc/85/25/45/557852545.db2.gz RNAFIRDTWWMMKI-HNNXBMFYSA-N 0 0 431.989 4.850 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260916236 568629949 /nfs/dbraw/zinc/62/99/49/568629949.db2.gz ICJFRMZOMBNEMO-XZOQPEGZSA-N 0 0 436.625 4.722 40 10 IJCBRN CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)N1CCOCC1)c(O)c1ccccc21 ZINC000001448561 568908910 /nfs/dbraw/zinc/90/89/10/568908910.db2.gz YEPLREYRBNQPDU-HSZRJFAPSA-N 0 0 446.503 4.593 40 10 IJCBRN CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000222064050 569261505 /nfs/dbraw/zinc/26/15/05/569261505.db2.gz DCESOQIBGCABTO-YRNVUSSQSA-N 0 0 426.341 4.596 40 10 IJCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000408537239 569583573 /nfs/dbraw/zinc/58/35/73/569583573.db2.gz ZRYVFDXEMWINCS-GDNBJRDFSA-N 0 0 441.354 5.394 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2ccccc2F)C(=O)N=C2SC(Cc3cccs3)=NN21 ZINC000041108423 526837100 /nfs/dbraw/zinc/83/71/00/526837100.db2.gz VJFBBBNCICCOGU-OOYUFVOFSA-N 0 0 435.509 4.540 40 10 IJCBRN Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3c(Cl)cc(Cl)cc3Cl)C2=O)c1 ZINC000408527244 555717270 /nfs/dbraw/zinc/71/72/70/555717270.db2.gz FNZNISYKLULZMF-XYOKQWHBSA-N 0 0 438.698 4.842 40 10 IJCBRN Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1 ZINC000408573203 555923035 /nfs/dbraw/zinc/92/30/35/555923035.db2.gz IZZXOAOEWJXEFF-UNOMPAQXSA-N 0 0 426.563 4.622 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000035376105 556088578 /nfs/dbraw/zinc/08/85/78/556088578.db2.gz BRBSRMIISCTQHG-GDNBJRDFSA-N 0 0 433.247 4.779 40 10 IJCBRN CCOc1ccc(NC(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 ZINC000008820618 556220792 /nfs/dbraw/zinc/22/07/92/556220792.db2.gz RIALVUNAKNINAW-SDEVTQOVSA-N 0 0 438.574 4.872 40 10 IJCBRN COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000009444616 556292096 /nfs/dbraw/zinc/29/20/96/556292096.db2.gz OKUHSDVSEMZWJS-QGOAFFKASA-N 0 0 446.981 4.969 40 10 IJCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C2=N)S1 ZINC000033662557 556620026 /nfs/dbraw/zinc/62/00/26/556620026.db2.gz HBBKZAPRCMEGHU-BIWIXZEJSA-N 0 0 437.594 4.986 40 10 IJCBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(N)cc3)n2-c2ccccc2)cc1 ZINC000000930567 556755952 /nfs/dbraw/zinc/75/59/52/556755952.db2.gz BJWGEEJAXWKBJP-UHFFFAOYSA-N 0 0 444.564 4.501 40 10 IJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000408767157 556830053 /nfs/dbraw/zinc/83/00/53/556830053.db2.gz DTKWRXYUYMHUQD-UHFFFAOYSA-N 0 0 443.293 4.782 40 10 IJCBRN CCOC(=O)c1c(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000006599660 556837748 /nfs/dbraw/zinc/83/77/48/556837748.db2.gz LVBGGSMMLMVMHD-UHFFFAOYSA-N 0 0 434.945 4.814 40 10 IJCBRN COc1cc(OC)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408900978 556882276 /nfs/dbraw/zinc/88/22/76/556882276.db2.gz BAQXVXXHFPEKRR-CXUHLZMHSA-N 0 0 436.352 4.872 40 10 IJCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1 ZINC000408901227 556882501 /nfs/dbraw/zinc/88/25/01/556882501.db2.gz CGSQWJANBCVRND-OEAKJJBVSA-N 0 0 427.504 4.995 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000408901503 556882600 /nfs/dbraw/zinc/88/26/00/556882600.db2.gz GGEWAYSHLDCMMA-GDNBJRDFSA-N 0 0 436.352 4.872 40 10 IJCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1 ZINC000408934490 556895541 /nfs/dbraw/zinc/89/55/41/556895541.db2.gz LSNDQPGQONBZAA-QNGOZBTKSA-N 0 0 435.549 4.660 40 10 IJCBRN Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000408961624 556901178 /nfs/dbraw/zinc/90/11/78/556901178.db2.gz UCPHVRDZAIVZDV-JAIQZWGSSA-N 0 0 430.335 4.995 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000409016976 556921643 /nfs/dbraw/zinc/92/16/43/556921643.db2.gz CGDAORPBAKBHCR-IDUWFGFVSA-N 0 0 433.247 4.779 40 10 IJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)C(C(=O)OC)=C2C)cc1 ZINC000409021305 556922066 /nfs/dbraw/zinc/92/20/66/556922066.db2.gz AQANEFADPBMZGH-KQWNVCNZSA-N 0 0 441.483 4.894 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000409069216 556942869 /nfs/dbraw/zinc/94/28/69/556942869.db2.gz LZXLTCIDJDJJEP-SXGWCWSVSA-N 0 0 448.302 4.888 40 10 IJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)S1 ZINC000409077596 556944330 /nfs/dbraw/zinc/94/43/30/556944330.db2.gz DWGNFUISECZNIC-FRKPEAEDSA-N 0 0 439.295 4.818 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000409074060 556946915 /nfs/dbraw/zinc/94/69/15/556946915.db2.gz XPAPRIWKMJKAQA-RBYWHNRPSA-N 0 0 440.565 4.989 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000409104770 556952915 /nfs/dbraw/zinc/95/29/15/556952915.db2.gz IAHZMOPATJMXDD-RGVLZGJSSA-N 0 0 426.538 4.699 40 10 IJCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)c1 ZINC000409100545 556955195 /nfs/dbraw/zinc/95/51/95/556955195.db2.gz UMGJUAJRSOBMHL-XDHOZWIPSA-N 0 0 435.505 4.879 40 10 IJCBRN O=C(NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)S1)c1ccccc1 ZINC000409131739 556963416 /nfs/dbraw/zinc/96/34/16/556963416.db2.gz XUYJFVXHEXOHTD-STZFKDTASA-N 0 0 432.476 4.805 40 10 IJCBRN COCCN1C(=O)[C@@H](Cc2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000409149641 556974530 /nfs/dbraw/zinc/97/45/30/556974530.db2.gz MBFGNZRHDIJVRY-JOCHJYFZSA-N 0 0 437.586 4.837 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1C ZINC000409145371 556976763 /nfs/dbraw/zinc/97/67/63/556976763.db2.gz OUGXXXNCLXIHIY-LICLKQGHSA-N 0 0 432.954 4.512 40 10 IJCBRN CCN1C(=O)[C@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)SC1=S ZINC000409162526 556981272 /nfs/dbraw/zinc/98/12/72/556981272.db2.gz WMICQWDXNMLLRV-KRWDZBQOSA-N 0 0 436.396 4.819 40 10 IJCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 ZINC000409182775 556990020 /nfs/dbraw/zinc/99/00/20/556990020.db2.gz NVSMMNHWEBOESG-ASGKXULQSA-N 0 0 430.464 4.675 40 10 IJCBRN CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000409329256 557063517 /nfs/dbraw/zinc/06/35/17/557063517.db2.gz CWYNZVLKPAFYOK-CXUHLZMHSA-N 0 0 438.343 4.998 40 10 IJCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Br ZINC000409351565 557079057 /nfs/dbraw/zinc/07/90/57/557079057.db2.gz VCXYJYPTZXLUFN-GZTJUZNOSA-N 0 0 449.395 4.930 40 10 IJCBRN CCOc1ccc(C=C2SC(Nc3ccccc3Br)=NC2=O)cc1OC ZINC000001838573 557126318 /nfs/dbraw/zinc/12/63/18/557126318.db2.gz IIBBTDVHPPSXQA-GZTJUZNOSA-N 0 0 433.327 4.939 40 10 IJCBRN COc1ccccc1OCCNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112296383 557239661 /nfs/dbraw/zinc/23/96/61/557239661.db2.gz CJABEWRBHMYWJR-MOHJPFBDSA-N 0 0 445.494 4.528 40 10 IJCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1 ZINC000112294339 557239720 /nfs/dbraw/zinc/23/97/20/557239720.db2.gz DVMXQCPPAHJSMN-NDENLUEZSA-N 0 0 448.306 4.654 40 10 IJCBRN COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O ZINC000260567816 557296786 /nfs/dbraw/zinc/29/67/86/557296786.db2.gz MVIYVTHUAYPUJC-GDXCHIGESA-N 0 0 430.570 4.705 40 10 IJCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(C)C)c(Br)c3)N21 ZINC000222647736 557368163 /nfs/dbraw/zinc/36/81/63/557368163.db2.gz KVPRDMGRYLOAON-ZOCIIQOWSA-N 0 0 431.403 4.890 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Br ZINC000222740274 557381761 /nfs/dbraw/zinc/38/17/61/557381761.db2.gz TVBFFLHXIXNLEE-UXHICEINSA-N 0 0 441.398 4.854 40 10 IJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222743153 557381817 /nfs/dbraw/zinc/38/18/17/557381817.db2.gz JNKRSKZYFGSYBH-DNQXCXABSA-N 0 0 433.625 4.938 40 10 IJCBRN CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222743266 557381957 /nfs/dbraw/zinc/38/19/57/557381957.db2.gz JNKRSKZYFGSYBH-BJKOFHAPSA-N 0 0 433.625 4.938 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000222900348 557400666 /nfs/dbraw/zinc/40/06/66/557400666.db2.gz POMZCJLXPHBJKV-PKTZIBPZSA-N 0 0 448.592 4.658 40 10 IJCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 ZINC000223007544 557414841 /nfs/dbraw/zinc/41/48/41/557414841.db2.gz VGUMWXJRQJVNBZ-DNQXCXABSA-N 0 0 434.609 4.670 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014406601 557443839 /nfs/dbraw/zinc/44/38/39/557443839.db2.gz ZBRNKLHCYHEGJM-PDGQHHTCSA-N 0 0 442.309 4.730 40 10 IJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000014414481 557445597 /nfs/dbraw/zinc/44/55/97/557445597.db2.gz YRFPSLSOSNKUMZ-CYUIRQCWSA-N 0 0 426.856 4.682 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccn1 ZINC000223335409 557460144 /nfs/dbraw/zinc/46/01/44/557460144.db2.gz XAOFGEIQUKITGB-DHIUTWEWSA-N 0 0 429.549 4.650 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O ZINC000223490840 557478841 /nfs/dbraw/zinc/47/88/41/557478841.db2.gz PICFNJMLMKYTCP-YBFXNURJSA-N 0 0 428.554 4.696 40 10 IJCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NC2CCCC2)cc1 ZINC000017098065 557480591 /nfs/dbraw/zinc/48/05/91/557480591.db2.gz PLZZSYADQTUNJM-QNGOZBTKSA-N 0 0 432.549 4.862 40 10 IJCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1ccccc1 ZINC000223517853 557481570 /nfs/dbraw/zinc/48/15/70/557481570.db2.gz PAEJXSGLQDEGLL-ZEQRLZLVSA-N 0 0 425.561 4.748 40 10 IJCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cccc(OC)c2OC)cc1 ZINC000019638239 557503201 /nfs/dbraw/zinc/50/32/01/557503201.db2.gz BWQJLVVICPKIKB-QJOMJCCJSA-N 0 0 443.503 4.849 40 10 IJCBRN CCN(CCCNC(=O)c1cc(Br)ccc1Cl)c1ccc(OC)cc1 ZINC000225076133 557685474 /nfs/dbraw/zinc/68/54/74/557685474.db2.gz FPMHVKQDMDXISV-UHFFFAOYSA-N 0 0 425.754 4.758 40 10 IJCBRN CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000225418011 557720794 /nfs/dbraw/zinc/72/07/94/557720794.db2.gz WAMRJNHQXAMXKB-UHFFFAOYSA-N 0 0 431.989 4.994 40 10 IJCBRN COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 ZINC000041076359 557805864 /nfs/dbraw/zinc/80/58/64/557805864.db2.gz OITPHSMGUZLHSV-FBIWUZAXSA-N 0 0 433.537 4.685 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)SC2=S)cc1 ZINC000059418158 557823166 /nfs/dbraw/zinc/82/31/66/557823166.db2.gz ZMUUVDNKLQMWAJ-GZTJUZNOSA-N 0 0 449.395 4.930 40 10 IJCBRN Cc1ccc(Nc2cc3c(c4c2C(=O)c2ccccc2C4=O)N[S@@](=O)N3CC(C)C)cc1 ZINC000248116630 569207090 /nfs/dbraw/zinc/20/70/90/569207090.db2.gz PVXDHTHMOZHNOX-JGCGQSQUSA-N 0 0 445.544 4.981 40 10 IJCBRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2Cc2ccc(N3CCCC3)cc2C)nc1C ZINC000019765513 569238824 /nfs/dbraw/zinc/23/88/24/569238824.db2.gz IFIQBSNORKLMSW-VWLOTQADSA-N 0 0 449.643 4.903 40 10 IJCBRN COc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000209468552 569261539 /nfs/dbraw/zinc/26/15/39/569261539.db2.gz LDBRFYQHQMLWBL-CXUHLZMHSA-N 0 0 436.352 4.872 40 10 IJCBRN COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009015731 569293039 /nfs/dbraw/zinc/29/30/39/569293039.db2.gz GHHJGXVNRJTYMV-UBFVSLLYSA-N 0 0 449.506 4.601 40 10 IJCBRN N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000027828379 569301691 /nfs/dbraw/zinc/30/16/91/569301691.db2.gz RMIMKHXDIGDLAA-NTNBEHHGSA-N 0 0 445.729 4.770 40 10 IJCBRN Cc1cccc(C2=NN3C(=NC(=O)/C(=C\c4cccn4-c4cccc(F)c4)C3=N)S2)c1 ZINC000041076698 569526499 /nfs/dbraw/zinc/52/64/99/569526499.db2.gz XUYHTSLVCGINNI-NREDLREFSA-N 0 0 429.480 4.592 40 10 IJCBRN CC[n+]1c(/C=C2\C=Cc3ccc(C)cc3N2CCCS(=O)(=O)[O-])ccc2cc(C)ccc21 ZINC000006134638 132276162 /nfs/dbraw/zinc/27/61/62/132276162.db2.gz VDRDYKSAJYQTRY-UHFFFAOYSA-O 0 0 449.596 4.916 40 10 IJCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C2=N)S1 ZINC000041083117 519945847 /nfs/dbraw/zinc/94/58/47/519945847.db2.gz DHYVKSMEGTZJNC-VGCFXMIHSA-N 0 0 448.390 4.715 40 10 IJCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=N)S1 ZINC000034799330 555918630 /nfs/dbraw/zinc/91/86/30/555918630.db2.gz ZGQYMIAYRNCCPL-HUMIGVHUSA-N 0 0 427.530 4.563 40 10 IJCBRN CC(C)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000408601866 555970562 /nfs/dbraw/zinc/97/05/62/555970562.db2.gz LTMNRLSNXPUDFO-WOJGMQOQSA-N 0 0 446.981 4.921 40 10 IJCBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(-n2c(C)ccc2C)c1 ZINC000408708943 556114716 /nfs/dbraw/zinc/11/47/16/556114716.db2.gz VNPODWXFJIPCRE-KRWDZBQOSA-N 0 0 437.927 4.748 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000008819086 556218774 /nfs/dbraw/zinc/21/87/74/556218774.db2.gz SARFNINRQUSYJU-UNOMPAQXSA-N 0 0 426.563 4.542 40 10 IJCBRN CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 ZINC000008819707 556219545 /nfs/dbraw/zinc/21/95/45/556219545.db2.gz UQNRCQPXVPREBM-SQFISAMPSA-N 0 0 446.623 4.501 40 10 IJCBRN Cc1ccc(C)c(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)c1 ZINC000008821647 556223355 /nfs/dbraw/zinc/22/33/55/556223355.db2.gz CYMOTSPOBGICKJ-NXVVXOECSA-N 0 0 445.363 4.794 40 10 IJCBRN CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 ZINC000008951779 556235814 /nfs/dbraw/zinc/23/58/14/556235814.db2.gz ASRUIQFFCGFIKA-XMHGGMMESA-N 0 0 426.563 4.624 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(/C=C2/C(=O)N(c3ccccc3)N[C@@H]2C)c1 ZINC000016605583 556617063 /nfs/dbraw/zinc/61/70/63/556617063.db2.gz ARUIUQLJGJFWIL-DLVLJXPMSA-N 0 0 448.526 4.816 40 10 IJCBRN CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000000924805 556752367 /nfs/dbraw/zinc/75/23/67/556752367.db2.gz MVUHQMAAVHXFLS-NRFANRHFSA-N 0 0 437.565 4.859 40 10 IJCBRN CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000001355555 556782285 /nfs/dbraw/zinc/78/22/85/556782285.db2.gz FCRKGVXOLRJXDQ-UHFFFAOYSA-N 0 0 427.501 4.617 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000408764150 556829453 /nfs/dbraw/zinc/82/94/53/556829453.db2.gz WFZVWYBCZYPGLY-XQNSMLJCSA-N 0 0 443.459 4.837 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2OC)cc1 ZINC000408840245 556867283 /nfs/dbraw/zinc/86/72/83/556867283.db2.gz CUXHTIFWVQZQMA-OQKWZONESA-N 0 0 428.488 4.937 40 10 IJCBRN COc1cccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)c1 ZINC000408844511 556868377 /nfs/dbraw/zinc/86/83/77/556868377.db2.gz TZVCSFLKGYQYIY-KGENOOAVSA-N 0 0 449.304 4.998 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2OC)cc1 ZINC000408845752 556868976 /nfs/dbraw/zinc/86/89/76/556868976.db2.gz RNHRZDBREQXKNT-PXLXIMEGSA-N 0 0 444.487 4.556 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408843392 556869579 /nfs/dbraw/zinc/86/95/79/556869579.db2.gz MEBJMVABQLBNPS-RCCKNPSSSA-N 0 0 428.488 4.855 40 10 IJCBRN CCOc1cc(OC)ccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408874851 556876160 /nfs/dbraw/zinc/87/61/60/556876160.db2.gz DKQIZQQFEKTPBC-UHFFFAOYSA-N 0 0 442.471 4.677 40 10 IJCBRN CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000408885390 556877900 /nfs/dbraw/zinc/87/79/00/556877900.db2.gz ZDYXGADMNUWTKS-JCMHNJIXSA-N 0 0 444.462 4.634 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408895178 556880597 /nfs/dbraw/zinc/88/05/97/556880597.db2.gz UDTDRZNTFVYDOI-BOPFTXTBSA-N 0 0 442.855 4.524 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc43)C(C(=O)OC)=C2C)cc1 ZINC000408892116 556881365 /nfs/dbraw/zinc/88/13/65/556881365.db2.gz GGNQSUKTQJMLBH-JCMHNJIXSA-N 0 0 429.472 4.821 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408904637 556883893 /nfs/dbraw/zinc/88/38/93/556883893.db2.gz MNGMKADSVSKSEE-PXLXIMEGSA-N 0 0 429.451 4.649 40 10 IJCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000408959822 556899773 /nfs/dbraw/zinc/89/97/73/556899773.db2.gz GJJLZZACKSFZGW-UYRXBGFRSA-N 0 0 441.940 4.615 40 10 IJCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)N(CC)C1=S ZINC000408967562 556903228 /nfs/dbraw/zinc/90/32/28/556903228.db2.gz QYJOGIRQBGCYAQ-UHFFFAOYSA-N 0 0 437.609 4.771 40 10 IJCBRN O=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970687 556904395 /nfs/dbraw/zinc/90/43/95/556904395.db2.gz BZSAEDLUGPPDPS-AQTBWJFISA-N 0 0 426.354 4.734 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000408977829 556907082 /nfs/dbraw/zinc/90/70/82/556907082.db2.gz KDDKLKJDRMLABN-AUWJEWJLSA-N 0 0 432.259 4.599 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408999824 556914039 /nfs/dbraw/zinc/91/40/39/556914039.db2.gz XTLHOBKGGLXIIP-UDWIEESQSA-N 0 0 432.863 4.912 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 ZINC000409004652 556915350 /nfs/dbraw/zinc/91/53/50/556915350.db2.gz BAQXCNUCTDBWKU-JLPGSUDCSA-N 0 0 425.488 4.819 40 10 IJCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409018645 556920096 /nfs/dbraw/zinc/92/00/96/556920096.db2.gz NSRMDGGNFDFWDM-BKUYFWCQSA-N 0 0 435.520 4.603 40 10 IJCBRN CCCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2)C(=O)N(c2ccccc2)C1=S ZINC000409021816 556922513 /nfs/dbraw/zinc/92/25/13/556922513.db2.gz ABRGBPLHQYFZNP-OQKWZONESA-N 0 0 429.545 4.739 40 10 IJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000409029715 556927719 /nfs/dbraw/zinc/92/77/19/556927719.db2.gz APLAOIDAEOQNTB-FMIVXFBMSA-N 0 0 425.357 4.772 40 10 IJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000409041194 556929252 /nfs/dbraw/zinc/92/92/52/556929252.db2.gz ZRVUBQCYKWYIJX-WAPJZHGLSA-N 0 0 430.716 4.570 40 10 IJCBRN O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409084327 556948410 /nfs/dbraw/zinc/94/84/10/556948410.db2.gz BFYCFUUSLXRKQL-BDBXIWDTSA-N 0 0 429.538 4.785 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O ZINC000409089422 556951320 /nfs/dbraw/zinc/95/13/20/556951320.db2.gz NONQSSNVONACLP-UHPUNMKFSA-N 0 0 432.929 4.654 40 10 IJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O ZINC000409101892 556956058 /nfs/dbraw/zinc/95/60/58/556956058.db2.gz BWFYBCXQSPPKAY-XKZIYDEJSA-N 0 0 438.549 4.849 40 10 IJCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)c(Cl)c1 ZINC000409161664 556980897 /nfs/dbraw/zinc/98/08/97/556980897.db2.gz OMYMNJRYLAWXLC-NVNXTCNLSA-N 0 0 441.336 4.987 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(OC)c1 ZINC000409205814 557003677 /nfs/dbraw/zinc/00/36/77/557003677.db2.gz FXIUYEKIIMQZNM-LZYBPNLTSA-N 0 0 436.352 4.872 40 10 IJCBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C ZINC000409231673 557023189 /nfs/dbraw/zinc/02/31/89/557023189.db2.gz FHKMWVIGZJAAMB-UDWIEESQSA-N 0 0 435.911 4.849 40 10 IJCBRN O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 ZINC000409331749 557065477 /nfs/dbraw/zinc/06/54/77/557065477.db2.gz PJEDWQHEHATSDJ-MOSHPQCFSA-N 0 0 435.530 4.846 40 10 IJCBRN O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409344075 557071122 /nfs/dbraw/zinc/07/11/22/557071122.db2.gz FGLAXZFULUNIHH-TVPGTPATSA-N 0 0 438.845 4.522 40 10 IJCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S ZINC000409334907 557072163 /nfs/dbraw/zinc/07/21/63/557072163.db2.gz WXHKCXPZQOELHD-UNOMPAQXSA-N 0 0 444.534 4.794 40 10 IJCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409339381 557074636 /nfs/dbraw/zinc/07/46/36/557074636.db2.gz UTDYPPCTBWFAIJ-UYRXBGFRSA-N 0 0 425.535 4.909 40 10 IJCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)SC2=S)cc1C ZINC000409346983 557075330 /nfs/dbraw/zinc/07/53/30/557075330.db2.gz LVVVBRZRQSDMTR-JYRVWZFOSA-N 0 0 441.315 4.907 40 10 IJCBRN O=C1NC(=S)S/C1=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409348381 557076540 /nfs/dbraw/zinc/07/65/40/557076540.db2.gz SKBOBAHRUHTAQQ-AUWJEWJLSA-N 0 0 426.397 4.895 40 10 IJCBRN COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000106752682 557160788 /nfs/dbraw/zinc/16/07/88/557160788.db2.gz FXZIBGYOCQQSEG-APSNUPSMSA-N 0 0 439.320 4.610 40 10 IJCBRN Cc1cc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc(C)c1Br ZINC000218841166 557218279 /nfs/dbraw/zinc/21/82/79/557218279.db2.gz HOUDJAANBMSZEV-UHFFFAOYSA-N 0 0 431.374 4.751 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)[C@H]1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000100998759 557280809 /nfs/dbraw/zinc/28/08/09/557280809.db2.gz TWBVNCGGUAANMN-RUZDIDTESA-N 0 0 426.564 4.989 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Br)cc1 ZINC000222740817 557381664 /nfs/dbraw/zinc/38/16/64/557381664.db2.gz AQWJSODWXFKCKJ-UXHICEINSA-N 0 0 441.398 4.854 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Br)c1 ZINC000222740668 557381717 /nfs/dbraw/zinc/38/17/17/557381717.db2.gz TVXZLPVDPNBIRJ-PMACEKPBSA-N 0 0 441.398 4.854 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Br)c1 ZINC000222740483 557381722 /nfs/dbraw/zinc/38/17/22/557381722.db2.gz TVXZLPVDPNBIRJ-WOJBJXKFSA-N 0 0 441.398 4.854 40 10 IJCBRN COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(N3CCCCC3)cc1)CCCC2 ZINC000222819200 557390105 /nfs/dbraw/zinc/39/01/05/557390105.db2.gz PJDNMFQCGKREGT-SFHVURJKSA-N 0 0 428.598 4.604 40 10 IJCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 ZINC000222854691 557394784 /nfs/dbraw/zinc/39/47/84/557394784.db2.gz ZRHQXHHOINDEPY-DHIUTWEWSA-N 0 0 448.592 4.657 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000223009339 557415015 /nfs/dbraw/zinc/41/50/15/557415015.db2.gz LREXXCJUHPAWMS-FGZHOGPDSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223014061 557415628 /nfs/dbraw/zinc/41/56/28/557415628.db2.gz CXQNAICRYGFFGN-RPWUZVMVSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000223041398 557419998 /nfs/dbraw/zinc/41/99/98/557419998.db2.gz ICJFRMZOMBNEMO-PKTZIBPZSA-N 0 0 436.625 4.722 40 10 IJCBRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000223121931 557434618 /nfs/dbraw/zinc/43/46/18/557434618.db2.gz TXIYLDCOCLGJFJ-ULJHMMPZSA-N 0 0 445.588 4.744 40 10 IJCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1ccccc1 ZINC000223517747 557481565 /nfs/dbraw/zinc/48/15/65/557481565.db2.gz PAEJXSGLQDEGLL-RPWUZVMVSA-N 0 0 425.561 4.748 40 10 IJCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1ccccc1 ZINC000223558640 557486024 /nfs/dbraw/zinc/48/60/24/557486024.db2.gz CNHUBVJCJAYNNH-RPWUZVMVSA-N 0 0 425.561 4.748 40 10 IJCBRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)C1 ZINC000223707098 557504467 /nfs/dbraw/zinc/50/44/67/557504467.db2.gz UFMGOECUSHATPX-SFHVURJKSA-N 0 0 428.598 4.505 40 10 IJCBRN Cc1cc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1N1CCCC1=O ZINC000260735324 557851643 /nfs/dbraw/zinc/85/16/43/557851643.db2.gz GNOQNBFIXBQZEX-SFHVURJKSA-N 0 0 436.625 4.845 40 10 IJCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)cc21 ZINC000223298209 193964086 /nfs/dbraw/zinc/96/40/86/193964086.db2.gz RROLVNUBDYGXOQ-WUMKDDEVSA-N 0 0 448.636 4.865 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000223307648 193965117 /nfs/dbraw/zinc/96/51/17/193965117.db2.gz PFBSTBZJCWGQBM-GPUOULLFSA-N 0 0 446.620 4.949 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3cc4sccc4n3Cc3ccccc3)CC2)cc1 ZINC000013083047 132344267 /nfs/dbraw/zinc/34/42/67/132344267.db2.gz IZJIQKXZUMEUQA-UHFFFAOYSA-N 0 0 431.561 4.722 40 10 IJCBRN CCOc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 ZINC000013547859 132349579 /nfs/dbraw/zinc/34/95/79/132349579.db2.gz CMKNGDOSONWZDB-ZHZULCJRSA-N 0 0 427.957 4.531 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 ZINC000022258590 524420729 /nfs/dbraw/zinc/42/07/29/524420729.db2.gz PLJUAGRUKVCJNA-UHFFFAOYSA-N 0 0 436.939 4.890 40 10 IJCBRN COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S ZINC000001181502 555671978 /nfs/dbraw/zinc/67/19/78/555671978.db2.gz OGUBFOGHNMHPGL-XMHGGMMESA-N 0 0 426.563 4.624 40 10 IJCBRN CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000408602385 555971206 /nfs/dbraw/zinc/97/12/06/555971206.db2.gz NCRILXLFUBZJDA-LDADJPATSA-N 0 0 446.981 4.983 40 10 IJCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000009259253 556267731 /nfs/dbraw/zinc/26/77/31/556267731.db2.gz HPQQUFWAGRFMRA-JAIQZWGSSA-N 0 0 439.462 4.883 40 10 IJCBRN COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2c2ccccc2)ccc1O ZINC000013915512 556661887 /nfs/dbraw/zinc/66/18/87/556661887.db2.gz CBMBXYIFJSKTNR-UNOMPAQXSA-N 0 0 449.304 4.998 40 10 IJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000083318709 556663756 /nfs/dbraw/zinc/66/37/56/556663756.db2.gz YFHJNZLTWWFIKU-QJOMJCCJSA-N 0 0 433.548 4.908 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccccc2F)cc1 ZINC000408760339 556687304 /nfs/dbraw/zinc/68/73/04/556687304.db2.gz WYTCHOQVTVMTQK-XQNSMLJCSA-N 0 0 444.462 4.846 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408760620 556687473 /nfs/dbraw/zinc/68/74/73/556687473.db2.gz BVQUTANYXLGDNA-KGENOOAVSA-N 0 0 449.304 4.998 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2F)cc1 ZINC000408761427 556687850 /nfs/dbraw/zinc/68/78/50/556687850.db2.gz KCDNIDYLRIWZCW-HYARGMPZSA-N 0 0 432.451 4.686 40 10 IJCBRN CCN(CC)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101099631 556726511 /nfs/dbraw/zinc/72/65/11/556726511.db2.gz FFNZMDGAQTWRCW-SDHOMARFSA-N 0 0 441.531 4.584 40 10 IJCBRN O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O)c1ccccc1 ZINC000004792033 556823448 /nfs/dbraw/zinc/82/34/48/556823448.db2.gz PZNXLZZWWBSQQK-UHFFFAOYSA-N 0 0 446.462 4.967 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(C)cc2)cc1 ZINC000408765650 556829693 /nfs/dbraw/zinc/82/96/93/556829693.db2.gz MYCHVNXIYRIWFX-PXLXIMEGSA-N 0 0 428.488 4.855 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408767698 556830206 /nfs/dbraw/zinc/83/02/06/556830206.db2.gz GGQVDSLEFFFATI-PDGQHHTCSA-N 0 0 431.410 4.587 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccccc2OC)cc1 ZINC000408841153 556867508 /nfs/dbraw/zinc/86/75/08/556867508.db2.gz HYKJRURSOQHECG-HAVVHWLPSA-N 0 0 428.488 4.937 40 10 IJCBRN COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1ccc(O)cc1 ZINC000408846049 556868940 /nfs/dbraw/zinc/86/89/40/556868940.db2.gz XHGLZBOAWKIERA-XSFVSMFZSA-N 0 0 449.304 4.998 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O ZINC000409015019 556920539 /nfs/dbraw/zinc/92/05/39/556920539.db2.gz QXNHCSIZIDUOQE-XNHPLOEXSA-N 0 0 426.538 4.699 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000409019192 556923787 /nfs/dbraw/zinc/92/37/87/556923787.db2.gz PXFVPNFFTJPJBO-BOPFTXTBSA-N 0 0 447.409 4.600 40 10 IJCBRN COc1ccc(N(C)CCC(=O)N2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)cc1 ZINC000072353235 556925939 /nfs/dbraw/zinc/92/59/39/556925939.db2.gz WDWSRZPHKISNHM-XMMPIXPASA-N 0 0 445.567 4.727 40 10 IJCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OC(C)C ZINC000409038964 556927907 /nfs/dbraw/zinc/92/79/07/556927907.db2.gz GBDLHLWPTNFNHH-WQLSENKSSA-N 0 0 440.368 4.984 40 10 IJCBRN CCCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000409036926 556928734 /nfs/dbraw/zinc/92/87/34/556928734.db2.gz RXSBEJFEYTUSDG-XYOKQWHBSA-N 0 0 440.368 4.986 40 10 IJCBRN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000019842393 556929860 /nfs/dbraw/zinc/92/98/60/556929860.db2.gz FLFCCOXYPXUDEB-UNOMPAQXSA-N 0 0 432.376 4.782 40 10 IJCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000409081670 556947649 /nfs/dbraw/zinc/94/76/49/556947649.db2.gz KQLMYVVPGZCDEL-UOIFGXKSSA-N 0 0 425.575 4.954 40 10 IJCBRN CCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)NC1=S ZINC000409085027 556948588 /nfs/dbraw/zinc/94/85/88/556948588.db2.gz RAOIJCKHRBRBAG-BOPFTXTBSA-N 0 0 449.345 4.635 40 10 IJCBRN CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O ZINC000409148296 556973628 /nfs/dbraw/zinc/97/36/28/556973628.db2.gz YAMTZFRBQAYTKA-JWGURIENSA-N 0 0 439.581 4.767 40 10 IJCBRN Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000409143460 556975466 /nfs/dbraw/zinc/97/54/66/556975466.db2.gz CCRBCEKEXCHGHW-HMAPJEAMSA-N 0 0 439.581 4.623 40 10 IJCBRN CCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)SC1=S ZINC000409162527 556981198 /nfs/dbraw/zinc/98/11/98/556981198.db2.gz WMICQWDXNMLLRV-QGZVFWFLSA-N 0 0 436.396 4.819 40 10 IJCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000409176806 556986278 /nfs/dbraw/zinc/98/62/78/556986278.db2.gz YJVNILVVXZYBLA-RCCKNPSSSA-N 0 0 435.549 4.524 40 10 IJCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)ccc1O ZINC000020227410 557000952 /nfs/dbraw/zinc/00/09/52/557000952.db2.gz GSRODGXDOBECJW-DFBITEFZSA-N 0 0 444.965 4.832 40 10 IJCBRN CCN1c2ccccc2/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O ZINC000409205250 557003315 /nfs/dbraw/zinc/00/33/15/557003315.db2.gz GRSFCZAPRMNNDF-XIEYBQDHSA-N 0 0 427.548 4.838 40 10 IJCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccccc1 ZINC000409237801 557019349 /nfs/dbraw/zinc/01/93/49/557019349.db2.gz JOXYWURFAHTEGO-MTJSOVHGSA-N 0 0 449.507 4.908 40 10 IJCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O ZINC000409231543 557023392 /nfs/dbraw/zinc/02/33/92/557023392.db2.gz JSVSONBLKARJOI-LFVJCYFKSA-N 0 0 429.520 4.976 40 10 IJCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O ZINC000409234470 557025580 /nfs/dbraw/zinc/02/55/80/557025580.db2.gz WYXZFVSZQPJRSJ-LDADJPATSA-N 0 0 449.370 4.929 40 10 IJCBRN CCc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000409329713 557064067 /nfs/dbraw/zinc/06/40/67/557064067.db2.gz HITHKFOFVQZARH-GRSHGNNSSA-N 0 0 426.607 4.698 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(C)=O ZINC000409338815 557073770 /nfs/dbraw/zinc/07/37/70/557073770.db2.gz BNYDERAJPZONMC-ZDLGFXPLSA-N 0 0 431.560 4.748 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)C ZINC000409349230 557077149 /nfs/dbraw/zinc/07/71/49/557077149.db2.gz UYBUBITYVNKKPI-OCKHKDLRSA-N 0 0 429.519 4.617 40 10 IJCBRN CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21 ZINC000208442594 557087099 /nfs/dbraw/zinc/08/70/99/557087099.db2.gz WEIIBWYLEFTVQY-BKUYFWCQSA-N 0 0 447.560 4.993 40 10 IJCBRN COc1ccc(N2CCOCC2)c(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000020529002 557093840 /nfs/dbraw/zinc/09/38/40/557093840.db2.gz SZXMRIRPOUVKQQ-UHFFFAOYSA-N 0 0 441.325 4.700 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)cc1OC ZINC000409387573 557099477 /nfs/dbraw/zinc/09/94/77/557099477.db2.gz ROBZGGUYKKNEEB-UNOMPAQXSA-N 0 0 439.533 4.693 40 10 IJCBRN Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409398382 557101286 /nfs/dbraw/zinc/10/12/86/557101286.db2.gz AEDFAALGHGUJGM-JCMHNJIXSA-N 0 0 425.463 4.599 40 10 IJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 ZINC000103917957 557140707 /nfs/dbraw/zinc/14/07/07/557140707.db2.gz KYCRLNAOPTXVNL-QNGOZBTKSA-N 0 0 426.904 4.857 40 10 IJCBRN CC(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000006077055 557145224 /nfs/dbraw/zinc/14/52/24/557145224.db2.gz GGZBFXYPTZUXKO-HWBMXIPRSA-N 0 0 438.593 4.657 40 10 IJCBRN C[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000218318277 557192727 /nfs/dbraw/zinc/19/27/27/557192727.db2.gz BWJAKTJSCDEZLW-IBGZPJMESA-N 0 0 427.548 4.914 40 10 IJCBRN O=C(COc1ccc(Br)cc1Cl)NCc1ccc(N2CCCCC2)cc1 ZINC000218945665 557221242 /nfs/dbraw/zinc/22/12/42/557221242.db2.gz JYYLQMRYNILIOV-UHFFFAOYSA-N 0 0 437.765 4.788 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2cccs2)cc1 ZINC000112293071 557239338 /nfs/dbraw/zinc/23/93/38/557239338.db2.gz HPINHGGZSRNBFG-JWGURIENSA-N 0 0 433.533 4.580 40 10 IJCBRN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1C ZINC000013566448 557344453 /nfs/dbraw/zinc/34/44/53/557344453.db2.gz PJCLJAIVLGKXBJ-UHFFFAOYSA-N 0 0 434.477 4.633 40 10 IJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C ZINC000222855114 557394826 /nfs/dbraw/zinc/39/48/26/557394826.db2.gz CCGKWRBNQHBACL-GOTSBHOMSA-N 0 0 448.592 4.657 40 10 IJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 ZINC000222854751 557394846 /nfs/dbraw/zinc/39/48/46/557394846.db2.gz ZRHQXHHOINDEPY-PKTZIBPZSA-N 0 0 448.592 4.657 40 10 IJCBRN N=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC=NN21 ZINC000033457811 557399347 /nfs/dbraw/zinc/39/93/47/557399347.db2.gz OOCFOPWIZGKVBK-RSRMSENYSA-N 0 0 449.923 4.623 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222925212 557403847 /nfs/dbraw/zinc/40/38/47/557403847.db2.gz AFQNFOYRFJBNIA-RPWUZVMVSA-N 0 0 448.592 4.846 40 10 IJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000222969913 557409757 /nfs/dbraw/zinc/40/97/57/557409757.db2.gz HGDSEZFRWZSUSR-ZEQRLZLVSA-N 0 0 448.592 4.990 40 10 IJCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCOC)c1C ZINC000223016856 557415840 /nfs/dbraw/zinc/41/58/40/557415840.db2.gz WTAUOUCBXLHMQE-UKILVPOCSA-N 0 0 448.636 4.979 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C(C(=O)OC)=C2C)cc1 ZINC000014414564 557445624 /nfs/dbraw/zinc/44/56/24/557445624.db2.gz RNKCMAHVJRRJFK-PDGQHHTCSA-N 0 0 442.855 4.524 40 10 IJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000014415141 557446672 /nfs/dbraw/zinc/44/66/72/557446672.db2.gz BWBAHVORDQARAP-RGEXLXHISA-N 0 0 440.883 4.554 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(O)cc1 ZINC000223347212 557461103 /nfs/dbraw/zinc/46/11/03/557461103.db2.gz FLHNKYHYZOGMFJ-RPWUZVMVSA-N 0 0 444.560 4.960 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O ZINC000223473393 557476088 /nfs/dbraw/zinc/47/60/88/557476088.db2.gz OYIMESJKQPVBOP-IYSPOMMRSA-N 0 0 428.554 4.696 40 10 IJCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2cccc(OC)c2)cc1 ZINC000017095415 557486150 /nfs/dbraw/zinc/48/61/50/557486150.db2.gz WTSWYSZNPSVTNU-MOHJPFBDSA-N 0 0 427.504 4.519 40 10 IJCBRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000224068994 557555019 /nfs/dbraw/zinc/55/50/19/557555019.db2.gz UCZYOVOFFAPOES-BWAHOGKJSA-N 0 0 443.547 4.666 40 10 IJCBRN CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000224563757 557624041 /nfs/dbraw/zinc/62/40/41/557624041.db2.gz BVAMEKXODUWNPU-UHFFFAOYSA-N 0 0 431.983 4.854 40 10 IJCBRN O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000033757285 557810668 /nfs/dbraw/zinc/81/06/68/557810668.db2.gz WCEMLQFVKCIJET-UHFFFAOYSA-N 0 0 444.450 4.618 40 10 IJCBRN CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1C ZINC000260742175 557852832 /nfs/dbraw/zinc/85/28/32/557852832.db2.gz SYSDLJAALNAXIO-KRWDZBQOSA-N 0 0 425.598 4.895 40 10 IJCBRN COc1cccc2ccc(/C=C3\SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)nc21 ZINC000054360840 568940488 /nfs/dbraw/zinc/94/04/88/568940488.db2.gz QPVGVFHTDZJWGF-UNOMPAQXSA-N 0 0 435.530 4.608 40 10 IJCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 ZINC000226778984 569182938 /nfs/dbraw/zinc/18/29/38/569182938.db2.gz OXTIJWWYIAXWHY-XQBPLPMBSA-N 0 0 439.353 4.748 40 10 IJCBRN CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1 ZINC000107929649 569260661 /nfs/dbraw/zinc/26/06/61/569260661.db2.gz WZLHXQRVNVFKFI-BOPFTXTBSA-N 0 0 432.954 4.593 40 10 IJCBRN COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000206296638 569261204 /nfs/dbraw/zinc/26/12/04/569261204.db2.gz KAMRAOXQNPUIIF-XNTDXEJSSA-N 0 0 434.336 4.642 40 10 IJCBRN CC[n+]1c(/C=C2\C=Cc3cc(C)ccc3N2CCCS(=O)(=O)[O-])ccc2cccc(C)c21 ZINC000006134620 132276207 /nfs/dbraw/zinc/27/62/07/132276207.db2.gz VUXBXCCNJXVQJY-UHFFFAOYSA-O 0 0 449.596 4.916 40 10 IJCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1c(Cl)cccc1Cl ZINC000009189267 132307777 /nfs/dbraw/zinc/30/77/77/132307777.db2.gz JUVOIVUEHMNEGU-PDGQHHTCSA-N 0 0 436.339 4.925 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)SC1=S ZINC000041108583 521511747 /nfs/dbraw/zinc/51/17/47/521511747.db2.gz IXNRIYWYSIZTPV-BOPFTXTBSA-N 0 0 433.938 4.789 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2cccc(F)c2)C(=O)N=C2SC(Cc3cccs3)=NN21 ZINC000041108421 526837656 /nfs/dbraw/zinc/83/76/56/526837656.db2.gz BBDUANHVWWVVKI-MQIWZSEOSA-N 0 0 435.509 4.540 40 10 IJCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NC(=O)Nc1ccc(C)c(C)c1 ZINC000408526699 555715942 /nfs/dbraw/zinc/71/59/42/555715942.db2.gz CDUMSUSFCGXLHX-WQRHYEAKSA-N 0 0 441.329 4.802 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000408530002 555719464 /nfs/dbraw/zinc/71/94/64/555719464.db2.gz JZTFPOMJAULQCB-QNGOZBTKSA-N 0 0 433.504 4.648 40 10 IJCBRN CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000408571805 555915430 /nfs/dbraw/zinc/91/54/30/555915430.db2.gz CPQDGIQWUDWYTP-MOSHPQCFSA-N 0 0 440.590 4.876 40 10 IJCBRN Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C1\SC(=S)N(C(C)C)C1=O ZINC000408573788 555923900 /nfs/dbraw/zinc/92/39/00/555923900.db2.gz KMNFPZSXJSUGCT-UNOMPAQXSA-N 0 0 440.590 4.931 40 10 IJCBRN Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000408577154 555927592 /nfs/dbraw/zinc/92/75/92/555927592.db2.gz RMDPCOSJGBYXMW-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN CCc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3O)C(C(=O)OC)=C2C)cc1 ZINC000408583660 555930532 /nfs/dbraw/zinc/93/05/32/555930532.db2.gz JGXNSBATBNAIID-PDGQHHTCSA-N 0 0 442.309 4.594 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OC)cc1OC ZINC000408587193 555939803 /nfs/dbraw/zinc/93/98/03/555939803.db2.gz RZFUBNVYCVBWRS-PDGQHHTCSA-N 0 0 427.884 4.625 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000035240684 556036972 /nfs/dbraw/zinc/03/69/72/556036972.db2.gz OEQBVOPBQBNJHT-YBEGLDIGSA-N 0 0 446.286 4.657 40 10 IJCBRN COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccccc1 ZINC000408738547 556200534 /nfs/dbraw/zinc/20/05/34/556200534.db2.gz LTSZVIRDFCOFBH-XDJHFCHBSA-N 0 0 426.428 4.853 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)cc1 ZINC000408738807 556200998 /nfs/dbraw/zinc/20/09/98/556200998.db2.gz VPHAUDQLRKBTRP-JOCHJYFZSA-N 0 0 435.549 4.744 40 10 IJCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccccc1 ZINC000008820511 556220789 /nfs/dbraw/zinc/22/07/89/556220789.db2.gz HNMCOSABTDGFHS-GXOHKFNASA-N 0 0 436.602 4.583 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c(OC)c1 ZINC000008821580 556223137 /nfs/dbraw/zinc/22/31/37/556223137.db2.gz KVQBSMDZELHGOT-SXGWCWSVSA-N 0 0 436.352 4.872 40 10 IJCBRN Cc1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C)c4)C3=O)SC2=S)c1 ZINC000008870031 556228593 /nfs/dbraw/zinc/22/85/93/556228593.db2.gz NHFSCANODWSLJR-FOCLMDBBSA-N 0 0 442.612 4.945 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408751983 556235354 /nfs/dbraw/zinc/23/53/54/556235354.db2.gz FEXSOFYYEXGXRR-PXLXIMEGSA-N 0 0 446.890 4.970 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2F)cc1 ZINC000408756963 556236825 /nfs/dbraw/zinc/23/68/25/556236825.db2.gz YPFXUBBDADVVCT-FYJGNVAPSA-N 0 0 430.435 4.788 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2cccc(C)c2)cc1 ZINC000408756397 556239533 /nfs/dbraw/zinc/23/95/33/556239533.db2.gz ZJPLORHDMYVPFY-HZHRSRAPSA-N 0 0 428.488 4.855 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O ZINC000009311717 556279971 /nfs/dbraw/zinc/27/99/71/556279971.db2.gz FDXKFKKFSMWIDR-BKUYFWCQSA-N 0 0 434.517 4.847 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2OC)cc1 ZINC000408849209 556870325 /nfs/dbraw/zinc/87/03/25/556870325.db2.gz ZALMCCCHKMQRCL-KGENOOAVSA-N 0 0 442.471 4.657 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000408943051 556897628 /nfs/dbraw/zinc/89/76/28/556897628.db2.gz RNAPUWPILYRDNF-PXLXIMEGSA-N 0 0 426.472 4.716 40 10 IJCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C(C(=O)OC)=C1C ZINC000409012844 556918890 /nfs/dbraw/zinc/91/88/90/556918890.db2.gz LLWMHWGTXDWNCJ-ATVHPVEESA-N 0 0 432.442 4.805 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000409017628 556919572 /nfs/dbraw/zinc/91/95/72/556919572.db2.gz GFOBIKXKLJVMEX-YVLHZVERSA-N 0 0 427.884 4.543 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000409022204 556922800 /nfs/dbraw/zinc/92/28/00/556922800.db2.gz JCCGPBVNBSDXLS-WQRHYEAKSA-N 0 0 447.409 4.600 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000409060067 556936942 /nfs/dbraw/zinc/93/69/42/556936942.db2.gz SCWMDXHGRWDCPR-PTNGSMBKSA-N 0 0 448.302 4.888 40 10 IJCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O ZINC000409130275 556967480 /nfs/dbraw/zinc/96/74/80/556967480.db2.gz MJZZXQOPEWDWLS-LICLKQGHSA-N 0 0 435.343 4.539 40 10 IJCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)SC1=S ZINC000409139335 556971354 /nfs/dbraw/zinc/97/13/54/556971354.db2.gz MZSNONYNJHNMKZ-STZFKDTASA-N 0 0 438.574 4.950 40 10 IJCBRN Cc1ccc(COc2ccccc2/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1 ZINC000409148420 556973843 /nfs/dbraw/zinc/97/38/43/556973843.db2.gz YOTQPYVXDJZQCO-JCMHNJIXSA-N 0 0 428.513 4.974 40 10 IJCBRN Cc1cccc(COc2ccc(C[C@@H]3SC(=S)N(Cc4cccnc4)C3=O)cc2)c1 ZINC000409142885 556975265 /nfs/dbraw/zinc/97/52/65/556975265.db2.gz DSSZTRGIUMAYML-QFIPXVFZSA-N 0 0 434.586 4.941 40 10 IJCBRN COc1ccc(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1Br ZINC000409142893 556975497 /nfs/dbraw/zinc/97/54/97/556975497.db2.gz DVLWUOJVFAZVSS-INIZCTEOSA-N 0 0 428.417 4.809 40 10 IJCBRN COc1ccc(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1Br ZINC000409142894 556975505 /nfs/dbraw/zinc/97/55/05/556975505.db2.gz DVLWUOJVFAZVSS-MRXNPFEDSA-N 0 0 428.417 4.809 40 10 IJCBRN COc1c(Br)cc(Cl)cc1C[C@@H]1SC(=S)N(Cc2ccco2)C1=O ZINC000409143627 556975650 /nfs/dbraw/zinc/97/56/50/556975650.db2.gz GNKOUWBTTIZPEG-ZDUSSCGKSA-N 0 0 446.775 4.676 40 10 IJCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)c(Cl)c1 ZINC000409144109 556975713 /nfs/dbraw/zinc/97/57/13/556975713.db2.gz ICSIUFQTFUNOMP-OVCLIPMQSA-N 0 0 439.345 4.554 40 10 IJCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000409236383 557018193 /nfs/dbraw/zinc/01/81/93/557018193.db2.gz FNGMVBYZWLFBQH-RQZCQDPDSA-N 0 0 436.737 4.813 40 10 IJCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O ZINC000409231341 557022910 /nfs/dbraw/zinc/02/29/10/557022910.db2.gz CBFBYOZBTIZXTR-WOJGMQOQSA-N 0 0 449.370 4.929 40 10 IJCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409328651 557062892 /nfs/dbraw/zinc/06/28/92/557062892.db2.gz ZKJMIIZPNMUCAR-XDHOZWIPSA-N 0 0 427.547 4.651 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c(Br)cc1O ZINC000409330024 557064500 /nfs/dbraw/zinc/06/45/00/557064500.db2.gz JSAFOTXSCJOVNA-LZYBPNLTSA-N 0 0 436.352 4.878 40 10 IJCBRN Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409344105 557071472 /nfs/dbraw/zinc/07/14/72/557071472.db2.gz FJVSEGAMHRVZKF-LICLKQGHSA-N 0 0 427.938 4.676 40 10 IJCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409350614 557078451 /nfs/dbraw/zinc/07/84/51/557078451.db2.gz YDUODMXOJAYIKH-GZTJUZNOSA-N 0 0 433.938 4.688 40 10 IJCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S ZINC000409371557 557089761 /nfs/dbraw/zinc/08/97/61/557089761.db2.gz XDTAEXKLUFEHEF-VGOFMYFVSA-N 0 0 440.333 4.637 40 10 IJCBRN CC(NCCc1c[nH]c2ccc(Cl)cc12)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000103916842 557140661 /nfs/dbraw/zinc/14/06/61/557140661.db2.gz NSJRXQYPJBICAZ-BKUYFWCQSA-N 0 0 437.887 4.558 40 10 IJCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccc(OC)cc1 ZINC000112291821 557238856 /nfs/dbraw/zinc/23/88/56/557238856.db2.gz DFBNYEAWEWXELA-JWGURIENSA-N 0 0 434.565 4.914 40 10 IJCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1 ZINC000013025201 557274318 /nfs/dbraw/zinc/27/43/18/557274318.db2.gz STKCDDQFROBBOS-XMMPIXPASA-N 0 0 449.526 4.932 40 10 IJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(C)C)c(Br)c3)N21 ZINC000222647794 557368161 /nfs/dbraw/zinc/36/81/61/557368161.db2.gz KVPRDMGRYLOAON-NIKGAXFTSA-N 0 0 431.403 4.890 40 10 IJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(C)C)c(Br)c3)N21 ZINC000222647674 557368196 /nfs/dbraw/zinc/36/81/96/557368196.db2.gz KVPRDMGRYLOAON-MDASCCDHSA-N 0 0 431.403 4.890 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000222832837 557391591 /nfs/dbraw/zinc/39/15/91/557391591.db2.gz LRUPHONOIYTRJY-ZEQRLZLVSA-N 0 0 433.625 4.936 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000222900411 557400756 /nfs/dbraw/zinc/40/07/56/557400756.db2.gz POMZCJLXPHBJKV-XZOQPEGZSA-N 0 0 448.592 4.658 40 10 IJCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 ZINC000223007731 557414747 /nfs/dbraw/zinc/41/47/47/557414747.db2.gz VGUMWXJRQJVNBZ-ZEQRLZLVSA-N 0 0 434.609 4.670 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223013299 557415268 /nfs/dbraw/zinc/41/52/68/557415268.db2.gz NQTMSXXSBDDHOI-BJKOFHAPSA-N 0 0 434.609 4.725 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000223307524 557457514 /nfs/dbraw/zinc/45/75/14/557457514.db2.gz FUUQORFUJYLNAW-TUSQITKMSA-N 0 0 446.620 4.949 40 10 IJCBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C ZINC000223622898 557493387 /nfs/dbraw/zinc/49/33/87/557493387.db2.gz NUVFVJOKAYLJQM-ZCYQVOJMSA-N 0 0 448.636 4.715 40 10 IJCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ncc(Br)cc1Cl ZINC000223949313 557533060 /nfs/dbraw/zinc/53/30/60/557533060.db2.gz HCAQSAWGLGHAGZ-UHFFFAOYSA-N 0 0 425.783 4.584 40 10 IJCBRN COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(N3CCC(C)CC3)cc1)CCCC2 ZINC000225601908 557749980 /nfs/dbraw/zinc/74/99/80/557749980.db2.gz WAKALLKQRAMJPR-IBGZPJMESA-N 0 0 442.625 4.850 40 10 IJCBRN CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225691594 557764432 /nfs/dbraw/zinc/76/44/32/557764432.db2.gz YHJIMDCZCPEXBD-QGZVFWFLSA-N 0 0 425.598 4.895 40 10 IJCBRN CCOC(=O)c1cc(NC(=S)NCCCN2CCCc3ccccc32)ccc1Cl ZINC000225746571 557772147 /nfs/dbraw/zinc/77/21/47/557772147.db2.gz UNVJNERSOXPDOY-UHFFFAOYSA-N 0 0 431.989 4.646 40 10 IJCBRN COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O ZINC000033313267 557807170 /nfs/dbraw/zinc/80/71/70/557807170.db2.gz OQPUAYKIWXAMPG-MHWRWJLKSA-N 0 0 436.352 4.872 40 10 IJCBRN COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)c1C ZINC000102910220 568890384 /nfs/dbraw/zinc/89/03/84/568890384.db2.gz SDQLWZCOFJMUJT-OCEACIFDSA-N 0 0 435.480 4.912 40 10 IJCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 ZINC000250253629 569184611 /nfs/dbraw/zinc/18/46/11/569184611.db2.gz OXTIJWWYIAXWHY-DXIQSLLYSA-N 0 0 439.353 4.748 40 10 IJCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cc(Br)ccc3OCC#N)S2)cc1 ZINC000015223739 569259136 /nfs/dbraw/zinc/25/91/36/569259136.db2.gz NSYJOIVAJRKSHQ-PDGQHHTCSA-N 0 0 442.338 4.996 40 10 IJCBRN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S)c1ccccc1 ZINC000021270620 569259141 /nfs/dbraw/zinc/25/91/41/569259141.db2.gz GUBPVGPMZGIYAC-RCCKNPSSSA-N 0 0 446.553 4.812 40 10 IJCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000015227505 569259202 /nfs/dbraw/zinc/25/92/02/569259202.db2.gz QYXYYWSOPQBZRC-MOSHPQCFSA-N 0 0 435.526 4.947 40 10 IJCBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000033573796 569259363 /nfs/dbraw/zinc/25/93/63/569259363.db2.gz NSEFUSLCHYXILI-JCMHNJIXSA-N 0 0 447.531 4.889 40 10 IJCBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C ZINC000197577218 569261092 /nfs/dbraw/zinc/26/10/92/569261092.db2.gz YNZQNUXAKGDHLT-NHDPSOOVSA-N 0 0 435.936 4.526 40 10 IJCBRN Cc1ccccc1COc1cccc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1 ZINC000041076784 569526543 /nfs/dbraw/zinc/52/65/43/569526543.db2.gz YGKQUTIVGRHFSC-QGUUBAPPSA-N 0 0 442.500 4.834 40 10 IJCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000041078342 521958465 /nfs/dbraw/zinc/95/84/65/521958465.db2.gz JLAMBBFYPZNNKJ-LQXVEBIKSA-N 0 0 437.883 4.686 40 10 IJCBRN Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)c1 ZINC000041108198 525912692 /nfs/dbraw/zinc/91/26/92/525912692.db2.gz IASRCAMWJCXPSB-MFTVFGMVSA-N 0 0 443.507 4.901 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000033389960 526087508 /nfs/dbraw/zinc/08/75/08/526087508.db2.gz UJFQDBUSBDSILN-HHGYXRTLSA-N 0 0 443.507 4.901 40 10 IJCBRN Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1 ZINC000408573792 555923918 /nfs/dbraw/zinc/92/39/18/555923918.db2.gz KNQAHZKDWVUBHI-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1C ZINC000408574312 555925274 /nfs/dbraw/zinc/92/52/74/555925274.db2.gz LRHBIMYQFNFXGC-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 ZINC000408708322 556114823 /nfs/dbraw/zinc/11/48/23/556114823.db2.gz PENQIVXIIFQZMI-HXUWFJFHSA-N 0 0 431.536 4.657 40 10 IJCBRN CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000008820123 556220083 /nfs/dbraw/zinc/22/00/83/556220083.db2.gz DGDNQEVJAQNTBP-SDXDJHTJSA-N 0 0 449.594 4.578 40 10 IJCBRN CC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=N)S1 ZINC000008846681 556227192 /nfs/dbraw/zinc/22/71/92/556227192.db2.gz SPQMWBCIUBQYMJ-YENWFTGLSA-N 0 0 433.924 4.982 40 10 IJCBRN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 ZINC000039427851 556435198 /nfs/dbraw/zinc/43/51/98/556435198.db2.gz HAAITZIZHLFTEU-OAQYLSRUSA-N 0 0 436.947 4.705 40 10 IJCBRN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 ZINC000039427853 556435266 /nfs/dbraw/zinc/43/52/66/556435266.db2.gz HAAITZIZHLFTEU-NRFANRHFSA-N 0 0 436.947 4.705 40 10 IJCBRN CCOc1cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc(Br)c1OC ZINC000013371371 556503436 /nfs/dbraw/zinc/50/34/36/556503436.db2.gz OEPMTCXOUQNPTB-DHDCSXOGSA-N 0 0 431.282 4.846 40 10 IJCBRN CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000016687839 556625680 /nfs/dbraw/zinc/62/56/80/556625680.db2.gz JPVRGFJNCPTXJH-JLPGSUDCSA-N 0 0 436.467 4.631 40 10 IJCBRN C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466383 556721585 /nfs/dbraw/zinc/72/15/85/556721585.db2.gz RWMRSIDPHSRUTC-ROUUACIJSA-N 0 0 427.570 4.942 40 10 IJCBRN COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccccc2)c1O ZINC000019325995 556736425 /nfs/dbraw/zinc/73/64/25/556736425.db2.gz MZRXGPMTSCONOS-UHFFFAOYSA-N 0 0 434.536 4.522 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408762811 556770427 /nfs/dbraw/zinc/77/04/27/556770427.db2.gz CALVLQWWANSMJW-PXLXIMEGSA-N 0 0 446.890 4.970 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408766679 556830028 /nfs/dbraw/zinc/83/00/28/556830028.db2.gz DHNZYCFBPCDJCG-UYRXBGFRSA-N 0 0 442.309 4.725 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000408766889 556830068 /nfs/dbraw/zinc/83/00/68/556830068.db2.gz UGPPPHJYQOKALY-JJIBRWJFSA-N 0 0 428.488 4.937 40 10 IJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1 ZINC000408769240 556847033 /nfs/dbraw/zinc/84/70/33/556847033.db2.gz MCYUFWKUWVXFQK-UHFFFAOYSA-N 0 0 438.219 4.915 40 10 IJCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1O ZINC000408902910 556885513 /nfs/dbraw/zinc/88/55/13/556885513.db2.gz RYLUBZRWJJSOTF-CXUHLZMHSA-N 0 0 436.352 4.959 40 10 IJCBRN COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408971763 556902826 /nfs/dbraw/zinc/90/28/26/556902826.db2.gz QBQGCLUZPBIUQH-UVTDQMKNSA-N 0 0 425.204 4.806 40 10 IJCBRN O=C1NC(=S)S/C1=C\c1ccc(Sc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000408988510 556911861 /nfs/dbraw/zinc/91/18/61/556911861.db2.gz DQJHZIWCUOGXST-YBEGLDIGSA-N 0 0 425.516 4.783 40 10 IJCBRN O=C1NC(=S)S/C1=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000408988600 556911909 /nfs/dbraw/zinc/91/19/09/556911909.db2.gz DYOCUNPXQYNTCX-ZSOIEALJSA-N 0 0 431.545 4.845 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O ZINC000409018520 556919793 /nfs/dbraw/zinc/91/97/93/556919793.db2.gz XCXRHGHNICWILN-XKYMITNMSA-N 0 0 432.929 4.735 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O ZINC000409015017 556920487 /nfs/dbraw/zinc/92/04/87/556920487.db2.gz QXNHCSIZIDUOQE-RONKMWSCSA-N 0 0 426.538 4.699 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000409023597 556923591 /nfs/dbraw/zinc/92/35/91/556923591.db2.gz IFOSBTZTYDIOEY-BNCCVWRVSA-N 0 0 432.259 4.599 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 ZINC000409041576 556929263 /nfs/dbraw/zinc/92/92/63/556929263.db2.gz KAVSIGATSCZRFJ-XQNSMLJCSA-N 0 0 425.488 4.819 40 10 IJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1Br ZINC000409048363 556931750 /nfs/dbraw/zinc/93/17/50/556931750.db2.gz ODMOFKTXERIVLB-RMKNXTFCSA-N 0 0 431.158 4.951 40 10 IJCBRN CCc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(C)=C2C(=O)OC)cc1 ZINC000409053420 556931831 /nfs/dbraw/zinc/93/18/31/556931831.db2.gz JZQZNICBCIWHSP-UYRXBGFRSA-N 0 0 426.310 4.889 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409075745 556943835 /nfs/dbraw/zinc/94/38/35/556943835.db2.gz XMKAKTPKFPESTG-LPYMAVHISA-N 0 0 434.927 4.911 40 10 IJCBRN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC)cc3)c3ccccc23)SC1=S ZINC000409130159 556967284 /nfs/dbraw/zinc/96/72/84/556967284.db2.gz ILSHJPMCQWPMQX-STZFKDTASA-N 0 0 438.574 4.950 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409141682 556972569 /nfs/dbraw/zinc/97/25/69/556972569.db2.gz INDDRZQZEFKCGI-FYJGNVAPSA-N 0 0 437.565 4.810 40 10 IJCBRN O=C1[C@H](Cc2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1Cc1ccco1 ZINC000409142433 556972807 /nfs/dbraw/zinc/97/28/07/556972807.db2.gz DCIGJNDZWNGYPB-FQEVSTJZSA-N 0 0 427.522 4.969 40 10 IJCBRN O=C1[C@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1Cc1cccnc1 ZINC000409149497 556974351 /nfs/dbraw/zinc/97/43/51/556974351.db2.gz IDDPEVIKZLXYGK-NRFANRHFSA-N 0 0 438.549 4.771 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409171760 556983768 /nfs/dbraw/zinc/98/37/68/556983768.db2.gz GPYWYKLZHITRJF-VXLYETTFSA-N 0 0 435.867 4.574 40 10 IJCBRN CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409214882 557009487 /nfs/dbraw/zinc/00/94/87/557009487.db2.gz YHROTFKRRPRACC-UNOMPAQXSA-N 0 0 445.972 4.652 40 10 IJCBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000409228517 557015368 /nfs/dbraw/zinc/01/53/68/557015368.db2.gz BBSSAISTHGEMTI-OEAKJJBVSA-N 0 0 433.483 4.725 40 10 IJCBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409222039 557017125 /nfs/dbraw/zinc/01/71/25/557017125.db2.gz BIFXNTDAJZDDAD-UNOMPAQXSA-N 0 0 434.477 4.634 40 10 IJCBRN CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409249589 557030140 /nfs/dbraw/zinc/03/01/40/557030140.db2.gz UUBRMJKJTTUZBJ-DPRLKLTMSA-N 0 0 441.940 4.637 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(OC)c1OC ZINC000409327951 557062339 /nfs/dbraw/zinc/06/23/39/557062339.db2.gz NZPMAXNURRVHMU-LICLKQGHSA-N 0 0 433.576 4.840 40 10 IJCBRN CCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409341791 557069387 /nfs/dbraw/zinc/06/93/87/557069387.db2.gz BTZQMYNWSAFWBD-WQRHYEAKSA-N 0 0 441.965 4.861 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000101654065 557125507 /nfs/dbraw/zinc/12/55/07/557125507.db2.gz ACHYPZGUAGKUGJ-HYARGMPZSA-N 0 0 443.459 4.989 40 10 IJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccccc12 ZINC000103918195 557141111 /nfs/dbraw/zinc/14/11/11/557141111.db2.gz PKTBBUNSMFHZDC-KQWNVCNZSA-N 0 0 431.496 4.685 40 10 IJCBRN C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218051215 557176125 /nfs/dbraw/zinc/17/61/25/557176125.db2.gz WUZFWTQXZKGOQT-GOSISDBHSA-N 0 0 427.570 4.942 40 10 IJCBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(OC)c1OC ZINC000218187536 557181049 /nfs/dbraw/zinc/18/10/49/557181049.db2.gz SYNRUQDQOITCIN-CWIMXHLESA-N 0 0 438.568 4.839 40 10 IJCBRN C[C@H]1C[C@H](C)CN(c2nc3nc4c(c(-c5ccccc5)c3c(=O)[nH]2)C(=O)c2ccccc2-4)C1 ZINC000010339146 557217903 /nfs/dbraw/zinc/21/79/03/557217903.db2.gz FOMBPVXTFRBSTB-HOTGVXAUSA-N 0 0 436.515 4.679 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2ccccc2)cc1 ZINC000112289901 557238539 /nfs/dbraw/zinc/23/85/39/557238539.db2.gz XOPBLBBEGIKHIM-MOHJPFBDSA-N 0 0 427.504 4.519 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000033390926 557319248 /nfs/dbraw/zinc/31/92/48/557319248.db2.gz PFLQAVZICCKRRM-STZFKDTASA-N 0 0 443.590 4.991 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000033396724 557326446 /nfs/dbraw/zinc/32/64/46/557326446.db2.gz IKRIPIFIWHUVKA-JLFKZYKSSA-N 0 0 443.532 4.971 40 10 IJCBRN COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000013639440 557384560 /nfs/dbraw/zinc/38/45/60/557384560.db2.gz MNBALNTTYRYHIB-LQWHRVPQSA-N 0 0 427.342 4.652 40 10 IJCBRN COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C ZINC000033530050 557408247 /nfs/dbraw/zinc/40/82/47/557408247.db2.gz QNRQUGGVPRDDNV-IFSHFEHQSA-N 0 0 435.553 4.768 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000223009223 557415057 /nfs/dbraw/zinc/41/50/57/557415057.db2.gz LREXXCJUHPAWMS-YADHBBJMSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C ZINC000223008730 557415074 /nfs/dbraw/zinc/41/50/74/557415074.db2.gz LATRDZJRXKYGTR-FCHUYYIVSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223013179 557415390 /nfs/dbraw/zinc/41/53/90/557415390.db2.gz NQTMSXXSBDDHOI-ZEQRLZLVSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000223051351 557421559 /nfs/dbraw/zinc/42/15/59/557421559.db2.gz OFVWMDZRXMZGSJ-DNQXCXABSA-N 0 0 434.609 4.807 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cc(C)ccn1 ZINC000223353172 557461401 /nfs/dbraw/zinc/46/14/01/557461401.db2.gz WDRWRRDLRZBPPQ-BJKOFHAPSA-N 0 0 443.576 4.958 40 10 IJCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223366685 557463313 /nfs/dbraw/zinc/46/33/13/557463313.db2.gz XWCWIZUBEUHUCU-ZEQRLZLVSA-N 0 0 444.560 4.955 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OCC)c1 ZINC000016689331 557475457 /nfs/dbraw/zinc/47/54/57/557475457.db2.gz FGADVPIDOBOLAP-WQRHYEAKSA-N 0 0 430.507 4.798 40 10 IJCBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(Cl)c1Cl ZINC000260572779 557492856 /nfs/dbraw/zinc/49/28/56/557492856.db2.gz VTRWWZNKONRMNP-AWEZNQCLSA-N 0 0 443.396 4.717 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2ccccc2OC)cc1 ZINC000019643402 557504519 /nfs/dbraw/zinc/50/45/19/557504519.db2.gz BWXXECDSNYXJAB-ULJHMMPZSA-N 0 0 445.494 4.658 40 10 IJCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NC2CCCCCC2)cc1 ZINC000019647371 557505411 /nfs/dbraw/zinc/50/54/11/557505411.db2.gz DFLYQMIVCJALMS-QJOMJCCJSA-N 0 0 448.523 4.941 40 10 IJCBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccccc1 ZINC000224366628 557598531 /nfs/dbraw/zinc/59/85/31/557598531.db2.gz NTKGWMOACZWKBV-UHFFFAOYSA-N 0 0 446.547 4.635 40 10 IJCBRN CCN1C(=O)C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000059182314 557817715 /nfs/dbraw/zinc/81/77/15/557817715.db2.gz KPALQKFQGCZMPT-HMMYKYKNSA-N 0 0 433.533 4.597 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000059435739 557820592 /nfs/dbraw/zinc/82/05/92/557820592.db2.gz HCVZTWCOQGSESG-ZROIWOOFSA-N 0 0 434.275 4.585 40 10 IJCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)ccc1O ZINC000059435738 557820656 /nfs/dbraw/zinc/82/06/56/557820656.db2.gz FBTMAZJHFJQFQG-DHDCSXOGSA-N 0 0 448.302 4.975 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000059435784 557820939 /nfs/dbraw/zinc/82/09/39/557820939.db2.gz XYZPFWUTGRXWLB-ZDLGFXPLSA-N 0 0 432.303 4.875 40 10 IJCBRN Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N(c2ccccc2C)C1=O ZINC000059484142 557825062 /nfs/dbraw/zinc/82/50/62/557825062.db2.gz BTGWZDOEELASDG-UHFFFAOYSA-N 0 0 440.455 4.616 40 10 IJCBRN Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1N1CCCC1=O ZINC000260742612 557852779 /nfs/dbraw/zinc/85/27/79/557852779.db2.gz XQDBGHMDHRNVDC-SFHVURJKSA-N 0 0 436.625 4.845 40 10 IJCBRN COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(N3CCC[C@H](C)C3)cc1)CCCC2 ZINC000260762197 557853687 /nfs/dbraw/zinc/85/36/87/557853687.db2.gz GXDPUIPWOBNPON-RBUKOAKNSA-N 0 0 442.625 4.850 40 10 IJCBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2cc(C)cc(C)c2)SC1=S ZINC000256055859 568663559 /nfs/dbraw/zinc/66/35/59/568663559.db2.gz WKSFCLOOSYBLSL-QIYXJHPLSA-N 0 0 440.590 4.591 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC(C)C ZINC000058607911 569249584 /nfs/dbraw/zinc/24/95/84/569249584.db2.gz JDHLLEJVERYNLK-MOSHPQCFSA-N 0 0 428.579 4.954 40 10 IJCBRN CC[C@H](C)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 ZINC000033634690 569259530 /nfs/dbraw/zinc/25/95/30/569259530.db2.gz IDNZEJXWJIUWNY-WSLHGYQHSA-N 0 0 429.520 4.733 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000038204886 569260389 /nfs/dbraw/zinc/26/03/89/569260389.db2.gz RAPXSQLDMBYUDZ-UYRXBGFRSA-N 0 0 444.443 4.634 40 10 IJCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Cl)c1Cl ZINC000012032418 569303484 /nfs/dbraw/zinc/30/34/84/569303484.db2.gz PCDWHZGNGPUGHK-KPKJPENVSA-N 0 0 429.375 4.895 40 10 IJCBRN CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(OC)cc3)c2)SC1=S ZINC000002878504 569423963 /nfs/dbraw/zinc/42/39/63/569423963.db2.gz CTMIJTRXRUZBQT-HKWRFOASSA-N 0 0 429.563 4.764 40 10 IJCBRN N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3ccncc3)=NN21 ZINC000041074358 569526320 /nfs/dbraw/zinc/52/63/20/569526320.db2.gz NVJYXYKWOWPBGD-FWPSJRISSA-N 0 0 433.880 4.662 40 10 IJCBRN CC(C)c1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 ZINC000041076279 569526417 /nfs/dbraw/zinc/52/64/17/569526417.db2.gz XBDIODVQDHCZPX-YBPMKGECSA-N 0 0 431.443 4.782 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000041076763 569526563 /nfs/dbraw/zinc/52/65/63/569526563.db2.gz OYRUPJUUPCTKKE-JLFKZYKSSA-N 0 0 443.532 4.971 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N2O1 ZINC000041082685 520852500 /nfs/dbraw/zinc/85/25/00/520852500.db2.gz LMEOPPILPSLNSM-ONWPUYBOSA-N 0 0 437.883 4.638 40 10 IJCBRN Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000408572362 555915955 /nfs/dbraw/zinc/91/59/55/555915955.db2.gz GLFMVSIZQRGHBS-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)SC1=S ZINC000408578563 555919008 /nfs/dbraw/zinc/91/90/08/555919008.db2.gz YUOSDYBOJKZVJW-WQRHYEAKSA-N 0 0 446.981 4.967 40 10 IJCBRN Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1 ZINC000408576672 555926959 /nfs/dbraw/zinc/92/69/59/555926959.db2.gz QIMBUIRJLKCEIO-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(-n2c(C)ccc2C)c1 ZINC000408708571 556115155 /nfs/dbraw/zinc/11/51/55/556115155.db2.gz QNUZICKKRRASOO-FQEVSTJZSA-N 0 0 431.536 4.711 40 10 IJCBRN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000008765942 556212339 /nfs/dbraw/zinc/21/23/39/556212339.db2.gz QUMRRQCCLPJRLD-VXLYETTFSA-N 0 0 444.597 4.502 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000008819095 556218728 /nfs/dbraw/zinc/21/87/28/556218728.db2.gz SIZQHKMIZLHSLC-BOPFTXTBSA-N 0 0 432.954 4.579 40 10 IJCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000008820257 556220090 /nfs/dbraw/zinc/22/00/90/556220090.db2.gz BMZFOGRLEKCIJN-NTEUORMPSA-N 0 0 427.334 4.816 40 10 IJCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Cl)c1Cl ZINC000008820255 556220111 /nfs/dbraw/zinc/22/01/11/556220111.db2.gz ASCJEABKTGDDEB-UKTHLTGXSA-N 0 0 427.334 4.816 40 10 IJCBRN Cn1cc(/C=C2/SC(NC(=O)c3ccc(Cl)cc3Cl)=NC2=O)c2ccccc21 ZINC000008821940 556224180 /nfs/dbraw/zinc/22/41/80/556224180.db2.gz UIMZYKSQKCJVOH-CAOOACKPSA-N 0 0 430.316 4.885 40 10 IJCBRN CCCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(C)=C2C(=O)OC)cc1OCC ZINC000015230996 556512926 /nfs/dbraw/zinc/51/29/26/556512926.db2.gz RHUGVYQIFVNDOK-HKWRFOASSA-N 0 0 427.541 4.879 40 10 IJCBRN O=C1S/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000013546730 556513901 /nfs/dbraw/zinc/51/39/01/556513901.db2.gz GFQPHUXZXBOLCE-XDHOZWIPSA-N 0 0 427.457 4.571 40 10 IJCBRN O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCOCC3)nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000016492303 556612563 /nfs/dbraw/zinc/61/25/63/556612563.db2.gz CTMLSNRBEUPWNP-QURGRASLSA-N 0 0 440.441 4.879 40 10 IJCBRN O=[N+]([O-])c1cc(Cl)c(N=Nc2ccc(N(CCO)CCO)cc2Cl)c(Cl)c1 ZINC000299888400 556708390 /nfs/dbraw/zinc/70/83/90/556708390.db2.gz HXXLWTPFYWMBSC-UHFFFAOYSA-N 0 0 433.679 4.761 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)c(Cl)c1 ZINC000019215407 556711968 /nfs/dbraw/zinc/71/19/68/556711968.db2.gz AXPSCWJSCDUDSV-UHFFFAOYSA-N 0 0 448.954 4.535 40 10 IJCBRN CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000000929904 556755828 /nfs/dbraw/zinc/75/58/28/556755828.db2.gz GRTCOMUJWWZEGJ-OAQYLSRUSA-N 0 0 436.581 4.526 40 10 IJCBRN CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 ZINC000001346234 556779691 /nfs/dbraw/zinc/77/96/91/556779691.db2.gz PTCZUCWNOGSOML-UHFFFAOYSA-N 0 0 434.477 4.715 40 10 IJCBRN CCOC(=O)c1c(Cl)c(C=C2SC(=S)NC2=O)oc1Nc1cccc(Cl)c1 ZINC000408812094 556862652 /nfs/dbraw/zinc/86/26/52/556862652.db2.gz BCOWWOGZQDVPBB-YRNVUSSQSA-N 0 0 443.333 4.996 40 10 IJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408840512 556867192 /nfs/dbraw/zinc/86/71/92/556867192.db2.gz CECAQFQJGZSCED-RCCKNPSSSA-N 0 0 446.890 4.970 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1 ZINC000408946629 556897981 /nfs/dbraw/zinc/89/79/81/556897981.db2.gz YYUAFHIRGYJSAB-HYARGMPZSA-N 0 0 444.462 4.855 40 10 IJCBRN CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br ZINC000408970999 556904481 /nfs/dbraw/zinc/90/44/81/556904481.db2.gz CIPXUKDJRHBWJU-UVTDQMKNSA-N 0 0 438.247 4.864 40 10 IJCBRN O=C1/C(=C\c2cc3c(cc2Br)OCO3)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971255 556904768 /nfs/dbraw/zinc/90/47/68/556904768.db2.gz HXDKGQCKNRAZST-SDQBBNPISA-N 0 0 439.187 4.526 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(C)=C2C(=O)OC)cc1 ZINC000409003279 556916998 /nfs/dbraw/zinc/91/69/98/556916998.db2.gz ZDIJLDUGMNWQBX-UYRXBGFRSA-N 0 0 442.309 4.725 40 10 IJCBRN CCCN1C(=O)/C(=C\c2cccn2-c2ccccc2F)C(=O)N(c2ccccc2)C1=S ZINC000409023184 556923253 /nfs/dbraw/zinc/92/32/53/556923253.db2.gz XMNIRLUZNMILHC-KNTRCKAVSA-N 0 0 433.508 4.570 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409057836 556934991 /nfs/dbraw/zinc/93/49/91/556934991.db2.gz LKNUUXXTIZCNNV-UCQKPKSFSA-N 0 0 430.504 4.868 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O ZINC000409065664 556941579 /nfs/dbraw/zinc/94/15/79/556941579.db2.gz KCWUXABAIIVOAZ-DDLUMYACSA-N 0 0 426.538 4.815 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O ZINC000409069196 556942912 /nfs/dbraw/zinc/94/29/12/556942912.db2.gz WPCFVWDSYRGXOH-HDZGYNCQSA-N 0 0 426.538 4.617 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O ZINC000409069197 556942916 /nfs/dbraw/zinc/94/29/16/556942916.db2.gz WPCFVWDSYRGXOH-WAKXPGHKSA-N 0 0 426.538 4.617 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)C1=O ZINC000409071251 556945282 /nfs/dbraw/zinc/94/52/82/556945282.db2.gz GFALWKRGAVRSDU-WMRWHDLOSA-N 0 0 434.517 4.845 40 10 IJCBRN COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 ZINC000409139585 556971418 /nfs/dbraw/zinc/97/14/18/556971418.db2.gz OGOOGFDTSFAFEN-STZFKDTASA-N 0 0 438.574 4.950 40 10 IJCBRN O=C1[C@@H](Cc2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1Cc1ccco1 ZINC000409142435 556972913 /nfs/dbraw/zinc/97/29/13/556972913.db2.gz DCIGJNDZWNGYPB-HXUWFJFHSA-N 0 0 427.522 4.969 40 10 IJCBRN CCOc1cc(OCC)c(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1Br ZINC000409162622 556981212 /nfs/dbraw/zinc/98/12/12/556981212.db2.gz XTTCAHSYRBCLMG-MRXNPFEDSA-N 0 0 446.432 4.674 40 10 IJCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409212109 557006874 /nfs/dbraw/zinc/00/68/74/557006874.db2.gz QEHLDCRPEVPKDO-GRSHGNNSSA-N 0 0 445.972 4.556 40 10 IJCBRN CCCN1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S ZINC000409329689 557064083 /nfs/dbraw/zinc/06/40/83/557064083.db2.gz GZTPXLVJNDSKLK-YVLHZVERSA-N 0 0 445.478 4.907 40 10 IJCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409331893 557065596 /nfs/dbraw/zinc/06/55/96/557065596.db2.gz PJMHOVRLIXQHOO-GRSHGNNSSA-N 0 0 429.519 4.619 40 10 IJCBRN O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1ccccc1F ZINC000409334922 557072262 /nfs/dbraw/zinc/07/22/62/557072262.db2.gz XYSCLEWDHFRASH-NTEUORMPSA-N 0 0 441.290 4.836 40 10 IJCBRN CCc1cccc2c(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)c[nH]c21 ZINC000409346442 557074847 /nfs/dbraw/zinc/07/48/47/557074847.db2.gz KPWKTEYAEVZCPJ-YVLHZVERSA-N 0 0 441.965 4.930 40 10 IJCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000017373774 557077541 /nfs/dbraw/zinc/07/75/41/557077541.db2.gz QGCWDBKKBREGMC-QGOAFFKASA-N 0 0 441.534 4.523 40 10 IJCBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000409367573 557088477 /nfs/dbraw/zinc/08/84/77/557088477.db2.gz ARMKRMRJCGXTQA-KPKJPENVSA-N 0 0 430.363 4.993 40 10 IJCBRN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000000954510 557117758 /nfs/dbraw/zinc/11/77/58/557117758.db2.gz SOTAPEXVWFGDQZ-KGENOOAVSA-N 0 0 427.891 4.804 40 10 IJCBRN CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1Br ZINC000106698390 557156250 /nfs/dbraw/zinc/15/62/50/557156250.db2.gz PSXGCRCGJBJOFB-YVLHZVERSA-N 0 0 435.318 4.891 40 10 IJCBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000040940275 557256923 /nfs/dbraw/zinc/25/69/23/557256923.db2.gz ROKZNTFRCMIOJJ-ATVHPVEESA-N 0 0 432.954 4.675 40 10 IJCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc1 ZINC000013025273 557274368 /nfs/dbraw/zinc/27/43/68/557274368.db2.gz QTLHQTZRKGUWST-DEOSSOPVSA-N 0 0 431.536 4.793 40 10 IJCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222747078 557382467 /nfs/dbraw/zinc/38/24/67/557382467.db2.gz PKKCTANAJUGYSV-LEWJYISDSA-N 0 0 426.973 4.753 40 10 IJCBRN COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222747015 557382497 /nfs/dbraw/zinc/38/24/97/557382497.db2.gz PKKCTANAJUGYSV-RTWAWAEBSA-N 0 0 426.973 4.753 40 10 IJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C ZINC000222854954 557394705 /nfs/dbraw/zinc/39/47/05/557394705.db2.gz CCGKWRBNQHBACL-DHIUTWEWSA-N 0 0 448.592 4.657 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000223013806 557415543 /nfs/dbraw/zinc/41/55/43/557415543.db2.gz WVWDYIWMNRZUBL-VWNXMTODSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000223051250 557421528 /nfs/dbraw/zinc/42/15/28/557421528.db2.gz OFVWMDZRXMZGSJ-RPWUZVMVSA-N 0 0 434.609 4.807 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000223052555 557422036 /nfs/dbraw/zinc/42/20/36/557422036.db2.gz XOCCINZZQVYXQE-PKTZIBPZSA-N 0 0 438.572 4.637 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)cc1OC ZINC000014413826 557445351 /nfs/dbraw/zinc/44/53/51/557445351.db2.gz GWPQTVLGUNBZAD-YBEGLDIGSA-N 0 0 445.874 4.764 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000014414282 557445361 /nfs/dbraw/zinc/44/53/61/557445361.db2.gz FSHGNSZICQKVON-PDGQHHTCSA-N 0 0 426.310 4.630 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000223307467 557457504 /nfs/dbraw/zinc/45/75/04/557457504.db2.gz FUUQORFUJYLNAW-GVXSCFBNSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000223306961 557457533 /nfs/dbraw/zinc/45/75/33/557457533.db2.gz QYQCLLDXXNESFO-NKKJXINNSA-N 0 0 432.593 4.641 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ncccc1C ZINC000223353424 557461675 /nfs/dbraw/zinc/46/16/75/557461675.db2.gz YSWYJBJVOBBINF-XZOQPEGZSA-N 0 0 443.576 4.958 40 10 IJCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1ccccc1 ZINC000223558581 557485762 /nfs/dbraw/zinc/48/57/62/557485762.db2.gz CNHUBVJCJAYNNH-DNQXCXABSA-N 0 0 425.561 4.748 40 10 IJCBRN Cc1nc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(Cl)cc1Br ZINC000223949963 557533022 /nfs/dbraw/zinc/53/30/22/557533022.db2.gz IGNGJTSGWJHDBZ-UHFFFAOYSA-N 0 0 439.810 4.893 40 10 IJCBRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1C ZINC000224890642 557663542 /nfs/dbraw/zinc/66/35/42/557663542.db2.gz MRVDPNBPMVYJKM-UHFFFAOYSA-N 0 0 429.925 4.997 40 10 IJCBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225582154 557746743 /nfs/dbraw/zinc/74/67/43/557746743.db2.gz TVVYENLAYNUCLW-UHFFFAOYSA-N 0 0 443.994 4.998 40 10 IJCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059138721 557816300 /nfs/dbraw/zinc/81/63/00/557816300.db2.gz BLCQPEQPSNZFNF-HZHRSRAPSA-N 0 0 427.504 4.720 40 10 IJCBRN CCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1OCC ZINC000059435674 557820635 /nfs/dbraw/zinc/82/06/35/557820635.db2.gz OBMVNTIRZKCNES-QNGOZBTKSA-N 0 0 435.520 4.747 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000260926968 568630528 /nfs/dbraw/zinc/63/05/28/568630528.db2.gz XHXUELQOWWUDDA-DCEDVJGZSA-N 0 0 446.620 4.949 40 10 IJCBRN Oc1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000329035312 568809948 /nfs/dbraw/zinc/80/99/48/568809948.db2.gz RCYFZGIAXFRMGD-UHFFFAOYSA-N 0 0 436.821 4.563 40 10 IJCBRN COc1cc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)cc(Br)c1OC ZINC000033853782 569259948 /nfs/dbraw/zinc/25/99/48/569259948.db2.gz DOZIIPXKRBBHGY-YBEGLDIGSA-N 0 0 433.327 4.857 40 10 IJCBRN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000040006343 569260361 /nfs/dbraw/zinc/26/03/61/569260361.db2.gz FGMWTCCCAJCGNF-SCWSXOCZSA-N 0 0 429.538 4.785 40 10 IJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000107564959 569260465 /nfs/dbraw/zinc/26/04/65/569260465.db2.gz HCRQGZLRIHHNBO-OVCLIPMQSA-N 0 0 439.345 4.548 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(OC)c2)SC1=S ZINC000002878663 569423915 /nfs/dbraw/zinc/42/39/15/569423915.db2.gz GKUKFTYAYWYCFP-ZHZULCJRSA-N 0 0 429.563 4.764 40 10 IJCBRN COc1ccc(S(=O)(=O)Nc2cc(SC3=NCCS3)c(O)c3ccccc23)cc1 ZINC000008870459 569480663 /nfs/dbraw/zinc/48/06/63/569480663.db2.gz FKOGNFSHUSTGRJ-UHFFFAOYSA-N 0 0 446.575 4.550 40 10 IJCBRN CC(C)c1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 ZINC000041076740 569526497 /nfs/dbraw/zinc/52/64/97/569526497.db2.gz FPJKHBYBASDOCO-PCHQCWAOSA-N 0 0 429.505 4.861 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=N)N2O1 ZINC000041078457 520851829 /nfs/dbraw/zinc/85/18/29/520851829.db2.gz QSKFSBQESYDNBE-GNMKNICSSA-N 0 0 437.883 4.557 40 10 IJCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1 ZINC000041083507 521695452 /nfs/dbraw/zinc/69/54/52/521695452.db2.gz FEBBGZCVCCPFOB-PZDWWLKRSA-N 0 0 427.530 4.563 40 10 IJCBRN O=c1[nH]c(CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)nc2ccccc12 ZINC000018118429 527437881 /nfs/dbraw/zinc/43/78/81/527437881.db2.gz OXWMPKCQMXYBPV-UHFFFAOYSA-N 0 0 432.480 4.859 40 10 IJCBRN CCn1c2ccc(NC=C3C(=O)N(c4cccc5ccccc54)N=C3C)cc2n(CC)c1=O ZINC000408528077 555724675 /nfs/dbraw/zinc/72/46/75/555724675.db2.gz FDDSRTMIPAVQPT-PGMHBOJBSA-N 0 0 439.519 4.715 40 10 IJCBRN CC(=O)Nc1cccc(NC=C2C(=O)N(c3ccc(Br)c(C)c3C)N=C2C)c1 ZINC000408533816 555748253 /nfs/dbraw/zinc/74/82/53/555748253.db2.gz PDPRACAMNGNGGW-WQRHYEAKSA-N 0 0 441.329 4.743 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)SC1=S ZINC000408571908 555915404 /nfs/dbraw/zinc/91/54/04/555915404.db2.gz DFJJRKVGNPRMFJ-WQRHYEAKSA-N 0 0 446.981 4.967 40 10 IJCBRN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1 ZINC000408577819 555928923 /nfs/dbraw/zinc/92/89/23/555928923.db2.gz UNDOQAFEOQMKTA-NDENLUEZSA-N 0 0 440.590 4.931 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408585770 555936651 /nfs/dbraw/zinc/93/66/51/555936651.db2.gz IFNWMRYSELXEKL-WQRHYEAKSA-N 0 0 426.856 4.742 40 10 IJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000408643966 556024155 /nfs/dbraw/zinc/02/41/55/556024155.db2.gz CZQMGARJIZKSSO-UHFFFAOYSA-N 0 0 448.519 4.702 40 10 IJCBRN COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000008951781 556235723 /nfs/dbraw/zinc/23/57/23/556235723.db2.gz YEXLXHBFFKLAFM-SFQUDFHCSA-N 0 0 432.954 4.579 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2cccc(C)c2)cc1 ZINC000408754585 556237178 /nfs/dbraw/zinc/23/71/78/556237178.db2.gz RIOFUNAPLIMCJO-HYARGMPZSA-N 0 0 426.472 4.957 40 10 IJCBRN O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000009262329 556269541 /nfs/dbraw/zinc/26/95/41/556269541.db2.gz BEVJUNUVZAXNEF-WOJGMQOQSA-N 0 0 434.298 4.826 40 10 IJCBRN CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 ZINC000009444680 556292432 /nfs/dbraw/zinc/29/24/32/556292432.db2.gz NJWGNQOTQZYZGW-LDADJPATSA-N 0 0 444.965 4.773 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1OCC ZINC000013547154 556514257 /nfs/dbraw/zinc/51/42/57/556514257.db2.gz RPHGMDIOQSOKRV-HKWRFOASSA-N 0 0 429.563 4.764 40 10 IJCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1ccccc1 ZINC000017373782 556676913 /nfs/dbraw/zinc/67/69/13/556676913.db2.gz ILSUKWIANZRDED-XDJHFCHBSA-N 0 0 445.009 4.680 40 10 IJCBRN CCN(CC)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000013759060 556728109 /nfs/dbraw/zinc/72/81/09/556728109.db2.gz FFNZMDGAQTWRCW-DSITVLBTSA-N 0 0 441.531 4.584 40 10 IJCBRN Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)c(=O)[nH]c12 ZINC000000875353 556728835 /nfs/dbraw/zinc/72/88/35/556728835.db2.gz IEMZXEHMAYBXMI-UHFFFAOYSA-N 0 0 435.524 4.646 40 10 IJCBRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc12 ZINC000000883279 556734060 /nfs/dbraw/zinc/73/40/60/556734060.db2.gz ISYLSDQVSYYTGJ-UHFFFAOYSA-N 0 0 431.561 4.815 40 10 IJCBRN Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1C ZINC000000931838 556757378 /nfs/dbraw/zinc/75/73/78/556757378.db2.gz ISGJFUIXXDTYBK-UHFFFAOYSA-N 0 0 431.561 4.815 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408767312 556830073 /nfs/dbraw/zinc/83/00/73/556830073.db2.gz ZDAQOVPCFJCXLZ-DEDYPNTBSA-N 0 0 434.879 4.897 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1F ZINC000408895986 556880958 /nfs/dbraw/zinc/88/09/58/556880958.db2.gz WSLZSYDUGBTVPQ-ATVHPVEESA-N 0 0 430.273 4.856 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408893248 556881707 /nfs/dbraw/zinc/88/17/07/556881707.db2.gz LLBXPWMDYKMTPZ-PDGQHHTCSA-N 0 0 442.309 4.643 40 10 IJCBRN CCCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1Br ZINC000408937041 556894973 /nfs/dbraw/zinc/89/49/73/556894973.db2.gz HOTDMEHDOWILNL-SFQUDFHCSA-N 0 0 427.298 4.680 40 10 IJCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000408960408 556900315 /nfs/dbraw/zinc/90/03/15/556900315.db2.gz LLUYXUKXEQJTGK-UNOMPAQXSA-N 0 0 441.940 4.615 40 10 IJCBRN O=C(Oc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000408975270 556905668 /nfs/dbraw/zinc/90/56/68/556905668.db2.gz LOSMJLUOVDTSLK-UHFFFAOYSA-N 0 0 445.434 4.585 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000409013358 556918940 /nfs/dbraw/zinc/91/89/40/556918940.db2.gz URMQMDALXPAMCG-XNHPLOEXSA-N 0 0 426.538 4.699 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000409018123 556919757 /nfs/dbraw/zinc/91/97/57/556919757.db2.gz RNNIYNRWTZVNIM-IDUWFGFVSA-N 0 0 433.247 4.779 40 10 IJCBRN CCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc32)C(=O)N(c2ccccc2)C1=S ZINC000409022787 556922994 /nfs/dbraw/zinc/92/29/94/556922994.db2.gz SRXLKGKVCJKDSR-PGMHBOJBSA-N 0 0 430.529 4.802 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000409022990 556923210 /nfs/dbraw/zinc/92/32/10/556923210.db2.gz ALYMEAKBMOAGNK-BOPFTXTBSA-N 0 0 427.884 4.543 40 10 IJCBRN COc1ccc(N(C)CCC(=O)N2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)cc1 ZINC000072353234 556925959 /nfs/dbraw/zinc/92/59/59/556925959.db2.gz WDWSRZPHKISNHM-DEOSSOPVSA-N 0 0 445.567 4.727 40 10 IJCBRN CCOc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cccc1OC ZINC000409032611 556927540 /nfs/dbraw/zinc/92/75/40/556927540.db2.gz KATYSEZHDBPCIF-FLIBITNWSA-N 0 0 426.341 4.596 40 10 IJCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)S1 ZINC000409077749 556944194 /nfs/dbraw/zinc/94/41/94/556944194.db2.gz FSGHBWNYCXBFJZ-CAOOACKPSA-N 0 0 435.332 4.987 40 10 IJCBRN O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1C[C@@H]1CCCO1 ZINC000409090767 556951675 /nfs/dbraw/zinc/95/16/75/556951675.db2.gz ONEHQUHIGOEPKT-BRLDDBHUSA-N 0 0 429.538 4.785 40 10 IJCBRN CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)cc1 ZINC000409105506 556958552 /nfs/dbraw/zinc/95/85/52/556958552.db2.gz KRNKEKJPYMOFER-UDWIEESQSA-N 0 0 426.538 4.644 40 10 IJCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O ZINC000409126062 556965165 /nfs/dbraw/zinc/96/51/65/556965165.db2.gz NSNIVDFTZWVBFX-GZTJUZNOSA-N 0 0 435.343 4.539 40 10 IJCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000409135135 556968897 /nfs/dbraw/zinc/96/88/97/556968897.db2.gz USLWNIKPMSBPHW-STZFKDTASA-N 0 0 449.601 4.916 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000409162798 556981204 /nfs/dbraw/zinc/98/12/04/556981204.db2.gz HZPVMSZXFCKRNT-KGENOOAVSA-N 0 0 437.565 4.825 40 10 IJCBRN CCOc1ccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000020176889 556995417 /nfs/dbraw/zinc/99/54/17/556995417.db2.gz BSQFLYJDIHQPBC-UHFFFAOYSA-N 0 0 443.528 4.746 40 10 IJCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)c1 ZINC000409329491 557063869 /nfs/dbraw/zinc/06/38/69/557063869.db2.gz GNVYLYMODSLFRX-CPNJWEJPSA-N 0 0 428.604 4.651 40 10 IJCBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)SC1=S ZINC000409332147 557065506 /nfs/dbraw/zinc/06/55/06/557065506.db2.gz POOIDJQEQKKYCH-UVTDQMKNSA-N 0 0 430.389 4.858 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OC ZINC000409332769 557065924 /nfs/dbraw/zinc/06/59/24/557065924.db2.gz QZOHXXTXYPGGCK-OQLLNIDSSA-N 0 0 436.898 4.671 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OCC)c1 ZINC000409334291 557066741 /nfs/dbraw/zinc/06/67/41/557066741.db2.gz WSYQZCQOMKJDFK-DJKKODMXSA-N 0 0 429.519 4.619 40 10 IJCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OC(C)C)SC2=S)c(Cl)c1 ZINC000409335938 557072465 /nfs/dbraw/zinc/07/24/65/557072465.db2.gz ZTQHTIWNSMLROS-WQRHYEAKSA-N 0 0 446.981 4.982 40 10 IJCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409339023 557074085 /nfs/dbraw/zinc/07/40/85/557074085.db2.gz DJEXHKMNGNBHCA-UNOMPAQXSA-N 0 0 444.534 4.794 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F ZINC000409363863 557083315 /nfs/dbraw/zinc/08/33/15/557083315.db2.gz VLLDMYAYEVXWQQ-OQLLNIDSSA-N 0 0 438.433 4.611 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409364944 557083578 /nfs/dbraw/zinc/08/35/78/557083578.db2.gz WVDBVKVXDZKVFF-KGENOOAVSA-N 0 0 437.565 4.825 40 10 IJCBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c(C)c1 ZINC000409374497 557090207 /nfs/dbraw/zinc/09/02/07/557090207.db2.gz RFRXEXNOVCKNJW-KGENOOAVSA-N 0 0 449.576 4.887 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000208470738 557091985 /nfs/dbraw/zinc/09/19/85/557091985.db2.gz JUTZEHRMOWTFJL-CAOOACKPSA-N 0 0 434.945 4.571 40 10 IJCBRN C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218051382 557176035 /nfs/dbraw/zinc/17/60/35/557176035.db2.gz RWMRSIDPHSRUTC-QZTJIDSGSA-N 0 0 427.570 4.942 40 10 IJCBRN O=C(NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422922 557210844 /nfs/dbraw/zinc/21/08/44/557210844.db2.gz SMKDVJZMELHGRO-CAOOACKPSA-N 0 0 432.998 4.789 40 10 IJCBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000040940332 557256935 /nfs/dbraw/zinc/25/69/35/557256935.db2.gz CGWDPOAWCTVKHT-BOPFTXTBSA-N 0 0 432.954 4.673 40 10 IJCBRN CCN1C(=O)C(=Cc2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C(=O)N(CC)C1=S ZINC000260565653 557287373 /nfs/dbraw/zinc/28/73/73/557287373.db2.gz JKLYDECJQATTSO-QGZVFWFLSA-N 0 0 441.641 4.875 40 10 IJCBRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000013479708 557322211 /nfs/dbraw/zinc/32/22/11/557322211.db2.gz VIAUWYWGHBLXFM-UHFFFAOYSA-N 0 0 441.874 4.862 40 10 IJCBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Br ZINC000013549086 557351108 /nfs/dbraw/zinc/35/11/08/557351108.db2.gz IVVSEQWWDVQHMH-UVTDQMKNSA-N 0 0 435.119 4.930 40 10 IJCBRN COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Oc1nc(Cl)ncc1F ZINC000013654704 557381582 /nfs/dbraw/zinc/38/15/82/557381582.db2.gz PHDMRXAOILLDQY-YBEGLDIGSA-N 0 0 438.846 4.876 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222878128 557396996 /nfs/dbraw/zinc/39/69/96/557396996.db2.gz FJUYAYKUAXCHIS-BJKOFHAPSA-N 0 0 433.625 4.938 40 10 IJCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000223013924 557415604 /nfs/dbraw/zinc/41/56/04/557415604.db2.gz WVWDYIWMNRZUBL-ISKFKSNPSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223051571 557421487 /nfs/dbraw/zinc/42/14/87/557421487.db2.gz ZBOFXKARXPMEEU-BJKOFHAPSA-N 0 0 434.609 4.807 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223050910 557421565 /nfs/dbraw/zinc/42/15/65/557421565.db2.gz ZTLXEIYVOREWAU-ZEQRLZLVSA-N 0 0 434.609 4.807 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000223053166 557422100 /nfs/dbraw/zinc/42/21/00/557422100.db2.gz SZZBQGQKVTUKTK-DHIUTWEWSA-N 0 0 438.572 4.637 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014406723 557443890 /nfs/dbraw/zinc/44/38/90/557443890.db2.gz WJVZNZBJQPRFCA-SXGWCWSVSA-N 0 0 448.700 4.685 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(O)cc1 ZINC000223347322 557461067 /nfs/dbraw/zinc/46/10/67/557461067.db2.gz FLHNKYHYZOGMFJ-ZEQRLZLVSA-N 0 0 444.560 4.960 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ncccc1C ZINC000223353363 557461637 /nfs/dbraw/zinc/46/16/37/557461637.db2.gz YSWYJBJVOBBINF-PKTZIBPZSA-N 0 0 443.576 4.958 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(C)cn1 ZINC000223353664 557461672 /nfs/dbraw/zinc/46/16/72/557461672.db2.gz YPIGWDKILOOYQE-BJKOFHAPSA-N 0 0 443.576 4.958 40 10 IJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223366641 557463315 /nfs/dbraw/zinc/46/33/15/557463315.db2.gz XWCWIZUBEUHUCU-BJKOFHAPSA-N 0 0 444.560 4.955 40 10 IJCBRN COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223516375 557481287 /nfs/dbraw/zinc/48/12/87/557481287.db2.gz YWHFFYBDXRUVIC-VXLYETTFSA-N 0 0 428.554 4.615 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc21 ZINC000223574018 557487693 /nfs/dbraw/zinc/48/76/93/557487693.db2.gz LMWLVHLBTFCFAO-RPBOFIJWSA-N 0 0 442.588 4.607 40 10 IJCBRN FC(F)(F)c1cc(NC(=S)NCc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000225420203 557721076 /nfs/dbraw/zinc/72/10/76/557721076.db2.gz JZSOAFBXYDFXIC-UHFFFAOYSA-N 0 0 429.895 4.682 40 10 IJCBRN Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1N1CCCC1=O ZINC000225692139 557764653 /nfs/dbraw/zinc/76/46/53/557764653.db2.gz XQDBGHMDHRNVDC-GOSISDBHSA-N 0 0 436.625 4.845 40 10 IJCBRN NC(=O)Cn1cc(C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)c2ccccc21 ZINC000033385897 557807835 /nfs/dbraw/zinc/80/78/35/557807835.db2.gz WEHBVSQDTZVTRL-PXNMLYILSA-N 0 0 445.331 4.516 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000260781378 557855551 /nfs/dbraw/zinc/85/55/51/557855551.db2.gz SSPPVKGTRINDQQ-AIYSXCBHSA-N 0 0 432.549 4.807 40 10 IJCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OC(C)C ZINC000010131243 569259112 /nfs/dbraw/zinc/25/91/12/569259112.db2.gz POVXQEXISWNDSB-ZROIWOOFSA-N 0 0 430.389 4.856 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O ZINC000205712224 569261037 /nfs/dbraw/zinc/26/10/37/569261037.db2.gz HIEJJUPYRPIZNJ-VCHYOVAHSA-N 0 0 432.929 4.655 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 ZINC000003035076 569437934 /nfs/dbraw/zinc/43/79/34/569437934.db2.gz CEJQTDMDBITKLA-YBEGLDIGSA-N 0 0 436.352 4.959 40 10 IJCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)cc1 ZINC000001183043 132238855 /nfs/dbraw/zinc/23/88/55/132238855.db2.gz LNXXVTNCAMQJGQ-LTGZKZEYSA-N 0 0 436.602 4.956 40 10 IJCBRN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=N)S1 ZINC000041083205 519558749 /nfs/dbraw/zinc/55/87/49/519558749.db2.gz ISNVTDLHXMHXBY-ACXWOISZSA-N 0 0 442.342 4.515 40 10 IJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(OC)c(Cl)c3)C2=N)S1 ZINC000041082807 519917519 /nfs/dbraw/zinc/91/75/19/519917519.db2.gz ASVHISXNILPLPC-OOYUFVOFSA-N 0 0 441.944 4.949 40 10 IJCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000001263212 526706058 /nfs/dbraw/zinc/70/60/58/526706058.db2.gz FYXSDHYVOUZMPV-NTUHNPAUSA-N 0 0 429.375 4.895 40 10 IJCBRN COc1ccc(N2CCN(C(=S)c3ccc(OCc4ccccc4)c(OC)c3)CC2)cc1 ZINC000009188038 536692422 /nfs/dbraw/zinc/69/24/22/536692422.db2.gz NPMHGJVMJNGSFY-UHFFFAOYSA-N 0 0 448.588 4.781 40 10 IJCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1 ZINC000001179846 555671183 /nfs/dbraw/zinc/67/11/83/555671183.db2.gz ITHARBSRXLBIMP-SFQUDFHCSA-N 0 0 432.954 4.666 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408531091 555729588 /nfs/dbraw/zinc/72/95/88/555729588.db2.gz OAJAEWVIWREVIT-JCMHNJIXSA-N 0 0 427.456 4.504 40 10 IJCBRN CCOc1cccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)c1O ZINC000408586199 555936850 /nfs/dbraw/zinc/93/68/50/555936850.db2.gz LUXLGPWAEUQHIC-BOPFTXTBSA-N 0 0 447.409 4.687 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000008819093 556218770 /nfs/dbraw/zinc/21/87/70/556218770.db2.gz LOWIGCBLPMEBCZ-YVLHZVERSA-N 0 0 432.954 4.579 40 10 IJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000008819297 556219000 /nfs/dbraw/zinc/21/90/00/556219000.db2.gz YCHULZKSIOPBDN-UYRXBGFRSA-N 0 0 426.563 4.542 40 10 IJCBRN CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000008820417 556220393 /nfs/dbraw/zinc/22/03/93/556220393.db2.gz RFOMCPUGQAHILO-CRVGVPJFSA-N 0 0 438.574 4.872 40 10 IJCBRN Cc1csc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)n1 ZINC000008820515 556220839 /nfs/dbraw/zinc/22/08/39/556220839.db2.gz YTKNPXMBDZUJCE-RVXWWDRGSA-N 0 0 429.592 4.628 40 10 IJCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 ZINC000008821842 556223893 /nfs/dbraw/zinc/22/38/93/556223893.db2.gz GIUWURGBKYXBQJ-UDWIEESQSA-N 0 0 448.460 4.896 40 10 IJCBRN CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000008911462 556231638 /nfs/dbraw/zinc/23/16/38/556231638.db2.gz XJXFEKMNUIWWDG-XMHGGMMESA-N 0 0 445.009 4.980 40 10 IJCBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000408754895 556237934 /nfs/dbraw/zinc/23/79/34/556237934.db2.gz AIVWGNXEUPECLJ-YDZHTSKRSA-N 0 0 429.480 4.820 40 10 IJCBRN O=C1/C(=C/c2ccccc2Br)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000009188379 556251082 /nfs/dbraw/zinc/25/10/82/556251082.db2.gz WWAXDEOZZULBDZ-PXNMLYILSA-N 0 0 434.336 4.579 40 10 IJCBRN CN(C)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Br ZINC000009294950 556274316 /nfs/dbraw/zinc/27/43/16/556274316.db2.gz PYXAUTRMFNHFLB-GZTJUZNOSA-N 0 0 433.396 4.917 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc(Br)c1O ZINC000009296045 556275240 /nfs/dbraw/zinc/27/52/40/556275240.db2.gz PAFHXSACRHCIBD-GDNBJRDFSA-N 0 0 442.400 4.945 40 10 IJCBRN Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000000857535 556722642 /nfs/dbraw/zinc/72/26/42/556722642.db2.gz DKQWIJZGPBDXNE-UHFFFAOYSA-N 0 0 430.298 4.610 40 10 IJCBRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)cc2c1 ZINC000000875299 556728780 /nfs/dbraw/zinc/72/87/80/556728780.db2.gz OVAAYZMSEJNONA-UHFFFAOYSA-N 0 0 449.551 4.900 40 10 IJCBRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)cc2c1 ZINC000000931519 556757093 /nfs/dbraw/zinc/75/70/93/556757093.db2.gz NAVWHNDQKAZHJZ-UHFFFAOYSA-N 0 0 449.551 4.954 40 10 IJCBRN COc1ccc(N2CCN(C(=O)CSc3nc4c(C)ccc(C)c4cc3C)CC2)cc1 ZINC000000932967 556759044 /nfs/dbraw/zinc/75/90/44/556759044.db2.gz WFOQRPJLZZPXOO-UHFFFAOYSA-N 0 0 435.593 4.610 40 10 IJCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1Br ZINC000001235922 556769917 /nfs/dbraw/zinc/76/99/17/556769917.db2.gz NGOZZLTXDAWWHF-FOWTUZBSSA-N 0 0 447.379 4.679 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000408896346 556881253 /nfs/dbraw/zinc/88/12/53/556881253.db2.gz YAHAMAMHUIBGMM-UYRXBGFRSA-N 0 0 427.884 4.625 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000408997248 556912491 /nfs/dbraw/zinc/91/24/91/556912491.db2.gz MFYLHNZFDPZORI-UNOMPAQXSA-N 0 0 426.310 4.943 40 10 IJCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)ccc1O ZINC000409015449 556920696 /nfs/dbraw/zinc/92/06/96/556920696.db2.gz ASEUJFGKVTZPAM-YVLHZVERSA-N 0 0 447.409 4.687 40 10 IJCBRN COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1C(C)C ZINC000409093545 556949493 /nfs/dbraw/zinc/94/94/93/556949493.db2.gz AEXSJHKWNPBWMU-GZTJUZNOSA-N 0 0 442.968 4.920 40 10 IJCBRN Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000409092075 556952231 /nfs/dbraw/zinc/95/22/31/556952231.db2.gz SSRXWTSHFQAFBR-UOIFGXKSSA-N 0 0 425.575 4.954 40 10 IJCBRN CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 ZINC000409132007 556963631 /nfs/dbraw/zinc/96/36/31/556963631.db2.gz OCQCRMGAENGHLL-MOSHPQCFSA-N 0 0 442.606 4.986 40 10 IJCBRN Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409125381 556964945 /nfs/dbraw/zinc/96/49/45/556964945.db2.gz NFICAUFNOIWKDA-YVLHZVERSA-N 0 0 432.387 4.503 40 10 IJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020039103 556971193 /nfs/dbraw/zinc/97/11/93/556971193.db2.gz SECUPBDKDKNSLP-UHFFFAOYSA-N 0 0 448.588 4.624 40 10 IJCBRN CCOc1cc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCC ZINC000409147513 556973434 /nfs/dbraw/zinc/97/34/34/556973434.db2.gz ZUHQOPNDHOANNT-HNNXBMFYSA-N 0 0 446.432 4.674 40 10 IJCBRN COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409194020 556993222 /nfs/dbraw/zinc/99/32/22/556993222.db2.gz KHFYGNCTIQPURZ-OQLLNIDSSA-N 0 0 434.336 4.642 40 10 IJCBRN CCN1c2ccccc2/C(=C\c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)C1=O ZINC000409197133 556994722 /nfs/dbraw/zinc/99/47/22/556994722.db2.gz WSATVHZRBHYZSB-XQNSMLJCSA-N 0 0 427.548 4.807 40 10 IJCBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(CC)C2=O)cc1OCC ZINC000409343342 557070554 /nfs/dbraw/zinc/07/05/54/557070554.db2.gz GUXRILDTXWYJNQ-GXDHUFHOSA-N 0 0 430.389 4.858 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409347798 557075887 /nfs/dbraw/zinc/07/58/87/557075887.db2.gz RJFKJVKMQLCXKM-PDGQHHTCSA-N 0 0 430.507 4.798 40 10 IJCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000017373776 557077490 /nfs/dbraw/zinc/07/74/90/557077490.db2.gz XQTGMYAYYBHLRU-QGOAFFKASA-N 0 0 441.534 4.523 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208235947 557079832 /nfs/dbraw/zinc/07/98/32/557079832.db2.gz YSIJGUAJEJFYKL-WTQAEKLLSA-N 0 0 430.570 4.705 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000101378824 557123914 /nfs/dbraw/zinc/12/39/14/557123914.db2.gz AOIWDCZRHNJABF-KQWNVCNZSA-N 0 0 432.501 4.569 40 10 IJCBRN C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218051464 557176076 /nfs/dbraw/zinc/17/60/76/557176076.db2.gz RWMRSIDPHSRUTC-MSOLQXFVSA-N 0 0 427.570 4.942 40 10 IJCBRN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422707 557210514 /nfs/dbraw/zinc/21/05/14/557210514.db2.gz GZVRKIAHYSEFQS-CAOOACKPSA-N 0 0 432.998 4.789 40 10 IJCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219843503 557270044 /nfs/dbraw/zinc/27/00/44/557270044.db2.gz KIAHWIRYIBXNQN-UHFFFAOYSA-N 0 0 436.939 4.686 40 10 IJCBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S ZINC000113834451 557307603 /nfs/dbraw/zinc/30/76/03/557307603.db2.gz NOOYCGZVIWYVIP-XDHOZWIPSA-N 0 0 444.534 4.794 40 10 IJCBRN CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000013509938 557331672 /nfs/dbraw/zinc/33/16/72/557331672.db2.gz DUSLUAPGUOWPHT-UHFFFAOYSA-N 0 0 426.517 4.788 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000222900099 557400420 /nfs/dbraw/zinc/40/04/20/557400420.db2.gz SGMHEKWLROTLOL-XZOQPEGZSA-N 0 0 448.592 4.658 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000222900046 557400423 /nfs/dbraw/zinc/40/04/23/557400423.db2.gz SGMHEKWLROTLOL-PKTZIBPZSA-N 0 0 448.592 4.658 40 10 IJCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCOC)c1C ZINC000223007332 557414845 /nfs/dbraw/zinc/41/48/45/557414845.db2.gz FKKAYXXUZODWNO-RPWUZVMVSA-N 0 0 434.609 4.670 40 10 IJCBRN O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132509 557421609 /nfs/dbraw/zinc/42/16/09/557421609.db2.gz ZQIQUSBVIBVFKH-XQNSMLJCSA-N 0 0 430.529 4.913 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000014406599 557443829 /nfs/dbraw/zinc/44/38/29/557443829.db2.gz BDDBIVDJYOOXSS-PDGQHHTCSA-N 0 0 426.856 4.824 40 10 IJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000014414485 557445682 /nfs/dbraw/zinc/44/56/82/557445682.db2.gz YRFPSLSOSNKUMZ-FDIDITGRSA-N 0 0 426.856 4.682 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000223306893 557457541 /nfs/dbraw/zinc/45/75/41/557457541.db2.gz QYQCLLDXXNESFO-ZTCOLXNVSA-N 0 0 432.593 4.641 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1O ZINC000223347025 557460819 /nfs/dbraw/zinc/46/08/19/557460819.db2.gz HTFURNLREZVXQW-BJKOFHAPSA-N 0 0 444.560 4.960 40 10 IJCBRN CCN1c2cc(C)c(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)cc2[C@@H](C)CC1(C)C ZINC000260569713 557492536 /nfs/dbraw/zinc/49/25/36/557492536.db2.gz RLJXPOYEKOCPGA-RBXCXTNXSA-N 0 0 430.570 4.705 40 10 IJCBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C ZINC000223622848 557493297 /nfs/dbraw/zinc/49/32/97/557493297.db2.gz NUVFVJOKAYLJQM-UKILVPOCSA-N 0 0 448.636 4.715 40 10 IJCBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCc2ccco2)cc1 ZINC000019640879 557503781 /nfs/dbraw/zinc/50/37/81/557503781.db2.gz PGIKFJWAHIGCEZ-QNGOZBTKSA-N 0 0 444.516 4.713 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccn1 ZINC000223848105 557520279 /nfs/dbraw/zinc/52/02/79/557520279.db2.gz AKPNPOQCFIHEBK-BJKOFHAPSA-N 0 0 441.560 4.767 40 10 IJCBRN O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225650774 557756848 /nfs/dbraw/zinc/75/68/48/557756848.db2.gz QRNZDZZLWOJYIY-MOHJPFBDSA-N 0 0 445.588 4.826 40 10 IJCBRN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1I ZINC000059417961 557822956 /nfs/dbraw/zinc/82/29/56/557822956.db2.gz XUAWOHROSPKGRE-ZROIWOOFSA-N 0 0 441.290 4.836 40 10 IJCBRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000103093755 568900821 /nfs/dbraw/zinc/90/08/21/568900821.db2.gz URQOLDRXHMGBON-OCEACIFDSA-N 0 0 447.451 4.872 40 10 IJCBRN O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215114572 569261464 /nfs/dbraw/zinc/26/14/64/569261464.db2.gz ZYEIWEGULJHDPJ-YBFXNURJSA-N 0 0 432.904 4.552 40 10 IJCBRN CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3OC)c2)SC1=S ZINC000002882653 569424190 /nfs/dbraw/zinc/42/41/90/569424190.db2.gz MOLHYVXEUDZQRQ-HKWRFOASSA-N 0 0 429.563 4.764 40 10 IJCBRN Cc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(Cc3ccccc3)SC2=NC1=O ZINC000041076259 569526381 /nfs/dbraw/zinc/52/63/81/569526381.db2.gz VJTPWDVPNXPLNP-OIYMOPNQSA-N 0 0 439.544 4.956 40 10 IJCBRN N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000041076352 569526390 /nfs/dbraw/zinc/52/63/90/569526390.db2.gz GZJVKNUUWRVWBQ-JJEZRMFNSA-N 0 0 448.508 4.585 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000223307090 193964645 /nfs/dbraw/zinc/96/46/45/193964645.db2.gz XHXUELQOWWUDDA-BUUDZMLXSA-N 0 0 446.620 4.949 40 10 IJCBRN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000009189278 132307729 /nfs/dbraw/zinc/30/77/29/132307729.db2.gz KJBWKLCGUMLPSD-WQRHYEAKSA-N 0 0 436.339 4.925 40 10 IJCBRN CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1 ZINC000012278488 518357243 /nfs/dbraw/zinc/35/72/43/518357243.db2.gz CMHWADXPHVMQCV-AWUCTABVSA-N 0 0 436.558 4.675 40 10 IJCBRN COc1ccc(N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc43)CC2)cc1 ZINC000012639707 524438700 /nfs/dbraw/zinc/43/87/00/524438700.db2.gz ZBJBMVUFZFAYPG-UHFFFAOYSA-N 0 0 437.956 4.742 40 10 IJCBRN Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 ZINC000041108515 525912170 /nfs/dbraw/zinc/91/21/70/525912170.db2.gz VEUHYYMJJRLXED-JRCZNVDKSA-N 0 0 425.517 4.648 40 10 IJCBRN Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 ZINC000041108210 525912924 /nfs/dbraw/zinc/91/29/24/525912924.db2.gz GQFAOXVVSYFFMH-NREDLREFSA-N 0 0 429.480 4.592 40 10 IJCBRN N=C1/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000041084251 526837514 /nfs/dbraw/zinc/83/75/14/526837514.db2.gz HVOYLMPFVVJKJC-MQIWZSEOSA-N 0 0 445.529 4.634 40 10 IJCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(C(C)(C)C)cc4)S3)CC2)cc1 ZINC000009188209 536692154 /nfs/dbraw/zinc/69/21/54/536692154.db2.gz ZYSQEWUSIAYDIX-XLNRJJMWSA-N 0 0 435.593 4.785 40 10 IJCBRN CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000408571237 555914988 /nfs/dbraw/zinc/91/49/88/555914988.db2.gz ANEBPSVVKXPWMJ-MOSHPQCFSA-N 0 0 440.590 4.876 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408586305 555938803 /nfs/dbraw/zinc/93/88/03/555938803.db2.gz MRILZFMIYKVGKJ-UVTDQMKNSA-N 0 0 448.700 4.685 40 10 IJCBRN CCOc1cccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)c1O ZINC000408586640 555939082 /nfs/dbraw/zinc/93/90/82/555939082.db2.gz OJMOBSDVRWBXFF-IUXPMGMMSA-N 0 0 448.302 4.975 40 10 IJCBRN COc1cc(Br)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)c1OC(C)=O ZINC000408740933 556213392 /nfs/dbraw/zinc/21/33/92/556213392.db2.gz FEPMKXHRWMMNHI-PXNMLYILSA-N 0 0 429.266 4.673 40 10 IJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C)c2C)C1=O ZINC000008819295 556218930 /nfs/dbraw/zinc/21/89/30/556218930.db2.gz SGMAENVLGKHYKC-UYRXBGFRSA-N 0 0 426.563 4.542 40 10 IJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C)cc2C)C1=O ZINC000008819296 556218951 /nfs/dbraw/zinc/21/89/51/556218951.db2.gz KMRNIBXEAUDLKP-UYRXBGFRSA-N 0 0 426.563 4.542 40 10 IJCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(F)c(Cl)c1 ZINC000008819236 556219015 /nfs/dbraw/zinc/21/90/15/556219015.db2.gz OUPYMWIOKXRNPS-SXGWCWSVSA-N 0 0 438.908 4.848 40 10 IJCBRN CCOc1ccc(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)c(OC)c1 ZINC000008820704 556221015 /nfs/dbraw/zinc/22/10/15/556221015.db2.gz WANPOMCPHGOCTE-LICLKQGHSA-N 0 0 433.327 4.939 40 10 IJCBRN CCN(CC)c1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 ZINC000011640041 556342668 /nfs/dbraw/zinc/34/26/68/556342668.db2.gz RZEIUVTYZHNVLD-XSFVSMFZSA-N 0 0 428.579 4.956 40 10 IJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(/C=C2/C(=O)N(c3ccccc3)N[C@H]2C)c1 ZINC000016605580 556617005 /nfs/dbraw/zinc/61/70/05/556617005.db2.gz ARUIUQLJGJFWIL-BUWZEDQPSA-N 0 0 448.526 4.816 40 10 IJCBRN CC(C)CCN1c2ccccc2/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)C1=O ZINC000016804932 556643414 /nfs/dbraw/zinc/64/34/14/556643414.db2.gz ZSPAJBKMUHULAQ-MRCUWXFGSA-N 0 0 436.602 4.893 40 10 IJCBRN CC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)cc1 ZINC000001894855 556797867 /nfs/dbraw/zinc/79/78/67/556797867.db2.gz MHBKDSRZHBHLQO-ATVHPVEESA-N 0 0 430.576 4.571 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000408768674 556846913 /nfs/dbraw/zinc/84/69/13/556846913.db2.gz JOAJWZKXEBAUGX-WJDWOHSUSA-N 0 0 432.701 4.980 40 10 IJCBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O ZINC000408962511 556901393 /nfs/dbraw/zinc/90/13/93/556901393.db2.gz YRXSIARHBVVIOZ-STZFKDTASA-N 0 0 435.549 4.579 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408987933 556910526 /nfs/dbraw/zinc/91/05/26/556910526.db2.gz PSHIIQXHBUKFGH-UNOMPAQXSA-N 0 0 436.464 4.604 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C1=O ZINC000409018007 556919567 /nfs/dbraw/zinc/91/95/67/556919567.db2.gz GZQOGDPJYDMNEC-RBYWHNRPSA-N 0 0 426.538 4.644 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000409018388 556919790 /nfs/dbraw/zinc/91/97/90/556919790.db2.gz LONWDBKGMSRCBY-WSVATBPTSA-N 0 0 448.302 4.888 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O ZINC000409073853 556946759 /nfs/dbraw/zinc/94/67/59/556946759.db2.gz IYIKHUPALQMZHK-YFEUJDIGSA-N 0 0 432.929 4.654 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O ZINC000409106680 556959074 /nfs/dbraw/zinc/95/90/74/556959074.db2.gz SKNKZWQNKBTKQX-REIAIGDLSA-N 0 0 434.517 4.845 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O ZINC000409106681 556959124 /nfs/dbraw/zinc/95/91/24/556959124.db2.gz SKNKZWQNKBTKQX-WMRWHDLOSA-N 0 0 434.517 4.845 40 10 IJCBRN CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)C1=O ZINC000409126809 556965570 /nfs/dbraw/zinc/96/55/70/556965570.db2.gz GCKNWMZKLIRSOI-NDENLUEZSA-N 0 0 440.525 4.659 40 10 IJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O ZINC000409135878 556969372 /nfs/dbraw/zinc/96/93/72/556969372.db2.gz QXSGHQLFUPQDPC-FYJGNVAPSA-N 0 0 430.570 4.921 40 10 IJCBRN O=C1[C@H](Cc2ccccc2OCc2cccc(F)c2)SC(=S)N1Cc1cccnc1 ZINC000409147234 556973150 /nfs/dbraw/zinc/97/31/50/556973150.db2.gz XGKIAXZJVHXOPB-NRFANRHFSA-N 0 0 438.549 4.771 40 10 IJCBRN COc1c(Br)cc(Cl)cc1C[C@H]1SC(=S)N(Cc2ccco2)C1=O ZINC000409143618 556975669 /nfs/dbraw/zinc/97/56/69/556975669.db2.gz GNKOUWBTTIZPEG-CYBMUJFWSA-N 0 0 446.775 4.676 40 10 IJCBRN O=C(NN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000409339081 557074083 /nfs/dbraw/zinc/07/40/83/557074083.db2.gz RQARHWRFEGNYOY-ZROIWOOFSA-N 0 0 442.871 4.905 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)SC2=S)cc1Cl ZINC000409339501 557074681 /nfs/dbraw/zinc/07/46/81/557074681.db2.gz JEGBZECMJBVKFK-NVMNQCDNSA-N 0 0 449.937 4.688 40 10 IJCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)SC1=S ZINC000409349246 557077179 /nfs/dbraw/zinc/07/71/79/557077179.db2.gz VCSXWRJFYBXOAJ-UYRXBGFRSA-N 0 0 426.563 4.624 40 10 IJCBRN CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000409353021 557080308 /nfs/dbraw/zinc/08/03/08/557080308.db2.gz ZWIKTHVVFLXHSD-KGENOOAVSA-N 0 0 431.517 4.581 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F ZINC000409356410 557084252 /nfs/dbraw/zinc/08/42/52/557084252.db2.gz GIJDPKDHDJCZOY-OVCLIPMQSA-N 0 0 438.433 4.611 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 ZINC000409359329 557085936 /nfs/dbraw/zinc/08/59/36/557085936.db2.gz NXWKVPACYHELEO-KGENOOAVSA-N 0 0 437.565 4.825 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccccc1C(F)(F)F ZINC000409370141 557089389 /nfs/dbraw/zinc/08/93/89/557089389.db2.gz LVEVMPDSGQHVPI-PDGQHHTCSA-N 0 0 429.394 4.785 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000100207995 557111580 /nfs/dbraw/zinc/11/15/80/557111580.db2.gz HKBPCJCEYYAXQL-AQTBWJFISA-N 0 0 442.309 4.725 40 10 IJCBRN COc1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)cc1Br ZINC000100286020 557112458 /nfs/dbraw/zinc/11/24/58/557112458.db2.gz NMYGZEZXLVKMNE-UKTHLTGXSA-N 0 0 428.311 4.874 40 10 IJCBRN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)sc2c1 ZINC000100552406 557115024 /nfs/dbraw/zinc/11/50/24/557115024.db2.gz HRFGKOOQOAUPRX-GDNBJRDFSA-N 0 0 443.326 4.786 40 10 IJCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000106754554 557160804 /nfs/dbraw/zinc/16/08/04/557160804.db2.gz ZAFAHHRATHUNON-ZDLGFXPLSA-N 0 0 432.929 4.735 40 10 IJCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 ZINC000013025182 557274362 /nfs/dbraw/zinc/27/43/62/557274362.db2.gz ZPBZYHPSCSMGMO-RUZDIDTESA-N 0 0 445.563 4.788 40 10 IJCBRN COc1cc(N2CCCCC2)c(OC)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222596558 557358410 /nfs/dbraw/zinc/35/84/10/557358410.db2.gz WECYAEFVZBPSGG-IRBZQWRBSA-N 0 0 438.597 4.678 40 10 IJCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C ZINC000222855064 557394840 /nfs/dbraw/zinc/39/48/40/557394840.db2.gz CCGKWRBNQHBACL-XZOQPEGZSA-N 0 0 448.592 4.657 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000222880125 557397245 /nfs/dbraw/zinc/39/72/45/557397245.db2.gz LKKAFUHYHSXVNO-PKTZIBPZSA-N 0 0 434.565 4.600 40 10 IJCBRN CCc1ccc(OCCCOc2c(/C=C3\SC(=S)N(C)C3=O)cccc2OC)cc1 ZINC000033430129 557397320 /nfs/dbraw/zinc/39/73/20/557397320.db2.gz IXUAGQOUWJTOIV-HKWRFOASSA-N 0 0 443.590 4.937 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000222900762 557400678 /nfs/dbraw/zinc/40/06/78/557400678.db2.gz MZALTKPRTRRYOU-DHIUTWEWSA-N 0 0 448.592 4.658 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222925274 557403898 /nfs/dbraw/zinc/40/38/98/557403898.db2.gz AFQNFOYRFJBNIA-BJKOFHAPSA-N 0 0 448.592 4.846 40 10 IJCBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCOC)c1C ZINC000223007450 557414670 /nfs/dbraw/zinc/41/46/70/557414670.db2.gz FKKAYXXUZODWNO-ZEQRLZLVSA-N 0 0 434.609 4.670 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000223013730 557415578 /nfs/dbraw/zinc/41/55/78/557415578.db2.gz WVWDYIWMNRZUBL-UPVQGACJSA-N 0 0 434.609 4.725 40 10 IJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1Br ZINC000014415119 557446728 /nfs/dbraw/zinc/44/67/28/557446728.db2.gz BDPJKHYGEGHOPB-CYVLTUHYSA-N 0 0 440.337 4.755 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000223307010 557457555 /nfs/dbraw/zinc/45/75/55/557457555.db2.gz QYQCLLDXXNESFO-OYDLWJJNSA-N 0 0 432.593 4.641 40 10 IJCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCc3ccc(F)cc3)C2=O)cc1 ZINC000017096486 557476654 /nfs/dbraw/zinc/47/66/54/557476654.db2.gz PUCHZNZGZRAQSR-MOHJPFBDSA-N 0 0 429.495 4.692 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O ZINC000223536129 557483048 /nfs/dbraw/zinc/48/30/48/557483048.db2.gz CGMCOKGQQLWQTO-PTKRALEFSA-N 0 0 430.570 4.787 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223562045 557486181 /nfs/dbraw/zinc/48/61/81/557486181.db2.gz WJXRJEAVILTFTJ-SKCQWOFPSA-N 0 0 430.570 4.787 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223561991 557486220 /nfs/dbraw/zinc/48/62/20/557486220.db2.gz WJXRJEAVILTFTJ-BKQORJHRSA-N 0 0 430.570 4.787 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1c(C)cc(C)cc1C ZINC000223621139 557493066 /nfs/dbraw/zinc/49/30/66/557493066.db2.gz ROEZGOZHSOLMRZ-ILBGXUMGSA-N 0 0 448.636 4.769 40 10 IJCBRN COc1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000019638253 557503432 /nfs/dbraw/zinc/50/34/32/557503432.db2.gz HNBYUHFLFUMJTH-ULJHMMPZSA-N 0 0 443.503 4.849 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000058883871 557814739 /nfs/dbraw/zinc/81/47/39/557814739.db2.gz AFHSMDFXRWZZSG-GDNBJRDFSA-N 0 0 448.302 4.888 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000058884080 557814792 /nfs/dbraw/zinc/81/47/92/557814792.db2.gz KJQQOGOKKPAJPK-YVLHZVERSA-N 0 0 432.701 4.980 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1 ZINC000059959297 557828161 /nfs/dbraw/zinc/82/81/61/557828161.db2.gz YNSMRLQVLBZPRP-UNOMPAQXSA-N 0 0 442.309 4.725 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000260921293 568629500 /nfs/dbraw/zinc/62/95/00/568629500.db2.gz PFBSTBZJCWGQBM-IEZKXTBUSA-N 0 0 446.620 4.949 40 10 IJCBRN COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000226799485 569182941 /nfs/dbraw/zinc/18/29/41/569182941.db2.gz MNBALNTTYRYHIB-LVCYWYKZSA-N 0 0 427.342 4.652 40 10 IJCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1 ZINC000033713563 569259666 /nfs/dbraw/zinc/25/96/66/569259666.db2.gz CMZWMZMQRBLYLK-OQLLNIDSSA-N 0 0 439.345 4.548 40 10 IJCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000035198834 569260245 /nfs/dbraw/zinc/26/02/45/569260245.db2.gz KXGRTJASEIZIEY-AQTBWJFISA-N 0 0 430.888 4.811 40 10 IJCBRN CCCCCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1OC ZINC000206937983 569261208 /nfs/dbraw/zinc/26/12/08/569261208.db2.gz ZETCXHBOSKKNRO-GXDHUFHOSA-N 0 0 430.389 4.906 40 10 IJCBRN Cc1ccc(S(=O)(=O)Nc2cc(SC3=NCCS3)c(O)c3ccccc23)cc1 ZINC000008870458 569480616 /nfs/dbraw/zinc/48/06/16/569480616.db2.gz AXZLPUPTCPBHFA-UHFFFAOYSA-N 0 0 430.576 4.850 40 10 IJCBRN COc1ccccc1-n1cccc1/C=C1/C(=N)N2N=C(C3CCCCC3)SC2=NC1=O ZINC000041076349 569526368 /nfs/dbraw/zinc/52/63/68/569526368.db2.gz AFUVGOXEVZGYMB-GETDDEKSSA-N 0 0 433.537 4.685 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(O)cc1 ZINC000223347267 193969381 /nfs/dbraw/zinc/96/93/81/193969381.db2.gz FLHNKYHYZOGMFJ-BJKOFHAPSA-N 0 0 444.560 4.960 40 10 IJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)N2CCCc3ccccc32)C1=O ZINC000008820637 132295024 /nfs/dbraw/zinc/29/50/24/132295024.db2.gz PWCZSMZYQUHHBG-CMMGMQPASA-N 0 0 434.586 4.814 40 10 IJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4OCC)c3C)C2=N)S1 ZINC000041108467 519894500 /nfs/dbraw/zinc/89/45/00/519894500.db2.gz KMBQFLCXDDUELI-XJKKKVNGSA-N 0 0 435.553 4.912 40 10 IJCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000012278475 526476733 /nfs/dbraw/zinc/47/67/33/526476733.db2.gz YOFCVCGNLGFWPX-NTEUORMPSA-N 0 0 427.334 4.816 40 10 IJCBRN N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084918 526836017 /nfs/dbraw/zinc/83/60/17/526836017.db2.gz WDXANSNYASTSNK-WAKLOXMOSA-N 0 0 439.928 4.663 40 10 IJCBRN N=C1/C(=C/c2ccc(Br)cc2)C(=O)N=C2SC=C(c3ccc(F)cc3)N21 ZINC000041083594 526837134 /nfs/dbraw/zinc/83/71/34/526837134.db2.gz PZFUVHGECZCSTN-OSIMKLFKSA-N 0 0 428.286 4.892 40 10 IJCBRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000408647074 556022599 /nfs/dbraw/zinc/02/25/99/556022599.db2.gz RLLRLCHEOPWMDF-UHFFFAOYSA-N 0 0 441.325 4.961 40 10 IJCBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(-n2c(C)ccc2C)c1 ZINC000408706573 556113539 /nfs/dbraw/zinc/11/35/39/556113539.db2.gz BSLDJTFLWNEFPB-KRWDZBQOSA-N 0 0 437.927 4.748 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000008819094 556218629 /nfs/dbraw/zinc/21/86/29/556218629.db2.gz BLLPTUXZLNMYKA-BOPFTXTBSA-N 0 0 432.954 4.579 40 10 IJCBRN CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000008819162 556218665 /nfs/dbraw/zinc/21/86/65/556218665.db2.gz FWSDWWAQCSAFRY-HKWRFOASSA-N 0 0 440.590 4.878 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)c1 ZINC000008819160 556218766 /nfs/dbraw/zinc/21/87/66/556218766.db2.gz WYGGXSIDNFQNSM-ZHZULCJRSA-N 0 0 440.590 4.932 40 10 IJCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2Cl)C1=O ZINC000008819301 556218967 /nfs/dbraw/zinc/21/89/67/556218967.db2.gz AUUAFMGYHZQCEH-ATVHPVEESA-N 0 0 432.954 4.579 40 10 IJCBRN Cc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)s1 ZINC000008819803 556219756 /nfs/dbraw/zinc/21/97/56/556219756.db2.gz LONMKIDLKVRWHG-VBKFSLOCSA-N 0 0 446.623 4.555 40 10 IJCBRN CN1C(=O)/C(=C\c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)SC1=S ZINC000008870020 556228720 /nfs/dbraw/zinc/22/87/20/556228720.db2.gz XLQLMTITGJANIB-GZTJUZNOSA-N 0 0 437.571 4.893 40 10 IJCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc21 ZINC000032111753 556530580 /nfs/dbraw/zinc/53/05/80/556530580.db2.gz WHAHOCZQRKDPAR-LPYMAVHISA-N 0 0 432.501 4.534 40 10 IJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)C2=N)S1 ZINC000033737672 556627724 /nfs/dbraw/zinc/62/77/24/556627724.db2.gz JQAKZKIPDBCITG-YNUQAMOLSA-N 0 0 435.553 4.912 40 10 IJCBRN CC(=C/c1sc2ccccc2[n+]1CCC(=O)[O-])/C=C1\Sc2ccccc2N1CCO ZINC000000848207 556721621 /nfs/dbraw/zinc/72/16/21/556721621.db2.gz CZAZYXWVYIYCNB-UHFFFAOYSA-O 0 0 439.582 4.513 40 10 IJCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C2=N)S1 ZINC000034256954 556812824 /nfs/dbraw/zinc/81/28/24/556812824.db2.gz YNEHCJMBURYDNB-ZTHFNACSSA-N 0 0 437.594 4.986 40 10 IJCBRN O=C1C(=Cc2ccc(O)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408775161 556848409 /nfs/dbraw/zinc/84/84/09/556848409.db2.gz FPJRZLXGSSEFCN-UHFFFAOYSA-N 0 0 434.904 4.794 40 10 IJCBRN CCOc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000408871483 556875025 /nfs/dbraw/zinc/87/50/25/556875025.db2.gz YKDLYFJFNFVDEP-UHFFFAOYSA-N 0 0 428.513 4.834 40 10 IJCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1C ZINC000408959527 556899577 /nfs/dbraw/zinc/89/95/77/556899577.db2.gz AKQIVAHKFHFTIO-HMAPJEAMSA-N 0 0 449.576 4.887 40 10 IJCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c(C)c1 ZINC000408959712 556899703 /nfs/dbraw/zinc/89/97/03/556899703.db2.gz DPOTYVQHMRCZQH-JCMHNJIXSA-N 0 0 449.576 4.969 40 10 IJCBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O ZINC000408959785 556899779 /nfs/dbraw/zinc/89/97/79/556899779.db2.gz FXJCBFSSSWMUPJ-QNGOZBTKSA-N 0 0 435.549 4.660 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408979213 556908804 /nfs/dbraw/zinc/90/88/04/556908804.db2.gz QBLSQLZIDGHAND-JCMHNJIXSA-N 0 0 429.472 4.731 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000409017842 556919578 /nfs/dbraw/zinc/91/95/78/556919578.db2.gz QTKLCRHKCLEJIM-PDGQHHTCSA-N 0 0 427.884 4.625 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000409021956 556922434 /nfs/dbraw/zinc/92/24/34/556922434.db2.gz AXDZDBLJCXEASO-APSNUPSMSA-N 0 0 433.247 4.779 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000409062105 556939631 /nfs/dbraw/zinc/93/96/31/556939631.db2.gz NQCWEPQUXZZZLJ-WJDWOHSUSA-N 0 0 447.409 4.600 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409066181 556941556 /nfs/dbraw/zinc/94/15/56/556941556.db2.gz HKQSXIXHIXNNAU-UCQKPKSFSA-N 0 0 441.531 4.670 40 10 IJCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000409094884 556950376 /nfs/dbraw/zinc/95/03/76/556950376.db2.gz AHWIHBIDARXKKE-MOSHPQCFSA-N 0 0 426.563 4.710 40 10 IJCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000409099078 556954326 /nfs/dbraw/zinc/95/43/26/556954326.db2.gz PZESFYAEYSTQRG-MOSHPQCFSA-N 0 0 428.941 4.722 40 10 IJCBRN O=C1[C@@H](Cc2ccccc2OCc2cccc(F)c2)SC(=S)N1Cc1cccnc1 ZINC000409147235 556973062 /nfs/dbraw/zinc/97/30/62/556973062.db2.gz XGKIAXZJVHXOPB-OAQYLSRUSA-N 0 0 438.549 4.771 40 10 IJCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)SC1=S ZINC000409143551 556975462 /nfs/dbraw/zinc/97/54/62/556975462.db2.gz CMYISLGGHTXUQQ-JAIQZWGSSA-N 0 0 441.622 4.557 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000409153835 556978868 /nfs/dbraw/zinc/97/88/68/556978868.db2.gz NNPSHZNHVOBAKG-CPNJWEJPSA-N 0 0 443.956 4.861 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 ZINC000409166852 556982484 /nfs/dbraw/zinc/98/24/84/556982484.db2.gz GVMYXAXBBFIVQA-XSFVSMFZSA-N 0 0 437.565 4.825 40 10 IJCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000409201840 557000833 /nfs/dbraw/zinc/00/08/33/557000833.db2.gz OENNDOXRZODFDF-BKUYFWCQSA-N 0 0 449.553 4.793 40 10 IJCBRN C=CCOc1cc(Br)c(/C=C2\SC(=S)N(CC)C2=O)cc1OCC ZINC000010131050 557207658 /nfs/dbraw/zinc/20/76/58/557207658.db2.gz CVRQEOSYRGUUJQ-DHDCSXOGSA-N 0 0 428.373 4.634 40 10 IJCBRN CCc1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c(Br)c1 ZINC000218865168 557218962 /nfs/dbraw/zinc/21/89/62/557218962.db2.gz YRZBXVNAHQAZRC-UHFFFAOYSA-N 0 0 431.374 4.697 40 10 IJCBRN COc1ccc(CNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000112289943 557238852 /nfs/dbraw/zinc/23/88/52/557238852.db2.gz RHDAKORMRNFELT-MOHJPFBDSA-N 0 0 427.504 4.519 40 10 IJCBRN O=[N+]([O-])c1ccccc1NCCn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1ccccc1 ZINC000101375726 557291961 /nfs/dbraw/zinc/29/19/61/557291961.db2.gz ZFKRSVCCUJMHDH-BZZOAKBMSA-N 0 0 448.504 4.881 40 10 IJCBRN O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCCO4)SC(=S)N1Cc1ccco1 ZINC000102723781 557306509 /nfs/dbraw/zinc/30/65/09/557306509.db2.gz DRAUVCTUSWGKMZ-IUXPMGMMSA-N 0 0 444.921 4.654 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Br)cc1 ZINC000222740883 557381628 /nfs/dbraw/zinc/38/16/28/557381628.db2.gz AQWJSODWXFKCKJ-VQTJNVASSA-N 0 0 441.398 4.854 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 ZINC000222855234 557394743 /nfs/dbraw/zinc/39/47/43/557394743.db2.gz FUHGZLCLDIKFTL-PKTZIBPZSA-N 0 0 448.592 4.657 40 10 IJCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 ZINC000223007607 557414789 /nfs/dbraw/zinc/41/47/89/557414789.db2.gz VGUMWXJRQJVNBZ-RPWUZVMVSA-N 0 0 434.609 4.670 40 10 IJCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCOC)c1C ZINC000223007392 557414808 /nfs/dbraw/zinc/41/48/08/557414808.db2.gz FKKAYXXUZODWNO-BJKOFHAPSA-N 0 0 434.609 4.670 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000223052909 557422033 /nfs/dbraw/zinc/42/20/33/557422033.db2.gz DLEUMFUKARRLLA-DHIUTWEWSA-N 0 0 438.572 4.637 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000223052862 557422056 /nfs/dbraw/zinc/42/20/56/557422056.db2.gz DLEUMFUKARRLLA-XZOQPEGZSA-N 0 0 438.572 4.637 40 10 IJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1Br ZINC000014414466 557445629 /nfs/dbraw/zinc/44/56/29/557445629.db2.gz OSXGCIFXYHRTON-RVAQLADHSA-N 0 0 426.310 4.883 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccn1 ZINC000223335462 557460251 /nfs/dbraw/zinc/46/02/51/557460251.db2.gz XAOFGEIQUKITGB-PKTZIBPZSA-N 0 0 429.549 4.650 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccn1 ZINC000223848078 557520297 /nfs/dbraw/zinc/52/02/97/557520297.db2.gz AKPNPOQCFIHEBK-RPWUZVMVSA-N 0 0 441.560 4.767 40 10 IJCBRN Cc1c(Br)cnc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1Cl ZINC000223950762 557533318 /nfs/dbraw/zinc/53/33/18/557533318.db2.gz BXVGTXMUYZDAOA-UHFFFAOYSA-N 0 0 439.810 4.893 40 10 IJCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(I)c1 ZINC000225026463 557679366 /nfs/dbraw/zinc/67/93/66/557679366.db2.gz FTEOXOUXXSXERJ-UHFFFAOYSA-N 0 0 434.321 4.520 40 10 IJCBRN C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000225244661 557704590 /nfs/dbraw/zinc/70/45/90/557704590.db2.gz WBWLJSTYKJQLSU-BZSPEZQHSA-N 0 0 443.547 4.918 40 10 IJCBRN Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br ZINC000225838330 557783600 /nfs/dbraw/zinc/78/36/00/557783600.db2.gz GXVNWLVDAGXKCL-HNNXBMFYSA-N 0 0 434.403 4.642 40 10 IJCBRN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000059138839 557816533 /nfs/dbraw/zinc/81/65/33/557816533.db2.gz YKSWBNJFFUTWHM-XQNSMLJCSA-N 0 0 443.503 4.501 40 10 IJCBRN CCN1C(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S ZINC000059514308 557826938 /nfs/dbraw/zinc/82/69/38/557826938.db2.gz KLODLSWQFABAOT-CXUHLZMHSA-N 0 0 431.451 4.516 40 10 IJCBRN COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260742568 557852746 /nfs/dbraw/zinc/85/27/46/557852746.db2.gz XKOJVUGTTJIGSZ-HNNXBMFYSA-N 0 0 431.989 4.850 40 10 IJCBRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2Cc2ccc(N3CCCC3)cc2C)nc1C ZINC000019765514 569238796 /nfs/dbraw/zinc/23/87/96/569238796.db2.gz IFIQBSNORKLMSW-RUZDIDTESA-N 0 0 449.643 4.903 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OC ZINC000058607919 569249563 /nfs/dbraw/zinc/24/95/63/569249563.db2.gz CLBYAZZZXXUSFC-BOPFTXTBSA-N 0 0 434.970 4.829 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000033405443 569259369 /nfs/dbraw/zinc/25/93/69/569259369.db2.gz OWAPQBJYHLRVPJ-YVLHZVERSA-N 0 0 446.286 4.657 40 10 IJCBRN CC[C@H](C)Oc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000108008181 569260677 /nfs/dbraw/zinc/26/06/77/569260677.db2.gz LYCSTFWZRKSIQT-ADVUTCEVSA-N 0 0 430.389 4.856 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O ZINC000208307371 569261195 /nfs/dbraw/zinc/26/11/95/569261195.db2.gz CGMCOKGQQLWQTO-PYLYDXJYSA-N 0 0 430.570 4.787 40 10 IJCBRN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(OC)cc2)SC1=S ZINC000002873986 569423968 /nfs/dbraw/zinc/42/39/68/569423968.db2.gz GSTGFGRFFBNAFA-HKWRFOASSA-N 0 0 429.563 4.764 40 10 IJCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N=C2SC=CN21 ZINC000041074310 569526313 /nfs/dbraw/zinc/52/63/13/569526313.db2.gz WWSJMHSAONRTSA-FZAWDKCWSA-N 0 0 431.908 4.970 40 10 IJCBRN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000041074159 569526351 /nfs/dbraw/zinc/52/63/51/569526351.db2.gz SXFFCQTVWSVDCY-PXLXIMEGSA-N 0 0 440.890 4.654 40 10 IJCBRN N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000041076281 569526412 /nfs/dbraw/zinc/52/64/12/569526412.db2.gz SBCJXZMSTIOUKS-RQLGPDLJSA-N 0 0 428.461 4.886 40 10 IJCBRN N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076731 569526523 /nfs/dbraw/zinc/52/65/23/569526523.db2.gz GKQXHUUMAGNIJY-YMGOLSLPSA-N 0 0 426.523 4.965 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4)c(Cl)c3)C(=N)N2O1 ZINC000041078469 520852378 /nfs/dbraw/zinc/85/23/78/520852378.db2.gz KQSFPKZDFYBGFU-JKGLIZDUSA-N 0 0 437.883 4.557 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)C(=N)N2O1 ZINC000041078275 520853892 /nfs/dbraw/zinc/85/38/92/520853892.db2.gz KFKOJVMDMPOKBX-LLLXPECQSA-N 0 0 426.476 4.561 40 10 IJCBRN CCc1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000012275007 521853152 /nfs/dbraw/zinc/85/31/52/521853152.db2.gz HWQZOUBFCRVYSW-NXVVXOECSA-N 0 0 445.363 4.740 40 10 IJCBRN Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1C ZINC000041108213 525911615 /nfs/dbraw/zinc/91/16/15/525911615.db2.gz GOOQHCDSIJTOJR-HHGYXRTLSA-N 0 0 443.507 4.901 40 10 IJCBRN O=C(NN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)c1ccccc1 ZINC000001416649 555695371 /nfs/dbraw/zinc/69/53/71/555695371.db2.gz JOESXZDOLQLMBA-QNGOZBTKSA-N 0 0 446.553 4.812 40 10 IJCBRN CCOc1ccc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)cc1OC ZINC000002256088 555762751 /nfs/dbraw/zinc/76/27/51/555762751.db2.gz ANDYFUHZNSOKKA-LICLKQGHSA-N 0 0 433.327 4.939 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)SC1=S ZINC000408573767 555923673 /nfs/dbraw/zinc/92/36/73/555923673.db2.gz KJXHDDCCMXVZFF-ZDLGFXPLSA-N 0 0 446.981 4.967 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408726552 556156374 /nfs/dbraw/zinc/15/63/74/556156374.db2.gz UBZHORGKFSNXEN-AQTBWJFISA-N 0 0 431.410 4.981 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)c1 ZINC000008819149 556218743 /nfs/dbraw/zinc/21/87/43/556218743.db2.gz PEMTZLUUTXHIKJ-RGEXLXHISA-N 0 0 426.563 4.624 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)c1 ZINC000008819169 556218937 /nfs/dbraw/zinc/21/89/37/556218937.db2.gz LJDKFZRWNJXNFF-PDGQHHTCSA-N 0 0 446.981 4.969 40 10 IJCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)c1 ZINC000008819170 556219018 /nfs/dbraw/zinc/21/90/18/556219018.db2.gz NQCGDFZGGZOFGG-AQTBWJFISA-N 0 0 446.981 4.969 40 10 IJCBRN Cc1csc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)n1 ZINC000008819705 556219505 /nfs/dbraw/zinc/21/95/05/556219505.db2.gz ARWWDYCAORVIAU-VBKFSLOCSA-N 0 0 431.608 4.852 40 10 IJCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCCCC3)C2=O)cc1 ZINC000008819874 556219805 /nfs/dbraw/zinc/21/98/05/556219805.db2.gz QELJSBNQYNFMRD-JZJYNLBNSA-N 0 0 446.638 4.859 40 10 IJCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N2CCC(C)CC2)C1=O ZINC000008820572 556220801 /nfs/dbraw/zinc/22/08/01/556220801.db2.gz DWWSKTWRNXLFKW-IMNZKGOKSA-N 0 0 428.623 4.873 40 10 IJCBRN CCN(CC)c1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)S2)cc1 ZINC000008821184 556221892 /nfs/dbraw/zinc/22/18/92/556221892.db2.gz QOGAEJZZTUMFGI-ZHZULCJRSA-N 0 0 441.553 4.641 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC ZINC000008821337 556222538 /nfs/dbraw/zinc/22/25/38/556222538.db2.gz AUSUOPCFIVJKTN-ODLFYWEKSA-N 0 0 431.535 4.517 40 10 IJCBRN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1 ZINC000408757299 556236812 /nfs/dbraw/zinc/23/68/12/556236812.db2.gz LUNBAYVVJZSKAB-BUVRLJJBSA-N 0 0 442.519 4.780 40 10 IJCBRN COc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000009444570 556292148 /nfs/dbraw/zinc/29/21/48/556292148.db2.gz RVYHVDUIQCKSHI-SFQUDFHCSA-N 0 0 432.954 4.579 40 10 IJCBRN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1O)N(C(C)=O)c1ccccc1-2 ZINC000015015919 556485088 /nfs/dbraw/zinc/48/50/88/556485088.db2.gz UYIRMYVAZRZQSP-QFIPXVFZSA-N 0 0 436.537 4.971 40 10 IJCBRN O=C(CSCc1ccc(Br)cc1)NCc1ccc(N2CCCCC2)cc1 ZINC000013669839 556550788 /nfs/dbraw/zinc/55/07/88/556550788.db2.gz HTVPBNISZYPRET-UHFFFAOYSA-N 0 0 433.415 4.989 40 10 IJCBRN O=C(CSCc1ccccc1Br)NCc1ccc(N2CCCCC2)cc1 ZINC000013670780 556551567 /nfs/dbraw/zinc/55/15/67/556551567.db2.gz DPXPNTRDNKTCJT-UHFFFAOYSA-N 0 0 433.415 4.989 40 10 IJCBRN O=[N+]([O-])c1ccccc1NCCn1c(-c2ccc(O)c(O)c2)csc1=Nc1ccccc1 ZINC000584906153 556662860 /nfs/dbraw/zinc/66/28/60/556662860.db2.gz ZFKRSVCCUJMHDH-UHFFFAOYSA-N 0 0 448.504 4.881 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408766206 556829845 /nfs/dbraw/zinc/82/98/45/556829845.db2.gz SMNPZOPTSSEQGV-KGENOOAVSA-N 0 0 449.304 4.998 40 10 IJCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000408876875 556876907 /nfs/dbraw/zinc/87/69/07/556876907.db2.gz RKOWKLLJGXYZOE-BKUYFWCQSA-N 0 0 449.507 4.908 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000408891857 556881471 /nfs/dbraw/zinc/88/14/71/556881471.db2.gz CYQCHUIFLZHPLT-YVLHZVERSA-N 0 0 432.303 4.875 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408893384 556881749 /nfs/dbraw/zinc/88/17/49/556881749.db2.gz NAIGJUJGERFXHE-AQTBWJFISA-N 0 0 427.884 4.625 40 10 IJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2cccc(Br)c2)C(C)=C1C(=O)OC ZINC000408988326 556910632 /nfs/dbraw/zinc/91/06/32/556910632.db2.gz QMGSBCIOTOQTDF-PDGQHHTCSA-N 0 0 442.309 4.725 40 10 IJCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC000409002628 556915085 /nfs/dbraw/zinc/91/50/85/556915085.db2.gz OSXORZRJVPYRRP-VBCQVUSKSA-N 0 0 444.491 4.813 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409009530 556917483 /nfs/dbraw/zinc/91/74/83/556917483.db2.gz ATUGTJSEUBWUDR-DZBQEORWSA-N 0 0 432.929 4.735 40 10 IJCBRN CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000409032164 556927153 /nfs/dbraw/zinc/92/71/53/556927153.db2.gz LATZMSJEWCVZMY-ZSOIEALJSA-N 0 0 430.389 4.714 40 10 IJCBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1O ZINC000409033021 556927440 /nfs/dbraw/zinc/92/74/40/556927440.db2.gz KEIBVTIHEXXZRK-RUDMXATFSA-N 0 0 446.759 4.946 40 10 IJCBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 ZINC000409067005 556942143 /nfs/dbraw/zinc/94/21/43/556942143.db2.gz NGGQKUDXCMTKOZ-QNGOZBTKSA-N 0 0 426.513 4.850 40 10 IJCBRN O=C1[C@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccco1 ZINC000409143798 556975723 /nfs/dbraw/zinc/97/57/23/556975723.db2.gz IBCHQSJKXCIVFW-FQEVSTJZSA-N 0 0 427.522 4.969 40 10 IJCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000409173131 556984329 /nfs/dbraw/zinc/98/43/29/556984329.db2.gz KIQOZFSCFGRRCD-FYJGNVAPSA-N 0 0 449.894 4.631 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409196066 556994192 /nfs/dbraw/zinc/99/41/92/556994192.db2.gz YPVOMPIBDBWJQR-FYJGNVAPSA-N 0 0 448.504 4.676 40 10 IJCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000409197274 556994741 /nfs/dbraw/zinc/99/47/41/556994741.db2.gz AIWCBFIUVNHIGX-WOJGMQOQSA-N 0 0 425.491 4.811 40 10 IJCBRN CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 ZINC000409234170 557025542 /nfs/dbraw/zinc/02/55/42/557025542.db2.gz MWAABJBDAWQOHS-BUVRLJJBSA-N 0 0 429.520 4.894 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(OCC)c1 ZINC000409330701 557064934 /nfs/dbraw/zinc/06/49/34/557064934.db2.gz LDWISGOWZBFBOV-DEDYPNTBSA-N 0 0 428.579 4.956 40 10 IJCBRN O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(F)c1 ZINC000409339943 557067596 /nfs/dbraw/zinc/06/75/96/557067596.db2.gz NDFHUEVQTCFNBP-UNOMPAQXSA-N 0 0 439.493 4.990 40 10 IJCBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1 ZINC000409344027 557071183 /nfs/dbraw/zinc/07/11/83/557071183.db2.gz JOHXLFZPNYLVHF-KGENOOAVSA-N 0 0 435.549 4.579 40 10 IJCBRN O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1C1CCCCC1 ZINC000409352007 557079317 /nfs/dbraw/zinc/07/93/17/557079317.db2.gz VLQFAJSIHUZRQN-UYRXBGFRSA-N 0 0 427.551 4.979 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 ZINC000409352881 557080019 /nfs/dbraw/zinc/08/00/19/557080019.db2.gz FJDRMCHCFARBNQ-KGENOOAVSA-N 0 0 437.565 4.825 40 10 IJCBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409392118 557096525 /nfs/dbraw/zinc/09/65/25/557096525.db2.gz LFHFYCLYYGXRCF-OYKKKHCWSA-N 0 0 442.588 4.547 40 10 IJCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 ZINC000103918551 557140373 /nfs/dbraw/zinc/14/03/73/557140373.db2.gz MVKIAMPNRZKSDS-JLPGSUDCSA-N 0 0 434.515 4.925 40 10 IJCBRN CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000106691582 557157641 /nfs/dbraw/zinc/15/76/41/557157641.db2.gz HURAOKRIDRNUHL-YVLHZVERSA-N 0 0 435.318 4.891 40 10 IJCBRN COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OCc3ccccc3)CC2)cc1 ZINC000219763164 557267549 /nfs/dbraw/zinc/26/75/49/557267549.db2.gz KIEXRPFKMRQNGY-UHFFFAOYSA-N 0 0 436.939 4.890 40 10 IJCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 ZINC000222677745 557372984 /nfs/dbraw/zinc/37/29/84/557372984.db2.gz RVVKQOJVLKTLKU-PBNUPURSSA-N 0 0 438.597 4.678 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222834895 557391495 /nfs/dbraw/zinc/39/14/95/557391495.db2.gz OHAFFYZKXIAQQR-PKTZIBPZSA-N 0 0 434.565 4.599 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000222880198 557397285 /nfs/dbraw/zinc/39/72/85/557397285.db2.gz LKKAFUHYHSXVNO-XZOQPEGZSA-N 0 0 434.565 4.600 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000014414299 557445350 /nfs/dbraw/zinc/44/53/50/557445350.db2.gz YLHMPTGEMMNAEW-HAHDFKILSA-N 0 0 426.472 4.747 40 10 IJCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1ccccc1 ZINC000223517802 557481566 /nfs/dbraw/zinc/48/15/66/557481566.db2.gz PAEJXSGLQDEGLL-BJKOFHAPSA-N 0 0 425.561 4.748 40 10 IJCBRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000224018227 557545414 /nfs/dbraw/zinc/54/54/14/557545414.db2.gz ARFIZCKQHOXLFX-ULJHMMPZSA-N 0 0 445.588 4.744 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1 ZINC000224594978 557628644 /nfs/dbraw/zinc/62/86/44/557628644.db2.gz LCGPOQFBGQNKIT-BJKOFHAPSA-N 0 0 441.560 4.767 40 10 IJCBRN COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000225982673 557798964 /nfs/dbraw/zinc/79/89/64/557798964.db2.gz RMVGBTFHMWKUFV-UHFFFAOYSA-N 0 0 436.943 4.913 40 10 IJCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000059138853 557816527 /nfs/dbraw/zinc/81/65/27/557816527.db2.gz OATBCNATVZYGFH-PXLXIMEGSA-N 0 0 427.504 4.720 40 10 IJCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000059435797 557820964 /nfs/dbraw/zinc/82/09/64/557820964.db2.gz FDBVIIYSEPZMRX-PDGQHHTCSA-N 0 0 446.330 4.917 40 10 IJCBRN Cc1ccc(N2C(=O)C(=Cc3ccccc3O)C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000059484933 557825516 /nfs/dbraw/zinc/82/55/16/557825516.db2.gz VXSKAJCQJMNBHZ-UHFFFAOYSA-N 0 0 428.513 4.757 40 10 IJCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)cc21 ZINC000260924096 568629934 /nfs/dbraw/zinc/62/99/34/568629934.db2.gz RROLVNUBDYGXOQ-CTUHWIOQSA-N 0 0 448.636 4.865 40 10 IJCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)SC1=S ZINC000108984657 569260946 /nfs/dbraw/zinc/26/09/46/569260946.db2.gz YSDVZJMOBMCDDI-NDENLUEZSA-N 0 0 435.574 4.810 40 10 IJCBRN CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)SC1=S ZINC000408577240 555927947 /nfs/dbraw/zinc/92/79/47/555927947.db2.gz SBCVNHUGSUFHFX-WQRHYEAKSA-N 0 0 446.981 4.967 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408585773 555936610 /nfs/dbraw/zinc/93/66/10/555936610.db2.gz IHDICJSZUVEVTJ-YBEGLDIGSA-N 0 0 448.700 4.685 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408588407 555939800 /nfs/dbraw/zinc/93/98/00/555939800.db2.gz WBFWPVBSFHNWSD-YBEGLDIGSA-N 0 0 433.247 4.779 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(C)=C2C(=O)OC)cc1OC ZINC000408589021 555942418 /nfs/dbraw/zinc/94/24/18/555942418.db2.gz XXGPMBXGRLIEKN-VBKFSLOCSA-N 0 0 427.884 4.625 40 10 IJCBRN CCCCS(=O)(=O)c1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)ccc1C ZINC000004830758 556013988 /nfs/dbraw/zinc/01/39/88/556013988.db2.gz SOTNWEUZNKFXGN-UHFFFAOYSA-N 0 0 449.528 4.793 40 10 IJCBRN CN(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3Br)C2=O)cc1 ZINC000408719775 556146069 /nfs/dbraw/zinc/14/60/69/556146069.db2.gz RQJOTIGTGHHCPG-LFIBNONCSA-N 0 0 447.379 4.557 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000008819088 556218722 /nfs/dbraw/zinc/21/87/22/556218722.db2.gz VIGWPAHIPQFNEG-XDHOZWIPSA-N 0 0 426.563 4.542 40 10 IJCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000008820375 556220447 /nfs/dbraw/zinc/22/04/47/556220447.db2.gz FRFJXTQXWKYPGJ-FJASIERCSA-N 0 0 438.618 4.529 40 10 IJCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 ZINC000008821860 556223917 /nfs/dbraw/zinc/22/39/17/556223917.db2.gz ZJOLOYYAXJDCMT-UDWIEESQSA-N 0 0 448.460 4.896 40 10 IJCBRN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000011565584 556341882 /nfs/dbraw/zinc/34/18/82/556341882.db2.gz MFCBUJHFFOSCLI-NVNXTCNLSA-N 0 0 439.345 4.548 40 10 IJCBRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccc(OC)c2O)cc1 ZINC000019325940 556736529 /nfs/dbraw/zinc/73/65/29/556736529.db2.gz YJVSJZUFVQDFPT-UHFFFAOYSA-N 0 0 448.563 4.825 40 10 IJCBRN CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000000929905 556755759 /nfs/dbraw/zinc/75/57/59/556755759.db2.gz GRTCOMUJWWZEGJ-NRFANRHFSA-N 0 0 436.581 4.526 40 10 IJCBRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000001346155 556779683 /nfs/dbraw/zinc/77/96/83/556779683.db2.gz UQDUVIVBPKCGAL-UHFFFAOYSA-N 0 0 442.884 4.784 40 10 IJCBRN COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C)c1C ZINC000004215971 556820856 /nfs/dbraw/zinc/82/08/56/556820856.db2.gz XKWIVRVFHYIAHX-UHFFFAOYSA-N 0 0 425.554 4.553 40 10 IJCBRN CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 ZINC000408821576 556866207 /nfs/dbraw/zinc/86/62/07/556866207.db2.gz JBGBASQBSNQPPM-UHFFFAOYSA-N 0 0 445.544 4.874 40 10 IJCBRN CCOC(=O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 ZINC000408972148 556903078 /nfs/dbraw/zinc/90/30/78/556903078.db2.gz SUDOYNLYJJKXQV-PDGQHHTCSA-N 0 0 441.409 4.553 40 10 IJCBRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2)nc1C ZINC000019765600 556910225 /nfs/dbraw/zinc/91/02/25/556910225.db2.gz WUPXMNWSOWTZPL-RUZDIDTESA-N 0 0 449.643 4.985 40 10 IJCBRN CCOc1cc(OC)c(/C=C2\SC(=S)N(CC)C2=O)cc1C(=O)c1ccccc1 ZINC000409007343 556916531 /nfs/dbraw/zinc/91/65/31/556916531.db2.gz PLVDDUAIIAAVPV-UNOMPAQXSA-N 0 0 427.547 4.546 40 10 IJCBRN CCN1C(=O)/C(=C\c2cc(C)n(C(C)C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409011620 556918143 /nfs/dbraw/zinc/91/81/43/556918143.db2.gz NYLBOVXEHMWQEP-XDHOZWIPSA-N 0 0 429.973 4.903 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000409013356 556918918 /nfs/dbraw/zinc/91/89/18/556918918.db2.gz URMQMDALXPAMCG-RONKMWSCSA-N 0 0 426.538 4.699 40 10 IJCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)ccc1O ZINC000409018855 556923763 /nfs/dbraw/zinc/92/37/63/556923763.db2.gz VYMTZGWDVAXHCG-YVLHZVERSA-N 0 0 427.884 4.630 40 10 IJCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409061015 556943118 /nfs/dbraw/zinc/94/31/18/556943118.db2.gz BLZQRCVXSBJLDX-XKZIYDEJSA-N 0 0 434.467 4.699 40 10 IJCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409095626 556952924 /nfs/dbraw/zinc/95/29/24/556952924.db2.gz IDRFFYOORUFOHU-YBFXNURJSA-N 0 0 426.538 4.699 40 10 IJCBRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c1 ZINC000409098902 556954376 /nfs/dbraw/zinc/95/43/76/556954376.db2.gz RHZXSJAPEAAZPU-YBFXNURJSA-N 0 0 435.505 4.879 40 10 IJCBRN O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S)c1ccccc1 ZINC000409179969 556987726 /nfs/dbraw/zinc/98/77/26/556987726.db2.gz RDTRIGMWFZIHCZ-LGMDPLHJSA-N 0 0 438.555 4.977 40 10 IJCBRN CCc1ccc(N2C(=O)/C(=C\c3ccccc3Br)C(C(=O)OC)=C2C)cc1 ZINC000409243371 557033185 /nfs/dbraw/zinc/03/31/85/557033185.db2.gz VXWBLPSFYRMSJQ-AQTBWJFISA-N 0 0 426.310 4.889 40 10 IJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)C ZINC000409335248 557072494 /nfs/dbraw/zinc/07/24/94/557072494.db2.gz ZTCKKPNPPVOEHN-WOJGMQOQSA-N 0 0 430.507 4.796 40 10 IJCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409338840 557073730 /nfs/dbraw/zinc/07/37/30/557073730.db2.gz BYZUKTBSRGLRLH-WOJGMQOQSA-N 0 0 430.507 4.798 40 10 IJCBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1 ZINC000409354354 557080868 /nfs/dbraw/zinc/08/08/68/557080868.db2.gz CXGPUEUQLWDWGR-KGENOOAVSA-N 0 0 435.549 4.579 40 10 IJCBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)SC1=S ZINC000409356939 557084545 /nfs/dbraw/zinc/08/45/45/557084545.db2.gz HMGFRNJYCVJMIK-XDHOZWIPSA-N 0 0 426.563 4.542 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O ZINC000208451587 557087679 /nfs/dbraw/zinc/08/76/79/557087679.db2.gz LFDWWBHSAATEJT-SKCQWOFPSA-N 0 0 428.554 4.615 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1cccc(Br)c1 ZINC000409367140 557088107 /nfs/dbraw/zinc/08/81/07/557088107.db2.gz GXBWWJUTWIVESK-ODLFYWEKSA-N 0 0 440.293 4.529 40 10 IJCBRN CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2C(C)=CC1(C)C ZINC000208513456 557093214 /nfs/dbraw/zinc/09/32/14/557093214.db2.gz TWUBGKADHNILON-YBFXNURJSA-N 0 0 428.554 4.696 40 10 IJCBRN C[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000218318196 557192825 /nfs/dbraw/zinc/19/28/25/557192825.db2.gz BWJAKTJSCDEZLW-LJQANCHMSA-N 0 0 427.548 4.914 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2ccc(F)cc2)cc1 ZINC000112293131 557239329 /nfs/dbraw/zinc/23/93/29/557239329.db2.gz CWQYLUGRFAYBOP-KQWNVCNZSA-N 0 0 433.458 4.788 40 10 IJCBRN CC(=O)[C@H](N=Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C)cc1C ZINC000104096259 557320383 /nfs/dbraw/zinc/32/03/83/557320383.db2.gz JIEHDYTVRRRIEM-XHWLHZJSSA-N 0 0 439.471 4.759 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000223051185 557421536 /nfs/dbraw/zinc/42/15/36/557421536.db2.gz OFVWMDZRXMZGSJ-ZEQRLZLVSA-N 0 0 434.609 4.807 40 10 IJCBRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000223168844 557441042 /nfs/dbraw/zinc/44/10/42/557441042.db2.gz AWCVFXDLJVLCLC-BWAHOGKJSA-N 0 0 443.547 4.666 40 10 IJCBRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(F)c1 ZINC000014406684 557443859 /nfs/dbraw/zinc/44/38/59/557443859.db2.gz DJJAQPTUMDKPJP-PDGQHHTCSA-N 0 0 430.273 4.856 40 10 IJCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1OC ZINC000014406713 557443875 /nfs/dbraw/zinc/44/38/75/557443875.db2.gz PNBSJNCQSVEWHU-WQRHYEAKSA-N 0 0 427.884 4.625 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000223307146 557457538 /nfs/dbraw/zinc/45/75/38/557457538.db2.gz XHXUELQOWWUDDA-AMDXRBSFSA-N 0 0 446.620 4.949 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cc(C)ccn1 ZINC000223353229 557461310 /nfs/dbraw/zinc/46/13/10/557461310.db2.gz WDRWRRDLRZBPPQ-ZEQRLZLVSA-N 0 0 443.576 4.958 40 10 IJCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2ccccc2OC)cc1 ZINC000017095423 557486351 /nfs/dbraw/zinc/48/63/51/557486351.db2.gz HHYODJLDCKPWSG-MOHJPFBDSA-N 0 0 427.504 4.519 40 10 IJCBRN Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br ZINC000225838350 557783572 /nfs/dbraw/zinc/78/35/72/557783572.db2.gz GXVNWLVDAGXKCL-OAHLLOKOSA-N 0 0 434.403 4.642 40 10 IJCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1c(C)cccc1C ZINC000041076764 557805859 /nfs/dbraw/zinc/80/58/59/557805859.db2.gz OMTUOKPPMFEGKE-JLFKZYKSSA-N 0 0 443.532 4.971 40 10 IJCBRN CC1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)C(=O)O1 ZINC000059488628 557825732 /nfs/dbraw/zinc/82/57/32/557825732.db2.gz WOVXRUMFQVJEDI-UHFFFAOYSA-N 0 0 442.474 4.575 40 10 IJCBRN CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1[N+](=O)[O-] ZINC000059489879 557826047 /nfs/dbraw/zinc/82/60/47/557826047.db2.gz GWJLXCILGDJWNH-UHFFFAOYSA-N 0 0 444.528 4.857 40 10 IJCBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC2(CCCCC2)OC1=O ZINC000059489872 557826098 /nfs/dbraw/zinc/82/60/98/557826098.db2.gz LPADPDNCPXHGOR-KRWDZBQOSA-N 0 0 428.485 4.508 40 10 IJCBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2cc(C)cc(C)c2)SC1=S ZINC000256055858 568663469 /nfs/dbraw/zinc/66/34/69/568663469.db2.gz WKSFCLOOSYBLSL-HZQOKBKYSA-N 0 0 440.590 4.591 40 10 IJCBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cc([N+](=O)[O-])ccc3C)C2=N)S1 ZINC000041082844 519917449 /nfs/dbraw/zinc/91/74/49/519917449.db2.gz KYNPKMLDDLTSDK-JTKJEDPUSA-N 0 0 436.497 4.503 40 10 IJCBRN CCc1ccc(OCCOc2c(/C=C3\SC(=S)N(CC)C3=O)cccc2OC)cc1 ZINC000041108603 524007321 /nfs/dbraw/zinc/00/73/21/524007321.db2.gz NNNLZADTFZMWEY-HKWRFOASSA-N 0 0 443.590 4.937 40 10 IJCBRN N=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000033934374 526837353 /nfs/dbraw/zinc/83/73/53/526837353.db2.gz MZSKGWKWNDXZEF-ZCRFMAPOSA-N 0 0 448.401 4.586 40 10 IJCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1O ZINC000001181027 555671696 /nfs/dbraw/zinc/67/16/96/555671696.db2.gz WZFIGQOSCYOQSW-SFQUDFHCSA-N 0 0 432.954 4.666 40 10 IJCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 ZINC000001183105 555672859 /nfs/dbraw/zinc/67/28/59/555672859.db2.gz KYJNZPJCXIFMCS-LICLKQGHSA-N 0 0 432.954 4.584 40 10 IJCBRN COc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(C)cc2)cc1 ZINC000001287774 555689068 /nfs/dbraw/zinc/68/90/68/555689068.db2.gz WRZAUGSEPDQHMJ-UHFFFAOYSA-N 0 0 447.516 4.638 40 10 IJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=N)S1 ZINC000034793435 555916876 /nfs/dbraw/zinc/91/68/76/555916876.db2.gz BTXCFAYDJBRHQJ-FREPTNQOSA-N 0 0 443.985 4.996 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408583777 555930942 /nfs/dbraw/zinc/93/09/42/555930942.db2.gz KADJJNSHUWKGBV-YVLHZVERSA-N 0 0 444.896 4.847 40 10 IJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c1 ZINC000408646037 556022061 /nfs/dbraw/zinc/02/20/61/556022061.db2.gz NJLHEYDSUBGMKN-UHFFFAOYSA-N 0 0 427.298 4.652 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000008819087 556218637 /nfs/dbraw/zinc/21/86/37/556218637.db2.gz WYUOXECMUNNIBV-UNOMPAQXSA-N 0 0 426.563 4.542 40 10 IJCBRN CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000008820474 556220495 /nfs/dbraw/zinc/22/04/95/556220495.db2.gz LLFUJFSEAYMXSG-DKDWZUBTSA-N 0 0 436.602 4.883 40 10 IJCBRN O=C1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)SC(=S)N1C1CCCCC1 ZINC000008870028 556228632 /nfs/dbraw/zinc/22/86/32/556228632.db2.gz KGKYPDKIZGYHFC-BUHFOSPRSA-N 0 0 426.654 4.584 40 10 IJCBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000408756828 556236884 /nfs/dbraw/zinc/23/68/84/556236884.db2.gz JXYPYCUSKSIEHM-LPYMAVHISA-N 0 0 429.480 4.820 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2F)cc1 ZINC000408756463 556239411 /nfs/dbraw/zinc/23/94/11/556239411.db2.gz VJKMORPZYALTOC-KGENOOAVSA-N 0 0 432.451 4.686 40 10 IJCBRN Cc1cc(Br)c2c(c1NC(=O)c1cccs1)C(=O)c1ccccc1C2=O ZINC000016268846 556596012 /nfs/dbraw/zinc/59/60/12/556596012.db2.gz SCGQTVFIQSLBJY-UHFFFAOYSA-N 0 0 426.291 4.847 40 10 IJCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)C1=S ZINC000016362880 556603162 /nfs/dbraw/zinc/60/31/62/556603162.db2.gz NBVHLTQMPUIRNU-OQKWZONESA-N 0 0 441.556 4.809 40 10 IJCBRN Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000000875380 556728794 /nfs/dbraw/zinc/72/87/94/556728794.db2.gz WEWLLQWYKFDWEQ-UHFFFAOYSA-N 0 0 449.551 4.954 40 10 IJCBRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc2c1 ZINC000000875389 556728803 /nfs/dbraw/zinc/72/88/03/556728803.db2.gz YALJKRQYPAQHSV-UHFFFAOYSA-N 0 0 431.561 4.815 40 10 IJCBRN COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)c(OC)c1 ZINC000000924746 556752352 /nfs/dbraw/zinc/75/23/52/556752352.db2.gz DOYTXDYLYSROHW-UHFFFAOYSA-N 0 0 449.532 4.939 40 10 IJCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1nc2ccccc2s1 ZINC000002483399 556800115 /nfs/dbraw/zinc/80/01/15/556800115.db2.gz HIXLVZXSRVASKJ-UHFFFAOYSA-N 0 0 435.490 4.732 40 10 IJCBRN COc1ccccc1C(=O)NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000008765662 556845963 /nfs/dbraw/zinc/84/59/63/556845963.db2.gz AJEWQVBIUIMVOV-DHDCSXOGSA-N 0 0 439.345 4.548 40 10 IJCBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)cc1 ZINC000408788676 556856008 /nfs/dbraw/zinc/85/60/08/556856008.db2.gz FXWDQDRUPXYXKN-SQWSFHKJSA-N 0 0 432.387 4.677 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408841712 556867706 /nfs/dbraw/zinc/86/77/06/556867706.db2.gz JXMYFMZLYIBNHN-RCCKNPSSSA-N 0 0 428.488 4.855 40 10 IJCBRN COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408841773 556867722 /nfs/dbraw/zinc/86/77/22/556867722.db2.gz LFEFXAIQFUYNOT-KGENOOAVSA-N 0 0 449.304 4.998 40 10 IJCBRN COc1cc(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OC ZINC000408902227 556885038 /nfs/dbraw/zinc/88/50/38/556885038.db2.gz MGNFDXAECJRGTN-OQLLNIDSSA-N 0 0 436.352 4.872 40 10 IJCBRN O=C1/C(=C\c2cccc(I)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971154 556904391 /nfs/dbraw/zinc/90/43/91/556904391.db2.gz NAJNPNWENJGDFS-UVTDQMKNSA-N 0 0 442.178 4.640 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(OC)cc2)cc1 ZINC000409000009 556914112 /nfs/dbraw/zinc/91/41/12/556914112.db2.gz MCCYSFYFSIJPDK-HAVVHWLPSA-N 0 0 428.488 4.937 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000409022702 556923010 /nfs/dbraw/zinc/92/30/10/556923010.db2.gz PUPSHYQLIFHXGB-SOFYXZRVSA-N 0 0 434.275 4.585 40 10 IJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000409023848 556923740 /nfs/dbraw/zinc/92/37/40/556923740.db2.gz KJSVFRABVUWMHE-APSNUPSMSA-N 0 0 434.275 4.585 40 10 IJCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O ZINC000409020200 556924340 /nfs/dbraw/zinc/92/43/40/556924340.db2.gz MQEXXBACMSDKKN-NJDFMEINSA-N 0 0 429.498 4.846 40 10 IJCBRN COc1cc(OC)c(C(=O)c2ccccc2)cc1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000409039037 556928033 /nfs/dbraw/zinc/92/80/33/556928033.db2.gz VZGVKVFFUHFALG-JAIQZWGSSA-N 0 0 441.574 4.792 40 10 IJCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O ZINC000409089419 556951363 /nfs/dbraw/zinc/95/13/63/556951363.db2.gz NONQSSNVONACLP-RMNBPEERSA-N 0 0 432.929 4.654 40 10 IJCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)NC1=S ZINC000409129067 556966744 /nfs/dbraw/zinc/96/67/44/556966744.db2.gz JXSQPKURRCPAOR-HAHDFKILSA-N 0 0 447.560 4.973 40 10 IJCBRN O=C(NC1=NC(=O)/C(=C/c2ccccc2OCc2ccccc2F)S1)c1ccccc1 ZINC000409138301 556970673 /nfs/dbraw/zinc/97/06/73/556970673.db2.gz ZRFLQAGJGJAUON-STZFKDTASA-N 0 0 432.476 4.805 40 10 IJCBRN COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(C)c3)o2)SC1=S ZINC000409140939 556972129 /nfs/dbraw/zinc/97/21/29/556972129.db2.gz FTPAPTWICSVNMU-YBEGLDIGSA-N 0 0 438.368 4.865 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000409181627 556989631 /nfs/dbraw/zinc/98/96/31/556989631.db2.gz DJDDNKXAYPDPDO-KGENOOAVSA-N 0 0 437.565 4.825 40 10 IJCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000409200543 556999834 /nfs/dbraw/zinc/99/98/34/556999834.db2.gz IBLGVLMHUYMTOV-AUWJEWJLSA-N 0 0 428.318 4.628 40 10 IJCBRN CCc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(C(=O)OC)=C2C)cc1 ZINC000409228057 557014967 /nfs/dbraw/zinc/01/49/67/557014967.db2.gz SWXMYLJOBDYZMA-UYRXBGFRSA-N 0 0 426.310 4.889 40 10 IJCBRN CCc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)C(C(=O)OC)=C2C)cc1 ZINC000409228535 557015286 /nfs/dbraw/zinc/01/52/86/557015286.db2.gz BHIRICLHHGFCNE-UYRXBGFRSA-N 0 0 426.310 4.889 40 10 IJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O ZINC000409326862 557061655 /nfs/dbraw/zinc/06/16/55/557061655.db2.gz FMHBOHUEWLVNKE-APSNUPSMSA-N 0 0 435.910 4.579 40 10 IJCBRN CCOc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1Br ZINC000409332820 557066106 /nfs/dbraw/zinc/06/61/06/557066106.db2.gz RKWZBRIPIXRUSO-YBEGLDIGSA-N 0 0 437.384 4.804 40 10 IJCBRN CCOc1cccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 ZINC000409339699 557067549 /nfs/dbraw/zinc/06/75/49/557067549.db2.gz KTUNRDIGJYOYJY-GRSHGNNSSA-N 0 0 442.606 4.534 40 10 IJCBRN CCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000409342277 557069919 /nfs/dbraw/zinc/06/99/19/557069919.db2.gz BCBHVOQYNAFKDA-YBFXNURJSA-N 0 0 439.537 4.640 40 10 IJCBRN CCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S ZINC000409343106 557070613 /nfs/dbraw/zinc/07/06/13/557070613.db2.gz DJKSORZLQHBYLS-YVLHZVERSA-N 0 0 445.478 4.907 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)SC2=S)cc1Cl ZINC000409381055 557090874 /nfs/dbraw/zinc/09/08/74/557090874.db2.gz DGIISYHFFGKABS-IUXPMGMMSA-N 0 0 429.906 4.861 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O ZINC000208520520 557093541 /nfs/dbraw/zinc/09/35/41/557093541.db2.gz GXXKNLPSASWXJM-YBFXNURJSA-N 0 0 428.554 4.616 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccccc1Br ZINC000409378209 557093620 /nfs/dbraw/zinc/09/36/20/557093620.db2.gz NIFJJJOMIFSWCO-PDGQHHTCSA-N 0 0 440.293 4.529 40 10 IJCBRN CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000040939834 557256931 /nfs/dbraw/zinc/25/69/31/557256931.db2.gz QFIXGGQGTCJALC-XSFVSMFZSA-N 0 0 434.542 4.785 40 10 IJCBRN O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1Cc1ccco1 ZINC000102726585 557306486 /nfs/dbraw/zinc/30/64/86/557306486.db2.gz QYODKRSBQKAGJN-SOFYXZRVSA-N 0 0 430.894 4.611 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222619112 557362906 /nfs/dbraw/zinc/36/29/06/557362906.db2.gz SSPPVKGTRINDQQ-MPMWTEJESA-N 0 0 432.549 4.807 40 10 IJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C ZINC000222776695 557385851 /nfs/dbraw/zinc/38/58/51/557385851.db2.gz CCDVCWMDPFCTOX-SFTDATJTSA-N 0 0 426.973 4.841 40 10 IJCBRN COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(N3CCCCC3)cc1)CCCC2 ZINC000222819262 557390097 /nfs/dbraw/zinc/39/00/97/557390097.db2.gz PJDNMFQCGKREGT-GOSISDBHSA-N 0 0 428.598 4.604 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222835010 557391551 /nfs/dbraw/zinc/39/15/51/557391551.db2.gz OHAFFYZKXIAQQR-GOTSBHOMSA-N 0 0 434.565 4.599 40 10 IJCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 ZINC000222854881 557394675 /nfs/dbraw/zinc/39/46/75/557394675.db2.gz ZRHQXHHOINDEPY-GOTSBHOMSA-N 0 0 448.592 4.657 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000222900625 557400687 /nfs/dbraw/zinc/40/06/87/557400687.db2.gz MZALTKPRTRRYOU-PKTZIBPZSA-N 0 0 448.592 4.658 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000222900689 557400702 /nfs/dbraw/zinc/40/07/02/557400702.db2.gz MZALTKPRTRRYOU-XZOQPEGZSA-N 0 0 448.592 4.658 40 10 IJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222925339 557403839 /nfs/dbraw/zinc/40/38/39/557403839.db2.gz AFQNFOYRFJBNIA-ZEQRLZLVSA-N 0 0 448.592 4.846 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000223009281 557415070 /nfs/dbraw/zinc/41/50/70/557415070.db2.gz LREXXCJUHPAWMS-FCHUYYIVSA-N 0 0 441.000 4.761 40 10 IJCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000223052497 557421907 /nfs/dbraw/zinc/42/19/07/557421907.db2.gz XOCCINZZQVYXQE-GOTSBHOMSA-N 0 0 438.572 4.637 40 10 IJCBRN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1Cl ZINC000103604815 557439879 /nfs/dbraw/zinc/43/98/79/557439879.db2.gz DHQNWBXXLQVYDG-KZFMJZFPSA-N 0 0 426.929 4.923 40 10 IJCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCc2ccc(F)cc2)cc1 ZINC000017096490 557476618 /nfs/dbraw/zinc/47/66/18/557476618.db2.gz DLXQXVOEQCAKKY-MOHJPFBDSA-N 0 0 429.495 4.692 40 10 IJCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1ccccc1 ZINC000223479917 557477162 /nfs/dbraw/zinc/47/71/62/557477162.db2.gz VBYDZDAKRWBBLT-DNQXCXABSA-N 0 0 425.561 4.748 40 10 IJCBRN CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223538013 557483327 /nfs/dbraw/zinc/48/33/27/557483327.db2.gz YIMXVNWNDVPGNR-BKQORJHRSA-N 0 0 430.570 4.787 40 10 IJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1c(C)cc(C)cc1C ZINC000223621198 557493058 /nfs/dbraw/zinc/49/30/58/557493058.db2.gz ROEZGOZHSOLMRZ-NOZRDPDXSA-N 0 0 448.636 4.769 40 10 IJCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cc(OC)ccc2OC)cc1 ZINC000019638243 557503158 /nfs/dbraw/zinc/50/31/58/557503158.db2.gz JJFMVHQDHHUVCJ-ULJHMMPZSA-N 0 0 443.503 4.849 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCc2ccc(F)cc2)cc1 ZINC000019645896 557504879 /nfs/dbraw/zinc/50/48/79/557504879.db2.gz LADIRIYFOVLIQW-ULJHMMPZSA-N 0 0 447.485 4.831 40 10 IJCBRN C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCC2)cc1 ZINC000225696758 557765725 /nfs/dbraw/zinc/76/57/25/557765725.db2.gz ABWOBXNTUHJYPV-IBGZPJMESA-N 0 0 436.625 4.961 40 10 IJCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000059138719 557816329 /nfs/dbraw/zinc/81/63/29/557816329.db2.gz UJBIVVJRSVRPJP-HZHRSRAPSA-N 0 0 427.504 4.720 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000059435705 557820626 /nfs/dbraw/zinc/82/06/26/557820626.db2.gz YFQCYTHQOHMTKE-BOPFTXTBSA-N 0 0 432.701 4.980 40 10 IJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000260922639 568629881 /nfs/dbraw/zinc/62/98/81/568629881.db2.gz QYQCLLDXXNESFO-FGCOXFRFSA-N 0 0 432.593 4.641 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1 ZINC000026743579 568915999 /nfs/dbraw/zinc/91/59/99/568915999.db2.gz LDYIOSSLTAHBIG-ATVHPVEESA-N 0 0 435.954 4.637 40 10 IJCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 ZINC000040006335 569260355 /nfs/dbraw/zinc/26/03/55/569260355.db2.gz OGTMJLFVOOFQTA-GAASDFDMSA-N 0 0 425.575 4.954 40 10 IJCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 ZINC000008821578 569477121 /nfs/dbraw/zinc/47/71/21/569477121.db2.gz DORLYAZPFPVNMT-ATVHPVEESA-N 0 0 434.380 4.902 40 10 IJCBRN COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4O)C=C3C)[nH]c2n1 ZINC000072320902 291391839 /nfs/dbraw/zinc/39/18/39/291391839.db2.gz GNANSXYTAJFDKZ-ACRUOGEOSA-N 0 0 434.584 4.859 40 10 biogenic,in-vitro IJCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000008821889 132295047 /nfs/dbraw/zinc/29/50/47/132295047.db2.gz MCAPBUVHBNNBAN-WQRHYEAKSA-N 0 0 436.339 4.925 40 10 IJCBRN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1c(Cl)cccc1Cl ZINC000009189279 132307928 /nfs/dbraw/zinc/30/79/28/132307928.db2.gz CYUTURLRTATVBY-PDGQHHTCSA-N 0 0 436.339 4.925 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)c(C)c4)cc3)C(=N)N2O1 ZINC000041082670 520852305 /nfs/dbraw/zinc/85/23/05/520852305.db2.gz YNLKODCAAGEKCH-MUJYFGONSA-N 0 0 431.492 4.602 40 10 IJCBRN COCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cccc(OC)c1 ZINC000012474205 522051619 /nfs/dbraw/zinc/05/16/19/522051619.db2.gz ZENPOEXDCJAQGK-UHFFFAOYSA-N 0 0 431.945 4.589 40 10 IJCBRN COc1ccc(C=C2SC(=S)N(N=c3[nH]c4ccccc4s3)C2=O)cc1OC ZINC000014904665 523426425 /nfs/dbraw/zinc/42/64/25/523426425.db2.gz MMYPSDDPTVAIIH-YBEGLDIGSA-N 0 0 429.548 4.542 40 10 IJCBRN Cc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(c3ccc(F)cc3)SC2=NC1=O ZINC000041108220 524242293 /nfs/dbraw/zinc/24/22/93/524242293.db2.gz GFZACOUPCAOJST-CCHDUMJESA-N 0 0 443.507 4.901 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000034691063 555506976 /nfs/dbraw/zinc/50/69/76/555506976.db2.gz XTDWMBVPYGLQGA-QNGOZBTKSA-N 0 0 429.472 4.734 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408583956 555931583 /nfs/dbraw/zinc/93/15/83/555931583.db2.gz KVAUGAOZSBJNJI-GDNBJRDFSA-N 0 0 433.247 4.779 40 10 IJCBRN O=C1c2ccccc2C(=O)c2c(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc(O)c21 ZINC000004830829 556013933 /nfs/dbraw/zinc/01/39/33/556013933.db2.gz GGMQRXFEOLKZGP-UHFFFAOYSA-N 0 0 428.322 4.838 40 10 IJCBRN O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21)N1CCOCC1 ZINC000008740513 556206100 /nfs/dbraw/zinc/20/61/00/556206100.db2.gz PQWMZFKKGXLRIV-WFXMLNOXSA-N 0 0 439.353 4.748 40 10 IJCBRN CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000008819090 556218693 /nfs/dbraw/zinc/21/86/93/556218693.db2.gz KVSQLMFXPOPTDX-XDHOZWIPSA-N 0 0 440.590 4.850 40 10 IJCBRN CCC(CC)c1nnc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)s1 ZINC000008870022 556228728 /nfs/dbraw/zinc/22/87/28/556228728.db2.gz PXERURJHGCSOJG-GXDHUFHOSA-N 0 0 432.596 4.525 40 10 IJCBRN O=C(c1ccc(O)cc1)N1CCN(c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000016400830 556605769 /nfs/dbraw/zinc/60/57/69/556605769.db2.gz HMMNPDHRMZUYMZ-OCOZRVBESA-N 0 0 431.452 4.678 40 10 IJCBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000408758395 556676787 /nfs/dbraw/zinc/67/67/87/556676787.db2.gz ZHKKFKUTZBKHFA-MTJSOVHGSA-N 0 0 435.871 4.857 40 10 IJCBRN O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000001085805 556750235 /nfs/dbraw/zinc/75/02/35/556750235.db2.gz KRBXSCLJKGMUKP-UHFFFAOYSA-N 0 0 448.294 4.771 40 10 IJCBRN CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000000924819 556752384 /nfs/dbraw/zinc/75/23/84/556752384.db2.gz VFNHHUIJWQMRJP-NRFANRHFSA-N 0 0 435.549 4.663 40 10 IJCBRN COC(=O)c1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@H]21 ZINC000008926965 556852391 /nfs/dbraw/zinc/85/23/91/556852391.db2.gz YOIPCGLGFSOBCT-POEZALAKSA-N 0 0 428.282 4.791 40 10 IJCBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000408889618 556878849 /nfs/dbraw/zinc/87/88/49/556878849.db2.gz HVXHLXWLIBARAW-UHFFFAOYSA-N 0 0 448.862 4.638 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000409020451 556924582 /nfs/dbraw/zinc/92/45/82/556924582.db2.gz PMBNTLZJQUSMJX-XNHPLOEXSA-N 0 0 426.538 4.699 40 10 IJCBRN CCOc1cc(Br)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000409031474 556927238 /nfs/dbraw/zinc/92/72/38/556927238.db2.gz GWSLIANDABTSAH-CHHVJCJISA-N 0 0 430.389 4.714 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409066760 556941919 /nfs/dbraw/zinc/94/19/19/556941919.db2.gz MEZFTFOUKDNJND-KEBDBYFISA-N 0 0 436.855 4.753 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409103480 556952181 /nfs/dbraw/zinc/95/21/81/556952181.db2.gz WSTIMNBABQVHFP-ZVHZXABRSA-N 0 0 440.478 4.874 40 10 IJCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)NC1=S ZINC000409147080 556973065 /nfs/dbraw/zinc/97/30/65/556973065.db2.gz UUFZJLKBVQESMP-YVLHZVERSA-N 0 0 432.387 4.551 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409189211 556990864 /nfs/dbraw/zinc/99/08/64/556990864.db2.gz MTELEQPEOGUQNR-LPYMAVHISA-N 0 0 435.911 4.849 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409191488 556991994 /nfs/dbraw/zinc/99/19/94/556991994.db2.gz XEGBVFQDNWPZOC-LPYMAVHISA-N 0 0 435.911 4.849 40 10 IJCBRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409193029 556992733 /nfs/dbraw/zinc/99/27/33/556992733.db2.gz ALAMUMVBVNPZMZ-SXGWCWSVSA-N 0 0 433.352 4.813 40 10 IJCBRN COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC)SC2=S)cc1Cl ZINC000409329451 557063872 /nfs/dbraw/zinc/06/38/72/557063872.db2.gz FZLWLSSLDWYCQL-LZYBPNLTSA-N 0 0 436.898 4.671 40 10 IJCBRN O=C(NN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S)c1ccc(Cl)cc1 ZINC000409338670 557073741 /nfs/dbraw/zinc/07/37/41/557073741.db2.gz OCSZMYGFGBFEFM-NTEUORMPSA-N 0 0 442.871 4.905 40 10 IJCBRN CC(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000006077056 557145425 /nfs/dbraw/zinc/14/54/25/557145425.db2.gz GGZBFXYPTZUXKO-FBLLAGFSSA-N 0 0 438.593 4.657 40 10 IJCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3ccccc3OC)C2=O)cc1 ZINC000112289788 557238500 /nfs/dbraw/zinc/23/85/00/557238500.db2.gz MGGJLMGLELXLJA-MOHJPFBDSA-N 0 0 427.504 4.519 40 10 IJCBRN CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000040940363 557256766 /nfs/dbraw/zinc/25/67/66/557256766.db2.gz ZKUPWFGSVFVOEE-SFQUDFHCSA-N 0 0 432.954 4.675 40 10 IJCBRN CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)o1 ZINC000039127393 557262470 /nfs/dbraw/zinc/26/24/70/557262470.db2.gz FAEJTRPVGCHYNR-UHFFFAOYSA-N 0 0 429.476 4.709 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1cccc(C)c1C ZINC000033390866 557319241 /nfs/dbraw/zinc/31/92/41/557319241.db2.gz DWJQXBNJXBYWOS-STZFKDTASA-N 0 0 443.590 4.991 40 10 IJCBRN CC(=O)[C@H](N=Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C)cc1C ZINC000104096255 557320422 /nfs/dbraw/zinc/32/04/22/557320422.db2.gz JIEHDYTVRRRIEM-BMJHRBPQSA-N 0 0 439.471 4.759 40 10 IJCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1I ZINC000013575873 557348673 /nfs/dbraw/zinc/34/86/73/557348673.db2.gz UIOBDWGEIRAPIU-UVTDQMKNSA-N 0 0 437.668 4.663 40 10 IJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000222878171 557396982 /nfs/dbraw/zinc/39/69/82/557396982.db2.gz FJUYAYKUAXCHIS-DNQXCXABSA-N 0 0 433.625 4.938 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000222880074 557397230 /nfs/dbraw/zinc/39/72/30/557397230.db2.gz LKKAFUHYHSXVNO-GOTSBHOMSA-N 0 0 434.565 4.600 40 10 IJCBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000222969977 557409871 /nfs/dbraw/zinc/40/98/71/557409871.db2.gz HGDSEZFRWZSUSR-RPWUZVMVSA-N 0 0 448.592 4.990 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000223013862 557415554 /nfs/dbraw/zinc/41/55/54/557415554.db2.gz WVWDYIWMNRZUBL-LADGPHEKSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223014001 557415622 /nfs/dbraw/zinc/41/56/22/557415622.db2.gz CXQNAICRYGFFGN-ZEQRLZLVSA-N 0 0 434.609 4.725 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000223053045 557422122 /nfs/dbraw/zinc/42/21/22/557422122.db2.gz SZZBQGQKVTUKTK-PKTZIBPZSA-N 0 0 438.572 4.637 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1Br ZINC000014406710 557443833 /nfs/dbraw/zinc/44/38/33/557443833.db2.gz MBKUIJNFJOLKAM-YBEGLDIGSA-N 0 0 432.701 4.980 40 10 IJCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cccc2ccccc21 ZINC000017096458 557476677 /nfs/dbraw/zinc/47/66/77/557476677.db2.gz KTTUBOUFYKENPP-JLPGSUDCSA-N 0 0 429.476 4.500 40 10 IJCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1ccccc1 ZINC000223517705 557481561 /nfs/dbraw/zinc/48/15/61/557481561.db2.gz PAEJXSGLQDEGLL-DNQXCXABSA-N 0 0 425.561 4.748 40 10 IJCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O ZINC000223536068 557483127 /nfs/dbraw/zinc/48/31/27/557483127.db2.gz CGMCOKGQQLWQTO-GNVFRLJNSA-N 0 0 430.570 4.787 40 10 IJCBRN COc1ccccc1Oc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000223953671 557533862 /nfs/dbraw/zinc/53/38/62/557533862.db2.gz JRHVGLXFESAOCH-UHFFFAOYSA-N 0 0 434.565 4.969 40 10 IJCBRN CCN(CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)cc1 ZINC000225734982 557770548 /nfs/dbraw/zinc/77/05/48/557770548.db2.gz BLHRULMEODFHJZ-UHFFFAOYSA-N 0 0 438.641 4.824 40 10 IJCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000225798443 557778759 /nfs/dbraw/zinc/77/87/59/557778759.db2.gz AXZBIAHDUGDHGF-UHFFFAOYSA-N 0 0 428.783 4.534 40 10 IJCBRN CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC1=S ZINC000059418097 557823195 /nfs/dbraw/zinc/82/31/95/557823195.db2.gz IZQWLPBEXDAKMR-CXUHLZMHSA-N 0 0 438.343 4.998 40 10 IJCBRN Cc1ccccc1N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2C)C1=O ZINC000059502698 557826723 /nfs/dbraw/zinc/82/67/23/557826723.db2.gz WFPMSYKHUNVMAR-UHFFFAOYSA-N 0 0 441.443 4.795 40 10 IJCBRN CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(Br)c1OC ZINC000033674402 569259643 /nfs/dbraw/zinc/25/96/43/569259643.db2.gz HCBLNRUTEUIGSC-WJDWOHSUSA-N 0 0 433.327 4.939 40 10 IJCBRN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=N)S1 ZINC000002429747 569302946 /nfs/dbraw/zinc/30/29/46/569302946.db2.gz STPMYQSBFKMZBD-UJADIJFVSA-N 0 0 443.985 4.996 40 10 IJCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1Cl ZINC000041078371 520627228 /nfs/dbraw/zinc/62/72/28/520627228.db2.gz YCQIXJYZFNYVIZ-SYFPEYOMSA-N 0 0 437.883 4.768 40 10 IJCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N2O1 ZINC000041082679 520852389 /nfs/dbraw/zinc/85/23/89/520852389.db2.gz CGAYTDXZWJTHLV-PGCFBHMESA-N 0 0 437.883 4.638 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)SC2=S)cc1 ZINC000035385490 521034553 /nfs/dbraw/zinc/03/45/53/521034553.db2.gz MSABZOWZKFRCHL-YBFXNURJSA-N 0 0 431.535 4.517 40 10 IJCBRN COc1ccc(N2CCN(C(=S)c3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1 ZINC000408572236 555915621 /nfs/dbraw/zinc/91/56/21/555915621.db2.gz FTYCEWTVKPUAKU-UHFFFAOYSA-N 0 0 436.552 4.911 40 10 IJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000408586142 555936673 /nfs/dbraw/zinc/93/66/73/555936673.db2.gz LMPMIJXIGRCPSG-WJDWOHSUSA-N 0 0 432.701 4.980 40 10 IJCBRN Nc1cccc2c1C(=O)c1cccc(Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c1C2=O ZINC000004522785 555999314 /nfs/dbraw/zinc/99/93/14/555999314.db2.gz LQFRBBDYUVUZOM-UHFFFAOYSA-N 0 0 444.446 4.563 40 10 IJCBRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1 ZINC000408706589 556111909 /nfs/dbraw/zinc/11/19/09/556111909.db2.gz CBBUMUYGKYRWHK-HXUWFJFHSA-N 0 0 431.536 4.875 40 10 IJCBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(-n2c(C)ccc2C)c1 ZINC000408708572 556115105 /nfs/dbraw/zinc/11/51/05/556115105.db2.gz QNUZICKKRRASOO-HXUWFJFHSA-N 0 0 431.536 4.711 40 10 IJCBRN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000008820250 556220141 /nfs/dbraw/zinc/22/01/41/556220141.db2.gz NQGBGQYPJBHBGN-SFQUDFHCSA-N 0 0 430.620 4.777 40 10 IJCBRN CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000008820416 556220384 /nfs/dbraw/zinc/22/03/84/556220384.db2.gz NLASXRQTTXLGHA-LXBAEQJTSA-N 0 0 438.574 4.872 40 10 IJCBRN CCN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000008820671 556220809 /nfs/dbraw/zinc/22/08/09/556220809.db2.gz XSOMUDKRGGBSHL-PYBTYBIFSA-N 0 0 436.602 4.883 40 10 IJCBRN CCOc1ccccc1NC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000008820617 556220831 /nfs/dbraw/zinc/22/08/31/556220831.db2.gz CYNOWKCOGVJYJO-SDEVTQOVSA-N 0 0 438.574 4.872 40 10 IJCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1 ZINC000009030104 556241628 /nfs/dbraw/zinc/24/16/28/556241628.db2.gz LKENVYUVSJLWBX-VBKFSLOCSA-N 0 0 447.379 4.679 40 10 IJCBRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)cc12 ZINC000000878691 556730670 /nfs/dbraw/zinc/73/06/70/556730670.db2.gz KDXOTFZYLNZPIN-UHFFFAOYSA-N 0 0 449.551 4.954 40 10 IJCBRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc2c1 ZINC000000916765 556747057 /nfs/dbraw/zinc/74/70/57/556747057.db2.gz RLPGKUYZZYFMIT-UHFFFAOYSA-N 0 0 431.561 4.760 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408765485 556829778 /nfs/dbraw/zinc/82/97/78/556829778.db2.gz PZUKERUQSGNGGV-JJIBRWJFSA-N 0 0 427.504 4.604 40 10 IJCBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408819463 556865707 /nfs/dbraw/zinc/86/57/07/556865707.db2.gz SKKUZTQHBGCULH-ZDLGFXPLSA-N 0 0 436.449 4.514 40 10 IJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(F)cc2)cc1 ZINC000408841744 556867691 /nfs/dbraw/zinc/86/76/91/556867691.db2.gz KOKDUDUSIXTKKI-RCCKNPSSSA-N 0 0 431.423 4.967 40 10 IJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408937253 556896965 /nfs/dbraw/zinc/89/69/65/556896965.db2.gz IOEVMEGEDUHKPD-PXLXIMEGSA-N 0 0 441.443 4.616 40 10 IJCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1C ZINC000408959705 556899771 /nfs/dbraw/zinc/89/97/71/556899771.db2.gz DODKZLCHPALXGJ-JCMHNJIXSA-N 0 0 449.576 4.969 40 10 IJCBRN COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408994803 556913233 /nfs/dbraw/zinc/91/32/33/556913233.db2.gz JHYKJGINFRSLPI-PXLXIMEGSA-N 0 0 444.487 4.556 40 10 IJCBRN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000409018106 556919609 /nfs/dbraw/zinc/91/96/09/556919609.db2.gz RCCMOZKTAXZFOQ-ZDLGFXPLSA-N 0 0 447.409 4.600 40 10 IJCBRN CCOc1cc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)ccc1O ZINC000409021297 556921995 /nfs/dbraw/zinc/92/19/95/556921995.db2.gz AIMIYRQZXQQXPJ-IDUWFGFVSA-N 0 0 448.302 4.975 40 10 IJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(C(=O)OC)=C2C)cc1 ZINC000409023183 556923220 /nfs/dbraw/zinc/92/32/20/556923220.db2.gz UGMULKRCDIXOFS-JCMHNJIXSA-N 0 0 433.504 4.864 40 10 IJCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)C(C(=O)OC)=C2C)cc1 ZINC000409024360 556925382 /nfs/dbraw/zinc/92/53/82/556925382.db2.gz RESPHHIOKSFUHE-ATVHPVEESA-N 0 0 443.858 4.533 40 10 IJCBRN CCN(CC)c1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(O)c1 ZINC000409037524 556928961 /nfs/dbraw/zinc/92/89/61/556928961.db2.gz NVXYUHCISKGMDC-MDWZMJQESA-N 0 0 439.384 4.740 40 10 IJCBRN COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc12 ZINC000409070402 556944535 /nfs/dbraw/zinc/94/45/35/556944535.db2.gz ZDWGGURINFQQRP-SFQUDFHCSA-N 0 0 436.920 4.642 40 10 IJCBRN Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000409093656 556949498 /nfs/dbraw/zinc/94/94/98/556949498.db2.gz BLMQJWRVVDMBHT-FOWTUZBSSA-N 0 0 440.286 4.759 40 10 IJCBRN Cc1ccc(COc2ccc(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)cc2)cc1 ZINC000409139058 556971041 /nfs/dbraw/zinc/97/10/41/556971041.db2.gz LWFYAPGRRNWVFU-JCMHNJIXSA-N 0 0 428.513 4.974 40 10 IJCBRN COCCN1C(=O)[C@H](Cc2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000409149642 556974485 /nfs/dbraw/zinc/97/44/85/556974485.db2.gz MBFGNZRHDIJVRY-QFIPXVFZSA-N 0 0 437.586 4.837 40 10 IJCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409171693 556983826 /nfs/dbraw/zinc/98/38/26/556983826.db2.gz FEJGOSVQQONACR-RGVLZGJSSA-N 0 0 436.855 4.753 40 10 IJCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000409200376 556999916 /nfs/dbraw/zinc/99/99/16/556999916.db2.gz IJDGDYGDQAQZCF-AUWJEWJLSA-N 0 0 428.318 4.628 40 10 IJCBRN CCOc1ccc(Br)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409334313 557066730 /nfs/dbraw/zinc/06/67/30/557066730.db2.gz WTYQANVGITVQEA-MHWRWJLKSA-N 0 0 437.384 4.804 40 10 IJCBRN O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409350115 557078158 /nfs/dbraw/zinc/07/81/58/557078158.db2.gz XIFCJFLBVLJEDD-AUWJEWJLSA-N 0 0 439.287 4.902 40 10 IJCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O ZINC000208451629 557087919 /nfs/dbraw/zinc/08/79/19/557087919.db2.gz LFDWWBHSAATEJT-BKQORJHRSA-N 0 0 428.554 4.615 40 10 IJCBRN O=C1/C(=C/c2coc3ccccc3c2=O)SC(=S)N1c1ccc(Br)cc1 ZINC000409380534 557094878 /nfs/dbraw/zinc/09/48/78/557094878.db2.gz NFKRRNHCYBRUKD-SXGWCWSVSA-N 0 0 444.331 4.961 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c([N+](=O)[O-])cc1OC ZINC000100535901 557115087 /nfs/dbraw/zinc/11/50/87/557115087.db2.gz AAQXWGMSZMEFJV-AWNIVKPZSA-N 0 0 436.251 4.725 40 10 IJCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1C ZINC000001166226 557119707 /nfs/dbraw/zinc/11/97/07/557119707.db2.gz YAWJRKHQTNARFY-STZFKDTASA-N 0 0 435.549 4.579 40 10 IJCBRN CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000104169814 557141897 /nfs/dbraw/zinc/14/18/97/557141897.db2.gz DNOSHLMRNVSVRX-UHFFFAOYSA-N 0 0 428.513 4.834 40 10 IJCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106736860 557160091 /nfs/dbraw/zinc/16/00/91/557160091.db2.gz XORWAQFAIOMQJI-UNOMPAQXSA-N 0 0 432.904 4.552 40 10 IJCBRN O=C1N=C(Nc2ccc(I)cc2)SC1=Cc1c[nH]c2ccccc12 ZINC000038183522 557206284 /nfs/dbraw/zinc/20/62/84/557206284.db2.gz LSDMHPLFYCLPEJ-CXUHLZMHSA-N 0 0 445.285 4.855 40 10 IJCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000260562975 557285682 /nfs/dbraw/zinc/28/56/82/557285682.db2.gz DSWDFCGCOHLKGI-HVWABSDWSA-N 0 0 436.961 4.660 40 10 IJCBRN O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1c1ccc(O)cc1 ZINC000102733201 557306761 /nfs/dbraw/zinc/30/67/61/557306761.db2.gz YUZXPQGCSAOBDA-IDUWFGFVSA-N 0 0 442.905 4.728 40 10 IJCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1O ZINC000104821835 557328544 /nfs/dbraw/zinc/32/85/44/557328544.db2.gz YCUJPCAQSNWESF-FPYGCLRLSA-N 0 0 432.732 4.556 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Br)cc1 ZINC000222740768 557381769 /nfs/dbraw/zinc/38/17/69/557381769.db2.gz AQWJSODWXFKCKJ-WOJBJXKFSA-N 0 0 441.398 4.854 40 10 IJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1cc(C)cc(C)c1 ZINC000033430050 557397305 /nfs/dbraw/zinc/39/73/05/557397305.db2.gz OPRYXADAYKWCHT-STZFKDTASA-N 0 0 443.590 4.991 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000222899978 557400470 /nfs/dbraw/zinc/40/04/70/557400470.db2.gz SGMHEKWLROTLOL-GOTSBHOMSA-N 0 0 448.592 4.658 40 10 IJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000222900278 557400725 /nfs/dbraw/zinc/40/07/25/557400725.db2.gz POMZCJLXPHBJKV-GOTSBHOMSA-N 0 0 448.592 4.658 40 10 IJCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223051506 557421466 /nfs/dbraw/zinc/42/14/66/557421466.db2.gz ZBOFXKARXPMEEU-RPWUZVMVSA-N 0 0 434.609 4.807 40 10 IJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1Br ZINC000014414470 557445713 /nfs/dbraw/zinc/44/57/13/557445713.db2.gz OSXGCIFXYHRTON-VVTMIQRTSA-N 0 0 426.310 4.883 40 10 IJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000014415081 557446703 /nfs/dbraw/zinc/44/67/03/557446703.db2.gz KUDMSWXJRWBHKH-QJOMJCCJSA-N 0 0 427.500 4.851 40 10 IJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000223306839 557457559 /nfs/dbraw/zinc/45/75/59/557457559.db2.gz QYQCLLDXXNESFO-TUACAJSNSA-N 0 0 432.593 4.641 40 10 IJCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223366557 557463266 /nfs/dbraw/zinc/46/32/66/557463266.db2.gz XWCWIZUBEUHUCU-DNQXCXABSA-N 0 0 444.560 4.955 40 10 IJCBRN COc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000017097468 557479020 /nfs/dbraw/zinc/47/90/20/557479020.db2.gz ALQQQQXZTXJFRP-KQWNVCNZSA-N 0 0 431.467 4.980 40 10 IJCBRN CC(NCc1cccnc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017094496 557484383 /nfs/dbraw/zinc/48/43/83/557484383.db2.gz UVAIIERBPIHRGI-PGMHBOJBSA-N 0 0 425.517 4.506 40 10 IJCBRN CCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC ZINC000223687158 557502416 /nfs/dbraw/zinc/50/24/16/557502416.db2.gz BBQXNPDNYWVFSA-UHFFFAOYSA-N 0 0 429.925 4.943 40 10 IJCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cc(OC)ccc3OC)C2=O)cc1 ZINC000019638273 557503470 /nfs/dbraw/zinc/50/34/70/557503470.db2.gz KAGNMHZIOWKCTF-ULJHMMPZSA-N 0 0 443.503 4.849 40 10 IJCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2cccc(OC)c2)cc1 ZINC000019643389 557504089 /nfs/dbraw/zinc/50/40/89/557504089.db2.gz XRAIJODGSSDAQF-ULJHMMPZSA-N 0 0 445.494 4.658 40 10 IJCBRN C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956843 557796848 /nfs/dbraw/zinc/79/68/48/557796848.db2.gz SOMHGNILEJMRSQ-MRXNPFEDSA-N 0 0 445.036 4.596 40 10 IJCBRN CCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S ZINC000058822015 557812665 /nfs/dbraw/zinc/81/26/65/557812665.db2.gz LEXHAUNBOJJTSD-CXUHLZMHSA-N 0 0 431.451 4.516 40 10 IJCBRN COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc(-n4ccnc4C)cc3)C(C)C)C2)cc1 ZINC000257290844 568707153 /nfs/dbraw/zinc/70/71/53/568707153.db2.gz QEPALAOCIVNKDF-TWJOJJKGSA-N 0 0 434.584 4.513 40 10 IJCBRN CCOC(=O)C1=C(C)NC(SCc2cccc(F)c2)=N[C@H]1c1ccc(N(C)C)cc1 ZINC000034782003 569260098 /nfs/dbraw/zinc/26/00/98/569260098.db2.gz QKJIRZVJDUCYNI-NRFANRHFSA-N 0 0 427.545 4.663 40 10 IJCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O ZINC000208323516 569261404 /nfs/dbraw/zinc/26/14/04/569261404.db2.gz CZNRBUYNROIRQH-SKCQWOFPSA-N 0 0 430.570 4.707 40 10 IJCBRN