smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000035377928 519750127 /nfs/dbraw/zinc/75/01/27/519750127.db2.gz BXGBBUHDZHYDRA-UHFFFAOYSA-N -1 0 429.889 3.587 50 0 IHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(Br)ccc1OC)O[C@@H](C)C2 ZINC000012584477 520796838 /nfs/dbraw/zinc/79/68/38/520796838.db2.gz AJFPFZDVJSMHHL-NSHDSACASA-N -1 0 442.331 3.981 50 0 IHAARM CCOc1ccc(NC(=O)CSc2[n-]c3ccc(C)cc3c(=O)c2C(=O)OC)cc1 ZINC000015731519 521065546 /nfs/dbraw/zinc/06/55/46/521065546.db2.gz GESBUBFOZKQXRV-UHFFFAOYSA-N -1 0 426.494 3.753 50 0 IHAARM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2OC)s1 ZINC000033007905 521230182 /nfs/dbraw/zinc/23/01/82/521230182.db2.gz QMJSWFHRZDFKMR-UHFFFAOYSA-N -1 0 427.454 3.732 50 0 IHAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000035397220 521375707 /nfs/dbraw/zinc/37/57/07/521375707.db2.gz BEYJUWWMBDDEKM-UHFFFAOYSA-N -1 0 429.473 3.746 50 0 IHAARM CCN1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000022626843 521693318 /nfs/dbraw/zinc/69/33/18/521693318.db2.gz JCACMNWLICGWOP-OAHLLOKOSA-N -1 0 426.373 3.839 50 0 IHAARM CCc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854875 522536806 /nfs/dbraw/zinc/53/68/06/522536806.db2.gz GGVQSENUTCZBGP-GOSISDBHSA-N -1 0 427.505 3.703 50 0 IHAARM CCc1nc2sc([C@H](c3ccco3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854874 522540281 /nfs/dbraw/zinc/54/02/81/522540281.db2.gz GGVQSENUTCZBGP-SFHVURJKSA-N -1 0 427.505 3.703 50 0 IHAARM COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)ccc1OCC(=O)[O-] ZINC000012532699 522965679 /nfs/dbraw/zinc/96/56/79/522965679.db2.gz OYVLMCGEZBGVQP-QHCPKHFHSA-N -1 0 448.431 3.658 50 0 IHAARM COc1ccc(/C=C2\SC(=O)N(CCCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000015799240 523426828 /nfs/dbraw/zinc/42/68/28/523426828.db2.gz XRHJFZNAPLHHLW-AQTBWJFISA-N -1 0 440.477 3.849 50 0 IHAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccc3)CC2)cc1 ZINC000032947085 523743086 /nfs/dbraw/zinc/74/30/86/523743086.db2.gz FYAOPJOUBMAFMA-UHFFFAOYSA-N -1 0 431.492 3.972 50 0 IHAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022852462 524104761 /nfs/dbraw/zinc/10/47/61/524104761.db2.gz UQJYVNRMRZUAPK-IYOUNJFTSA-N -1 0 440.525 3.964 50 0 IHAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C5CC5)ccc4n3)CC2)c1 ZINC000033260834 524559769 /nfs/dbraw/zinc/55/97/69/524559769.db2.gz NFVVJGWZDMOGRR-UHFFFAOYSA-N -1 0 430.508 3.917 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@]2(C)CC2(Cl)Cl)c1 ZINC000022196795 524645920 /nfs/dbraw/zinc/64/59/20/524645920.db2.gz LMVLVPYYLUXEMS-KRWDZBQOSA-N -1 0 445.324 3.724 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000016050924 524648343 /nfs/dbraw/zinc/64/83/43/524648343.db2.gz ZEGUJSHYGSOASQ-UHFFFAOYSA-N -1 0 449.488 3.590 50 0 IHAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(C)c(N(C)C)c2)c(C)n1C ZINC000021154510 525572702 /nfs/dbraw/zinc/57/27/02/525572702.db2.gz CPWBPAFRYIBAFZ-UHFFFAOYSA-N -1 0 446.617 3.833 50 0 IHAARM C[C@@]1(c2ccccc2)C[C@@H](Nc2ccc(I)cc2C(=O)[O-])C(=O)O1 ZINC000012402142 525903670 /nfs/dbraw/zinc/90/36/70/525903670.db2.gz BUPYJCMKAHHTOT-QAPCUYQASA-N -1 0 437.233 3.632 50 0 biogenic,in-vitro IHAARM [O-]c1c([C@@H](c2cccc(F)c2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 ZINC000022609596 526331346 /nfs/dbraw/zinc/33/13/46/526331346.db2.gz AGWTTZQSSSARQQ-GOSISDBHSA-N -1 0 427.480 3.686 50 0 IHAARM [O-]c1c([C@H](c2cccc(F)c2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022609600 526332265 /nfs/dbraw/zinc/33/22/65/526332265.db2.gz JCXYSPQGUMALGI-SFHVURJKSA-N -1 0 427.480 3.686 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)c1C ZINC000000864987 526640600 /nfs/dbraw/zinc/64/06/00/526640600.db2.gz MATDMIAWHSMHGY-UHFFFAOYSA-N -1 0 429.498 3.727 50 0 IHAARM O=C(Cc1csc(-c2ccccc2Cl)n1)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000069489108 527333215 /nfs/dbraw/zinc/33/32/15/527333215.db2.gz FOVIAFLUHSALTD-UHFFFAOYSA-N -1 0 447.969 3.820 50 0 IHAARM O=C(Nc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1)C1CC1 ZINC000012544917 527361992 /nfs/dbraw/zinc/36/19/92/527361992.db2.gz VIHVDPOXMLYHLE-UHFFFAOYSA-N -1 0 431.258 3.877 50 0 IHAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000000715404 555548593 /nfs/dbraw/zinc/54/85/93/555548593.db2.gz AARQWRFIMPKGQF-UHFFFAOYSA-N -1 0 426.498 3.545 50 0 IHAARM CC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000986270 555594822 /nfs/dbraw/zinc/59/48/22/555594822.db2.gz ADSGDTLOYBDFGC-UHFFFAOYSA-N -1 0 437.370 3.871 50 0 IHAARM Cn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)CSCC(=O)[O-] ZINC000001029138 555605405 /nfs/dbraw/zinc/60/54/05/555605405.db2.gz LUCIQHZAVHEQBZ-UHFFFAOYSA-N -1 0 441.353 3.881 50 0 IHAARM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000001088066 555627021 /nfs/dbraw/zinc/62/70/21/555627021.db2.gz YCXHTJUDKURKBK-UXHICEINSA-N -1 0 446.525 3.716 50 0 IHAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(Cl)cc1Cl ZINC000001136595 555647214 /nfs/dbraw/zinc/64/72/14/555647214.db2.gz BWBTUALSLWIOFW-UHFFFAOYSA-N -1 0 445.324 3.974 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000001221180 555685948 /nfs/dbraw/zinc/68/59/48/555685948.db2.gz SAPQNNGAIHFCSH-HRZAVBMWSA-N -1 0 429.859 3.975 50 0 IHAARM Cc1c(C(=O)[O-])sc2[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)nc(=O)c12 ZINC000002699818 555800432 /nfs/dbraw/zinc/80/04/32/555800432.db2.gz FGVWPOPWKFQXNV-UHFFFAOYSA-N -1 0 443.428 3.741 50 0 IHAARM COc1ccc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1 ZINC000034762749 555904343 /nfs/dbraw/zinc/90/43/43/555904343.db2.gz SYQKYGIUHWBDBV-UHFFFAOYSA-N -1 0 432.402 3.521 50 0 IHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCc3cccs3)c(=O)[n-]2)c1 ZINC000034765126 555906098 /nfs/dbraw/zinc/90/60/98/555906098.db2.gz ICOVUFZCQBMGTE-HNNXBMFYSA-N -1 0 426.542 3.775 50 0 IHAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)c1 ZINC000006141464 556076938 /nfs/dbraw/zinc/07/69/38/556076938.db2.gz BADFKMASZGUKLB-UXHICEINSA-N -1 0 430.526 3.934 50 0 IHAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Cl)CC[C@H](C(C)(C)C)C3 ZINC000002778003 556140738 /nfs/dbraw/zinc/14/07/38/556140738.db2.gz KECVDRKJJCEZTJ-NSHDSACASA-N -1 0 433.965 3.688 50 0 IHAARM O=S(=O)([N-]c1ncn(Cc2cccc(Cl)c2)n1)c1ccc(Br)s1 ZINC000002776893 556140782 /nfs/dbraw/zinc/14/07/82/556140782.db2.gz SDBPJAUKHQFPDM-UHFFFAOYSA-N -1 0 433.740 3.605 50 0 IHAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc(C(F)(F)F)n(C)n1)CCCCCC3 ZINC000002780477 556141569 /nfs/dbraw/zinc/14/15/69/556141569.db2.gz BJFWQNOCBIOMJV-UHFFFAOYSA-N -1 0 439.463 3.562 50 0 IHAARM C[C@@H](CCc1ccccc1)NC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974447 556152898 /nfs/dbraw/zinc/15/28/98/556152898.db2.gz NPOYCMXBSRHDQA-HNNXBMFYSA-N -1 0 439.537 3.705 50 0 IHAARM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])c2ccccc2C)cc1 ZINC000002979076 556153630 /nfs/dbraw/zinc/15/36/30/556153630.db2.gz ATLADMUMSDJKKP-UHFFFAOYSA-N -1 0 438.505 3.836 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1(c2ccccc2)CCOCC1 ZINC000008663484 556197539 /nfs/dbraw/zinc/19/75/39/556197539.db2.gz YYMIHFCPNASDET-UHFFFAOYSA-N -1 0 437.521 3.569 50 0 IHAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013721509 556290212 /nfs/dbraw/zinc/29/02/12/556290212.db2.gz INVDLUJUAWTDPB-DYESRHJHSA-N -1 0 433.888 3.548 50 0 IHAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013721504 556290323 /nfs/dbraw/zinc/29/03/23/556290323.db2.gz INVDLUJUAWTDPB-LAUBAEHRSA-N -1 0 433.888 3.548 50 0 IHAARM C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013723593 556291840 /nfs/dbraw/zinc/29/18/40/556291840.db2.gz HFJPMFDDMOTMSJ-GFCCVEGCSA-N -1 0 428.539 3.510 50 0 IHAARM CCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1OCC(=O)[O-])Nc1ccccc1-2 ZINC000009601859 556302781 /nfs/dbraw/zinc/30/27/81/556302781.db2.gz KUQTVJNFPMJKGE-IBGZPJMESA-N -1 0 440.481 3.626 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000009860966 556314345 /nfs/dbraw/zinc/31/43/45/556314345.db2.gz ZUUITSHWOUYTIC-HRZAVBMWSA-N -1 0 429.859 3.975 50 0 IHAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)C1 ZINC000013949272 556344259 /nfs/dbraw/zinc/34/42/59/556344259.db2.gz UEMDJLRNJBVECH-STQMWFEESA-N -1 0 449.019 3.869 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000014066393 556359304 /nfs/dbraw/zinc/35/93/04/556359304.db2.gz LRMKHECNIFYEBJ-UHFFFAOYSA-N -1 0 449.532 3.950 50 0 IHAARM COc1cc(NC(=O)CSc2nnc(NC(C)(C)C)s2)c(Cl)cc1C(=O)[O-] ZINC000013246635 556500613 /nfs/dbraw/zinc/50/06/13/556500613.db2.gz XXVPNCMYHSWSAY-UHFFFAOYSA-N -1 0 430.939 3.840 50 0 IHAARM Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1Br ZINC000013349320 556502739 /nfs/dbraw/zinc/50/27/39/556502739.db2.gz KXQHNZFVDWMWMI-HNNXBMFYSA-N -1 0 432.723 3.905 50 0 IHAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Br)o2)c1 ZINC000013400805 556504430 /nfs/dbraw/zinc/50/44/30/556504430.db2.gz GXJAYURGBVBEPA-GXDHUFHOSA-N -1 0 445.225 3.743 50 0 IHAARM COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000013608692 556533822 /nfs/dbraw/zinc/53/38/22/556533822.db2.gz WVBLLEMUOGFVPR-UGKGYDQZSA-N -1 0 444.503 3.999 50 0 IHAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 ZINC000017299999 556675126 /nfs/dbraw/zinc/67/51/26/556675126.db2.gz CUMXKCCSGQTGBM-WQRHYEAKSA-N -1 0 440.477 3.612 50 0 IHAARM C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@@H](C)CO1 ZINC000058703179 556791203 /nfs/dbraw/zinc/79/12/03/556791203.db2.gz YNIRCSWYXWRPTD-QWHCGFSZSA-N -1 0 426.897 3.529 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000097940886 556810530 /nfs/dbraw/zinc/81/05/30/556810530.db2.gz RNEKVMPJLJHQND-UHFFFAOYSA-N -1 0 428.514 3.713 50 0 IHAARM Cc1ccc(CNC(=O)N2CCc3c(=O)n4[n-]c(-c5ccccc5Cl)cc4nc3C2)cc1 ZINC000097942008 556812809 /nfs/dbraw/zinc/81/28/09/556812809.db2.gz ZPNJOLKAVQSPJH-UHFFFAOYSA-N -1 0 447.926 3.919 50 0 IHAARM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c(OC)c1 ZINC000019647374 556840865 /nfs/dbraw/zinc/84/08/65/556840865.db2.gz PXIPXLMQKORPRR-UHFFFAOYSA-N -1 0 448.526 3.610 50 0 IHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1 ZINC000033263904 556958431 /nfs/dbraw/zinc/95/84/31/556958431.db2.gz HSNRAYPFVNOWBH-UHFFFAOYSA-N -1 0 430.360 3.931 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)cc1 ZINC000023126518 557008291 /nfs/dbraw/zinc/00/82/91/557008291.db2.gz BCFJROIYEYSRMY-WOJBJXKFSA-N -1 0 430.468 3.662 50 0 IHAARM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4F)ccc3n2C)cc1 ZINC000033277005 557057942 /nfs/dbraw/zinc/05/79/42/557057942.db2.gz RLPZVQMKWSTYQF-UHFFFAOYSA-N -1 0 438.484 3.540 50 0 IHAARM CSc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4c(F)cccc4F)o3)CC2=O)cc1 ZINC000033291343 557069454 /nfs/dbraw/zinc/06/94/54/557069454.db2.gz SRVSGSDYRYTQLK-NSHDSACASA-N -1 0 430.436 3.843 50 0 IHAARM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1C ZINC000023199885 557072955 /nfs/dbraw/zinc/07/29/55/557072955.db2.gz SVLBCUHDGJUQEV-UHFFFAOYSA-N -1 0 443.399 3.723 50 0 IHAARM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 ZINC000023371006 557088404 /nfs/dbraw/zinc/08/84/04/557088404.db2.gz JICBJQLPPFLJOH-UHFFFAOYSA-N -1 0 440.525 3.634 50 0 IHAARM Cc1nc(-c2ccccc2)sc1C(=O)[N-]N1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000023948343 557126931 /nfs/dbraw/zinc/12/69/31/557126931.db2.gz WLGMREMXIXQFAD-HSZRJFAPSA-N -1 0 434.521 3.707 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)c1C ZINC000000790661 557193869 /nfs/dbraw/zinc/19/38/69/557193869.db2.gz MDBDHVBWWBNOTF-UHFFFAOYSA-N -1 0 429.498 3.727 50 0 IHAARM CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=S)n(CCC2=CCCCC2)c1=O ZINC000101027508 557214162 /nfs/dbraw/zinc/21/41/62/557214162.db2.gz SGMXIKZJGBKSFE-HXUWFJFHSA-N -1 0 425.554 3.996 50 0 IHAARM COc1ccc2nc(-c3ccc(OC)c([N-]S(=O)(=O)c4ccc(C)s4)c3)cn2n1 ZINC000011693562 557232485 /nfs/dbraw/zinc/23/24/85/557232485.db2.gz JVEVIHKVXOGRNH-UHFFFAOYSA-N -1 0 430.511 3.584 50 0 IHAARM COc1ccc(Br)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1 ZINC000101168134 557258628 /nfs/dbraw/zinc/25/86/28/557258628.db2.gz RMSJMRZAIHEIGJ-JKSUJKDBSA-N -1 0 449.692 3.605 50 0 IHAARM CCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(CC)c1=O ZINC000100674736 557269130 /nfs/dbraw/zinc/26/91/30/557269130.db2.gz BORBNFNIMMFIHO-UHFFFAOYSA-N -1 0 446.507 3.554 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000101497635 557289474 /nfs/dbraw/zinc/28/94/74/557289474.db2.gz KGNXKTNEOHUWGX-UHFFFAOYSA-N -1 0 428.901 3.519 50 0 IHAARM COc1ccc(-n2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c([O-])c3cccnc32)cc1 ZINC000101723286 557294700 /nfs/dbraw/zinc/29/47/00/557294700.db2.gz LXVABDAGXXWENW-UHFFFAOYSA-N -1 0 435.867 3.683 50 0 IHAARM CC(C)Cn1c(=O)c2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2[n-]c1=S ZINC000101843919 557298227 /nfs/dbraw/zinc/29/82/27/557298227.db2.gz YTYXCMBNHKQLRE-UHFFFAOYSA-N -1 0 435.553 3.580 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1C ZINC000101893121 557306118 /nfs/dbraw/zinc/30/61/18/557306118.db2.gz LNFSXJRAMZOCQB-MSOLQXFVSA-N -1 0 436.859 3.500 50 0 IHAARM O=c1nc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)[n-]c2ccsc21 ZINC000014160127 557311854 /nfs/dbraw/zinc/31/18/54/557311854.db2.gz VRCCOMDKYDMPTF-LLVKDONJSA-N -1 0 431.568 3.776 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)cc1 ZINC000101262264 557455959 /nfs/dbraw/zinc/45/59/59/557455959.db2.gz BCFJROIYEYSRMY-UXHICEINSA-N -1 0 430.468 3.662 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000044803211 557537153 /nfs/dbraw/zinc/53/71/53/557537153.db2.gz XOAOOJNSQHSVMC-GFCCVEGCSA-N -1 0 441.488 3.769 50 0 IHAARM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000865014 557839014 /nfs/dbraw/zinc/83/90/14/557839014.db2.gz BWTUWWZMAKCANE-UHFFFAOYSA-N -1 0 448.504 4.000 50 0 IHAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)COc1cccc(Br)c1 ZINC000238142806 557840976 /nfs/dbraw/zinc/84/09/76/557840976.db2.gz FOANYVLODDUGEG-UHFFFAOYSA-N -1 0 428.229 3.610 50 0 IHAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000004295725 562943106 /nfs/dbraw/zinc/94/31/06/562943106.db2.gz MDYBRCHPMKMXDC-NJDAHSKKSA-N -1 0 432.407 3.575 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000009662890 562974918 /nfs/dbraw/zinc/97/49/18/562974918.db2.gz FYGANZNGKJHQAF-UHFFFAOYSA-N -1 0 441.509 3.896 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000003289990 568745200 /nfs/dbraw/zinc/74/52/00/568745200.db2.gz XMRVFOOQBDUIAJ-UHFFFAOYSA-N -1 0 426.498 3.556 50 0 IHAARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C(C)NCc2ccc(C(F)(F)F)cc2)C1=O ZINC000001407394 568787017 /nfs/dbraw/zinc/78/70/17/568787017.db2.gz GEKSAOPPVTUNAA-QGOAFFKASA-N -1 0 447.413 3.751 50 0 IHAARM COc1ccccc1CNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000015739461 568819240 /nfs/dbraw/zinc/81/92/40/568819240.db2.gz PYUPHEUNHSFRNA-UHFFFAOYSA-N -1 0 440.521 3.743 50 0 IHAARM O=C(NC[C@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000006093357 568824607 /nfs/dbraw/zinc/82/46/07/568824607.db2.gz SWERMQFLSWCEQC-GFCCVEGCSA-N -1 0 435.354 3.765 50 0 IHAARM COc1ccc(Cl)cc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000015781965 568826214 /nfs/dbraw/zinc/82/62/14/568826214.db2.gz ICLHELQYQJWCIP-INIZCTEOSA-N -1 0 434.876 3.972 50 0 IHAARM O=C(c1cc(F)cc(Cl)c1[O-])N1CCN(Cc2ccc(Br)s2)CC1 ZINC000078995427 568887326 /nfs/dbraw/zinc/88/73/26/568887326.db2.gz WASNHLSSPGNYSV-UHFFFAOYSA-N -1 0 433.730 3.967 50 0 IHAARM Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000001912836 568922493 /nfs/dbraw/zinc/92/24/93/568922493.db2.gz PYFSDCKUIIASFN-UHFFFAOYSA-N -1 0 431.539 3.887 50 0 IHAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016689803 568938372 /nfs/dbraw/zinc/93/83/72/568938372.db2.gz UQJYVNRMRZUAPK-QWQRMKEZSA-N -1 0 440.525 3.964 50 0 IHAARM CCc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1 ZINC000064774688 568954105 /nfs/dbraw/zinc/95/41/05/568954105.db2.gz SAWYCRYUZUVTSI-CYBMUJFWSA-N -1 0 437.525 3.884 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000064774696 568954191 /nfs/dbraw/zinc/95/41/91/568954191.db2.gz KWWJYCQFEWARJD-NSHDSACASA-N -1 0 443.916 3.975 50 0 IHAARM CC(=O)c1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000064843426 568970449 /nfs/dbraw/zinc/97/04/49/568970449.db2.gz HQCYAPSZJRDISE-UHFFFAOYSA-N -1 0 431.514 3.554 50 0 IHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)sc1C ZINC000065116533 569107266 /nfs/dbraw/zinc/10/72/66/569107266.db2.gz WZJTYKIUMIWSKP-UHFFFAOYSA-N -1 0 446.554 3.706 50 0 IHAARM COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000007059313 569128300 /nfs/dbraw/zinc/12/83/00/569128300.db2.gz JLUFCFSGZOZCCC-IBGZPJMESA-N -1 0 426.469 3.645 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCCc3ccc(F)cc3)cs2)cc1 ZINC000016848634 569164355 /nfs/dbraw/zinc/16/43/55/569164355.db2.gz OZFWLSGULBNUDZ-UHFFFAOYSA-N -1 0 447.557 3.683 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)c1 ZINC000016944926 569166978 /nfs/dbraw/zinc/16/69/78/569166978.db2.gz FVNHCXLTXLJCJH-UHFFFAOYSA-N -1 0 442.493 3.691 50 0 IHAARM CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2c2nc(O)c(CC(=O)[O-])s2)cc1 ZINC000252492352 569187873 /nfs/dbraw/zinc/18/78/73/569187873.db2.gz MJQAFDCFWMUFLY-VQTJNVASSA-N -1 0 437.521 3.881 50 0 IHAARM Cc1cc(OCC(=O)N2CCC(C(=O)[O-])CC2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002159247 569187891 /nfs/dbraw/zinc/18/78/91/569187891.db2.gz JIUNPQWTBNSGJH-UHFFFAOYSA-N -1 0 449.503 3.703 50 0 biogenic IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc32)ccc1C ZINC000002231552 569210570 /nfs/dbraw/zinc/21/05/70/569210570.db2.gz RIBRSRUCDXMYTK-UHFFFAOYSA-N -1 0 435.505 3.718 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3s2)cc1 ZINC000013349092 569313170 /nfs/dbraw/zinc/31/31/70/569313170.db2.gz DRONNDRPTHJFHR-HNNXBMFYSA-N -1 0 446.554 3.706 50 0 IHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000078610325 569316562 /nfs/dbraw/zinc/31/65/62/569316562.db2.gz JAOUKTJARXAJCX-KRWDZBQOSA-N -1 0 447.315 3.718 50 0 IHAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000096809885 569402531 /nfs/dbraw/zinc/40/25/31/569402531.db2.gz PFQMQVYFDWAUCW-HXUWFJFHSA-N -1 0 437.544 3.851 50 0 IHAARM Cc1ccc(N2CC(Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)=CC2=O)cc1 ZINC000227163146 569431746 /nfs/dbraw/zinc/43/17/46/569431746.db2.gz TXFLENSYGMYNLD-UHFFFAOYSA-N -1 0 426.523 3.595 50 0 IHAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)NCc3cccs3)cc2[n-]c1=S ZINC000003051697 569439293 /nfs/dbraw/zinc/43/92/93/569439293.db2.gz CMDXVVKAFWXNTK-UHFFFAOYSA-N -1 0 437.546 3.734 50 0 IHAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3[n-]c2=S)cc1 ZINC000003632271 569455359 /nfs/dbraw/zinc/45/53/59/569455359.db2.gz LBYCWASYTFNXDQ-UHFFFAOYSA-N -1 0 445.544 3.715 50 0 biogenic IHAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008978927 569492984 /nfs/dbraw/zinc/49/29/84/569492984.db2.gz NTLJPOODBVRWHH-UHFFFAOYSA-N -1 0 445.522 3.584 50 0 IHAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000008994261 569495524 /nfs/dbraw/zinc/49/55/24/569495524.db2.gz VFWCPRVYHMOYSO-ZWSORDCHSA-N -1 0 447.852 3.769 50 0 IHAARM COc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c1 ZINC000040450572 569506332 /nfs/dbraw/zinc/50/63/32/569506332.db2.gz HAVDCGAVUORHKN-LLVKDONJSA-N -1 0 439.331 3.556 50 0 IHAARM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000009295761 569520430 /nfs/dbraw/zinc/52/04/30/569520430.db2.gz PGAKQZZVLDDJMI-ZDLGFXPLSA-N -1 0 431.441 3.924 50 0 IHAARM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1Cl ZINC000009495351 569541074 /nfs/dbraw/zinc/54/10/74/569541074.db2.gz GFTGDSFPWRTFAM-UHFFFAOYSA-N -1 0 437.370 3.825 50 0 IHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000009646441 569556246 /nfs/dbraw/zinc/55/62/46/569556246.db2.gz NXPPRCVGIYGKIZ-UHFFFAOYSA-N -1 0 425.459 3.645 50 0 IHAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000009646521 569556341 /nfs/dbraw/zinc/55/63/41/569556341.db2.gz FIFCNKKUOHZICG-UHFFFAOYSA-N -1 0 437.470 3.789 50 0 IHAARM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000009707405 569561475 /nfs/dbraw/zinc/56/14/75/569561475.db2.gz PSXHVYAOAOSPEC-UHFFFAOYSA-N -1 0 427.432 3.773 50 0 IHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000009715073 569563044 /nfs/dbraw/zinc/56/30/44/569563044.db2.gz WQJGQHJOHYRCDC-UHFFFAOYSA-N -1 0 439.468 3.643 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)cc1 ZINC000009828579 569569766 /nfs/dbraw/zinc/56/97/66/569569766.db2.gz VHCPSVAUYCRCBY-OAHLLOKOSA-N -1 0 427.551 3.773 50 0 IHAARM COc1ccc(C)cc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000009828600 569569844 /nfs/dbraw/zinc/56/98/44/569569844.db2.gz YAYUSFWRYWDXAQ-UHFFFAOYSA-N -1 0 431.539 3.751 50 0 IHAARM COc1ccc(Br)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1 ZINC000009939937 569573911 /nfs/dbraw/zinc/57/39/11/569573911.db2.gz RMSJMRZAIHEIGJ-CVEARBPZSA-N -1 0 449.692 3.605 50 0 IHAARM CC(C)(C)c1cc(SCc2c(C(=O)[O-])nnn2-c2nonc2N)cc(C(C)(C)C)c1O ZINC000009971405 569576262 /nfs/dbraw/zinc/57/62/62/569576262.db2.gz QJTFIFNCUCYNRB-UHFFFAOYSA-N -1 0 446.533 3.524 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc4ncccc43)cs2)cc1 ZINC000013690763 569584335 /nfs/dbraw/zinc/58/43/35/569584335.db2.gz VXNPFAOYLURQTQ-UHFFFAOYSA-N -1 0 438.534 3.982 50 0 IHAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(CC(=O)[O-])c4ccccc34)C2=O)cc1 ZINC000009851429 193907947 /nfs/dbraw/zinc/90/79/47/193907947.db2.gz KMNJSHVBBSEWMH-GRSHGNNSSA-N -1 0 449.488 3.709 50 0 IHAARM C[C@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000006350067 132277138 /nfs/dbraw/zinc/27/71/38/132277138.db2.gz KJXSCSFXAYSUQS-KBPBESRZSA-N -1 0 432.933 3.698 50 0 IHAARM C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000006350068 132277228 /nfs/dbraw/zinc/27/72/28/132277228.db2.gz KJXSCSFXAYSUQS-ZIAGYGMSSA-N -1 0 432.933 3.698 50 0 IHAARM CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000009352306 132314228 /nfs/dbraw/zinc/31/42/28/132314228.db2.gz DWCSEQQCQVMMDN-UHFFFAOYSA-N -1 0 446.569 3.610 50 0 IHAARM COC1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000009376178 132314522 /nfs/dbraw/zinc/31/45/22/132314522.db2.gz WEEMSVVPVZKKCG-UHFFFAOYSA-N -1 0 432.933 3.699 50 0 IHAARM Cc1nc2c3c(nn2c(C)c1CCC(=O)[O-])nc(N1CCCCC1)nc3-c1ccccc1 ZINC000009560302 132321341 /nfs/dbraw/zinc/32/13/41/132321341.db2.gz HMVCMTNDHSZDNE-UHFFFAOYSA-N -1 0 430.512 3.964 50 0 IHAARM O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1cccs1 ZINC000009569488 132322000 /nfs/dbraw/zinc/32/20/00/132322000.db2.gz KKXQZFFLBINGIV-UHFFFAOYSA-N -1 0 434.564 3.690 50 0 IHAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000010059735 132334455 /nfs/dbraw/zinc/33/44/55/132334455.db2.gz UBWJIAKQBNSXGV-UHFFFAOYSA-N -1 0 435.549 3.591 50 0 IHAARM Cc1ccccc1N1C(=O)[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O ZINC000013451733 132347018 /nfs/dbraw/zinc/34/70/18/132347018.db2.gz RLGYMJJNSFHFHY-UHFFFAOYSA-N -1 0 428.492 3.620 50 0 IHAARM CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000016690212 520961730 /nfs/dbraw/zinc/96/17/30/520961730.db2.gz KBSYGJSFRKOHPK-INIZCTEOSA-N -1 0 449.964 3.576 50 0 IHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)cc1OCC ZINC000012650726 521212951 /nfs/dbraw/zinc/21/29/51/521212951.db2.gz CBOSAABRUVAKKV-UHFFFAOYSA-N -1 0 434.543 3.565 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000035378040 521228200 /nfs/dbraw/zinc/22/82/00/521228200.db2.gz GWVOHBWJZHOJNK-UHFFFAOYSA-N -1 0 443.916 3.977 50 0 IHAARM CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000012341978 522536718 /nfs/dbraw/zinc/53/67/18/522536718.db2.gz HRGUVESXFQKFOX-HNNXBMFYSA-N -1 0 427.357 3.912 50 0 IHAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCN(C)CC3)c([O-])n2n1 ZINC000022854429 522537099 /nfs/dbraw/zinc/53/70/99/522537099.db2.gz RYEOFQIGJGKCMK-HNNXBMFYSA-N -1 0 426.373 3.702 50 0 IHAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C3CCCCC3)cc1)n(C)c(=O)n2C ZINC000021042529 523020570 /nfs/dbraw/zinc/02/05/70/523020570.db2.gz SCYBUXGCPPETOM-UHFFFAOYSA-N -1 0 429.542 3.734 50 0 IHAARM COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000012381071 523527486 /nfs/dbraw/zinc/52/74/86/523527486.db2.gz ZYNRLZXEXVKEHC-VBEHJTROSA-N -1 0 441.461 3.562 50 0 IHAARM COc1ccccc1[C@H](c1sc2nc(C)nn2c1[O-])N1CCN(c2ccccc2)CC1 ZINC000022626910 524801984 /nfs/dbraw/zinc/80/19/84/524801984.db2.gz ZCDCAXQEHUFEHF-HXUWFJFHSA-N -1 0 435.553 3.725 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(Cl)c3)c2)cc1OC ZINC000021931817 525088480 /nfs/dbraw/zinc/08/84/80/525088480.db2.gz UMGKBKKMJHXABV-UHFFFAOYSA-N -1 0 447.900 3.805 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(C)c(F)c3)c2)cc1OC ZINC000021931852 525090349 /nfs/dbraw/zinc/09/03/49/525090349.db2.gz NQXKLZZJXRNRLQ-UHFFFAOYSA-N -1 0 445.472 3.599 50 0 IHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012526471 525227158 /nfs/dbraw/zinc/22/71/58/525227158.db2.gz NDFWQFCKASOPEL-UHFFFAOYSA-N -1 0 449.576 3.606 50 0 IHAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022784257 525381273 /nfs/dbraw/zinc/38/12/73/525381273.db2.gz WSCZZVYCTJGVJC-OAQYLSRUSA-N -1 0 449.580 3.721 50 0 IHAARM Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2oc1=O ZINC000252694717 525677187 /nfs/dbraw/zinc/67/71/87/525677187.db2.gz OUONAQFJFXQPST-RBSFLKMASA-N -1 0 435.904 3.838 50 0 biogenic IHAARM COc1cccc(-c2nc(C(=O)[N-]n3cnc4sc(C)c(C)c4c3=O)cs2)c1OC ZINC000012777318 525721407 /nfs/dbraw/zinc/72/14/07/525721407.db2.gz USIRBFDELXBUFI-UHFFFAOYSA-N -1 0 442.522 3.599 50 0 IHAARM Cc1c(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000238900848 525882859 /nfs/dbraw/zinc/88/28/59/525882859.db2.gz KKIRUQQQAGIULB-ULQDDVLXSA-N -1 0 441.524 3.755 50 0 IHAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1cc(C(=O)[O-])c2ccccc2n1 ZINC000012688670 526307256 /nfs/dbraw/zinc/30/72/56/526307256.db2.gz WCAOLBPKUCPBBU-UZYOAWRESA-N -1 0 431.901 3.621 50 0 IHAARM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2Cl)c1 ZINC000012507968 527322071 /nfs/dbraw/zinc/32/20/71/527322071.db2.gz BIBAXYRIRAVOQJ-UHFFFAOYSA-N -1 0 438.914 3.581 50 0 IHAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000020627829 527601951 /nfs/dbraw/zinc/60/19/51/527601951.db2.gz DITIQALVWMRXOE-UHFFFAOYSA-N -1 0 427.507 3.881 50 0 IHAARM O=C([O-])COc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000012628542 527619942 /nfs/dbraw/zinc/61/99/42/527619942.db2.gz IGCVTRDZWVUZSH-UBKPWBPPSA-N -1 0 447.852 3.769 50 0 IHAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000665735 555528335 /nfs/dbraw/zinc/52/83/35/555528335.db2.gz CEIDHFSEEGVCCF-UHFFFAOYSA-N -1 0 441.328 3.834 50 0 aggregator IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)n1 ZINC000000711926 555547402 /nfs/dbraw/zinc/54/74/02/555547402.db2.gz BKOGBKDHUHZLJF-LFYBBSHMSA-N -1 0 426.473 3.685 50 0 IHAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Br ZINC000000837399 555567367 /nfs/dbraw/zinc/56/73/67/555567367.db2.gz PSSKNHBYCBDNRL-UHFFFAOYSA-N -1 0 432.299 3.897 50 0 IHAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc2C)cc1 ZINC000000887998 555579328 /nfs/dbraw/zinc/57/93/28/555579328.db2.gz KDUUQROZVQGDTO-UHFFFAOYSA-N -1 0 440.477 3.755 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 ZINC000001047302 555611504 /nfs/dbraw/zinc/61/15/04/555611504.db2.gz AGYTYXNEJYUMMU-UHFFFAOYSA-N -1 0 434.880 3.939 50 0 IHAARM Cc1ccccc1OCc1nc2ccccc2c(=O)n1[N-]C(=O)C(Cl)(Cl)Cl ZINC000001167473 555664937 /nfs/dbraw/zinc/66/49/37/555664937.db2.gz CBMRELGJVLSOET-UHFFFAOYSA-N -1 0 426.687 3.724 50 0 IHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000001212105 555682431 /nfs/dbraw/zinc/68/24/31/555682431.db2.gz SMHCMGOSNUOMIT-JOCHJYFZSA-N -1 0 427.460 3.846 50 0 biogenic IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000001221178 555685920 /nfs/dbraw/zinc/68/59/20/555685920.db2.gz SAPQNNGAIHFCSH-YRSZXAOTSA-N -1 0 429.859 3.975 50 0 IHAARM CCCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001778109 555714304 /nfs/dbraw/zinc/71/43/04/555714304.db2.gz LBSZKPARMYDWBA-AWNIVKPZSA-N -1 0 438.509 3.718 50 0 IHAARM CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1CC(C)(C)OC2 ZINC000002476668 555783497 /nfs/dbraw/zinc/78/34/97/555783497.db2.gz HIQUIXTUNZZPLW-NEPJUHHUSA-N -1 0 441.933 3.948 50 0 IHAARM CC(C)CC(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002923981 555863476 /nfs/dbraw/zinc/86/34/76/555863476.db2.gz BUJBMVXANKABRS-ZDUSSCGKSA-N -1 0 426.753 3.530 50 0 IHAARM COc1cc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[n-]2)ccc1OCC1CCC1 ZINC000034767339 555907045 /nfs/dbraw/zinc/90/70/45/555907045.db2.gz UKHSKRAQJYSOAV-UHFFFAOYSA-N -1 0 428.533 3.527 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000004130676 555966220 /nfs/dbraw/zinc/96/62/20/555966220.db2.gz ZTYRTERFXYSEDL-UHFFFAOYSA-N -1 0 426.542 3.741 50 0 IHAARM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1Cl ZINC000004647221 556004991 /nfs/dbraw/zinc/00/49/91/556004991.db2.gz XSRRUDOHQNNLBG-CQSZACIVSA-N -1 0 446.916 3.645 50 0 IHAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCc1cccc(Cl)c1 ZINC000002975228 556153086 /nfs/dbraw/zinc/15/30/86/556153086.db2.gz TUZWGYUMWLYWJW-UHFFFAOYSA-N -1 0 431.901 3.538 50 0 IHAARM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000008722871 556203659 /nfs/dbraw/zinc/20/36/59/556203659.db2.gz IQDCFBQBGGZWPC-UHFFFAOYSA-N -1 0 440.525 3.935 50 0 IHAARM CCc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000008723368 556204098 /nfs/dbraw/zinc/20/40/98/556204098.db2.gz BREWIGUILFLOSG-CQSZACIVSA-N -1 0 431.539 3.912 50 0 IHAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2s1 ZINC000013719412 556288672 /nfs/dbraw/zinc/28/86/72/556288672.db2.gz FRYKRVIQILEQEQ-UHFFFAOYSA-N -1 0 448.957 3.775 50 0 IHAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2ON1c1ccccc1 ZINC000013787371 556309502 /nfs/dbraw/zinc/30/95/02/556309502.db2.gz QWLMNNQHHRXDKQ-PWRODBHTSA-N -1 0 432.407 3.575 50 0 IHAARM Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014186108 556385752 /nfs/dbraw/zinc/38/57/52/556385752.db2.gz ROSMHQWSRWPHBJ-UHFFFAOYSA-N -1 0 442.468 3.666 50 0 IHAARM Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1Br ZINC000013349324 556502768 /nfs/dbraw/zinc/50/27/68/556502768.db2.gz KXQHNZFVDWMWMI-OAHLLOKOSA-N -1 0 432.723 3.905 50 0 IHAARM CC[C@H](C)[C@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000013591176 556529300 /nfs/dbraw/zinc/52/93/00/556529300.db2.gz AYDBAGADUPMODO-KKSFZXQISA-N -1 0 445.510 3.881 50 0 IHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000016101281 556582999 /nfs/dbraw/zinc/58/29/99/556582999.db2.gz WRCKDEQLKQPTBP-UHFFFAOYSA-N -1 0 432.404 3.747 50 0 IHAARM O=C([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCC3)C2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000032971235 556588521 /nfs/dbraw/zinc/58/85/21/556588521.db2.gz ZUKHZCVDZLUAJB-INIZCTEOSA-N -1 0 449.598 3.559 50 0 IHAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017097114 556661173 /nfs/dbraw/zinc/66/11/73/556661173.db2.gz PSSBOJMQGNBQBN-DJQNDVTLSA-N -1 0 430.570 3.985 50 0 IHAARM O=C([O-])CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000017097368 556661696 /nfs/dbraw/zinc/66/16/96/556661696.db2.gz VXNBFYZQFYAUFL-UHFFFAOYSA-N -1 0 431.297 3.988 50 0 IHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000011906511 556671556 /nfs/dbraw/zinc/67/15/56/556671556.db2.gz VKSIKCJKQFKAII-UHFFFAOYSA-N -1 0 437.521 3.711 50 0 IHAARM O=c1cc(CSc2ccccc2[N-]S(=O)(=O)c2cccs2)nc2ccccn12 ZINC000033026354 556703235 /nfs/dbraw/zinc/70/32/35/556703235.db2.gz DKRFPICHOXHMLU-UHFFFAOYSA-N -1 0 429.548 3.849 50 0 IHAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 ZINC000033045850 556742403 /nfs/dbraw/zinc/74/24/03/556742403.db2.gz ZEBLQFGNDPJAIP-AWEZNQCLSA-N -1 0 436.555 3.543 50 0 IHAARM O=C1N[C@H](c2cccc(Br)c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000102135362 556760332 /nfs/dbraw/zinc/76/03/32/556760332.db2.gz FXQFDOMPUROYRM-YWPYICTPSA-N -1 0 449.248 3.615 50 0 IHAARM CCn1c(CNc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)nc2ccccc21 ZINC000034047430 556763075 /nfs/dbraw/zinc/76/30/75/556763075.db2.gz IRNANNICDLGFQX-UHFFFAOYSA-N -1 0 436.541 3.876 50 0 IHAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000334160531 556836651 /nfs/dbraw/zinc/83/66/51/556836651.db2.gz GVIAIERXTZLYCE-HXUWFJFHSA-N -1 0 436.899 3.874 50 0 IHAARM CCOc1ccc(-n2c3nc(SCC(=O)NC(C)C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948241 557045929 /nfs/dbraw/zinc/04/59/29/557045929.db2.gz JMGCCTNTZFCLGX-UHFFFAOYSA-N -1 0 436.584 3.520 50 0 IHAARM O=C([O-])c1cccc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc21 ZINC000585141349 557084995 /nfs/dbraw/zinc/08/49/95/557084995.db2.gz TVJPOHSEGKNADC-KYNGSXCRSA-N -1 0 425.510 3.956 50 0 IHAARM Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)c([O-])c12 ZINC000049008055 557086289 /nfs/dbraw/zinc/08/62/89/557086289.db2.gz BZBHIEIRIGOVNG-UHFFFAOYSA-N -1 0 440.308 3.865 50 0 IHAARM CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191517 557100191 /nfs/dbraw/zinc/10/01/91/557100191.db2.gz HQLKZYOEDUOGNC-UHFFFAOYSA-N -1 0 440.525 3.923 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3cccc(Cl)c3)cc2)n1 ZINC000033334038 557117339 /nfs/dbraw/zinc/11/73/39/557117339.db2.gz CUYCCFDJICRHGX-YHYXMXQVSA-N -1 0 428.901 3.891 50 0 IHAARM O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000024972734 557184053 /nfs/dbraw/zinc/18/40/53/557184053.db2.gz JCPMINRPJMLREU-UHFFFAOYSA-N -1 0 446.535 3.842 50 0 IHAARM Cc1nc([N-]c2nc3ccccc3o2)nc(C)c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000018167235 557244945 /nfs/dbraw/zinc/24/49/45/557244945.db2.gz PNXQXNNESWYTNA-UHFFFAOYSA-N -1 0 428.496 3.941 50 0 IHAARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=C(NCc1ccccc1)Nc1ccccc1 ZINC000101382495 557281968 /nfs/dbraw/zinc/28/19/68/557281968.db2.gz KBNDTEVWASUZFK-MRCUWXFGSA-N -1 0 430.439 3.522 50 0 IHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2OCC)cc1 ZINC000101836557 557302984 /nfs/dbraw/zinc/30/29/84/557302984.db2.gz UBYFVGRVCHXSDY-FQEVSTJZSA-N -1 0 448.479 3.916 50 0 IHAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)c1 ZINC000101893405 557306224 /nfs/dbraw/zinc/30/62/24/557306224.db2.gz JOXPZOPYVDLRMZ-ZWKOTPCHSA-N -1 0 436.859 3.500 50 0 IHAARM O=c1nc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)[n-]c2ccsc21 ZINC000014160124 557311803 /nfs/dbraw/zinc/31/18/03/557311803.db2.gz VRCCOMDKYDMPTF-NSHDSACASA-N -1 0 431.568 3.776 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(F)cc3)cc2)n1 ZINC000033246242 557327033 /nfs/dbraw/zinc/32/70/33/557327033.db2.gz BKOGBKDHUHZLJF-XGICHPGQSA-N -1 0 426.473 3.685 50 0 IHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5OC)oc4C)c=3c2=O)cc1 ZINC000102479195 557329918 /nfs/dbraw/zinc/32/99/18/557329918.db2.gz OBSDLCTURUGAAK-NHCUHLMSSA-N -1 0 445.479 3.714 50 0 IHAARM COc1ccccc1C(=O)N/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000033414217 557339234 /nfs/dbraw/zinc/33/92/34/557339234.db2.gz ITMAVTKBNCFQEP-MOSHPQCFSA-N -1 0 434.423 3.942 50 0 IHAARM CCc1nn2c([n-]1)nc(CSc1nc3ccc(NC(=O)C(C)(C)C)cc3s1)cc2=O ZINC000102621443 557359650 /nfs/dbraw/zinc/35/96/50/557359650.db2.gz FNFUAGHOJRGBHX-UHFFFAOYSA-N -1 0 442.570 3.867 50 0 IHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000102719891 557375569 /nfs/dbraw/zinc/37/55/69/557375569.db2.gz GMEDJQYZTZSPDH-CQSZACIVSA-N -1 0 438.896 3.784 50 0 IHAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101172415 557455738 /nfs/dbraw/zinc/45/57/38/557455738.db2.gz AUCZVAMQLCTTNC-QZTJIDSGSA-N -1 0 439.834 3.936 50 0 IHAARM CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OCC(=O)[O-] ZINC000002747299 562930101 /nfs/dbraw/zinc/93/01/01/562930101.db2.gz VYPBPMWGSUWZDT-DHDCSXOGSA-N -1 0 446.253 3.656 50 0 IHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000002949421 562931131 /nfs/dbraw/zinc/93/11/31/562931131.db2.gz ILXJLBDYUHHFTO-LJLZWOEMSA-N -1 0 438.867 3.516 50 0 IHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000000907742 568636438 /nfs/dbraw/zinc/63/64/38/568636438.db2.gz DRPOVSPJJKXTFA-FQEVSTJZSA-N -1 0 426.469 3.645 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)nc(C)n1 ZINC000000943970 568641952 /nfs/dbraw/zinc/64/19/52/568641952.db2.gz OGXWBOUVZPOKAG-UHFFFAOYSA-N -1 0 446.916 3.565 50 0 IHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1Cl ZINC000015730635 568814121 /nfs/dbraw/zinc/81/41/21/568814121.db2.gz PJARJQRGCVHLNI-SNVBAGLBSA-N -1 0 442.946 3.838 50 0 IHAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664750 568833879 /nfs/dbraw/zinc/83/38/79/568833879.db2.gz CYSLOLYXGUQXRW-UHFFFAOYSA-N -1 0 431.417 3.729 50 0 IHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000100557304 568852512 /nfs/dbraw/zinc/85/25/12/568852512.db2.gz FGUSFVWQNHUXQZ-SJLPKXTDSA-N -1 0 429.270 3.762 50 0 IHAARM C[C@H](C(=O)[O-])n1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccs1 ZINC000013009612 568899823 /nfs/dbraw/zinc/89/98/23/568899823.db2.gz SWNPJEBILKGFCT-BZNIZROVSA-N -1 0 446.529 3.903 50 0 IHAARM COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064557862 568931986 /nfs/dbraw/zinc/93/19/86/568931986.db2.gz OAYYWQHJBWSTGS-HXUWFJFHSA-N -1 0 449.484 3.805 50 0 IHAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000064774561 568953829 /nfs/dbraw/zinc/95/38/29/568953829.db2.gz VFMWPZBLQZSCMN-UHFFFAOYSA-N -1 0 441.488 3.709 50 0 IHAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)N2CCc3ccccc32)[n-]c1=O ZINC000064774590 568953835 /nfs/dbraw/zinc/95/38/35/568953835.db2.gz GNLKPGHXWHCMIX-UHFFFAOYSA-N -1 0 449.536 3.520 50 0 IHAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccc3C)c2oc1C(=O)N1CCOCC1 ZINC000065010803 569088312 /nfs/dbraw/zinc/08/83/12/569088312.db2.gz WEDWDVLGLXFTEE-UHFFFAOYSA-N -1 0 442.537 3.940 50 0 IHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)c1 ZINC000065098970 569104924 /nfs/dbraw/zinc/10/49/24/569104924.db2.gz SWAPTUNGDBNKFW-UHFFFAOYSA-N -1 0 446.554 3.842 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000065116097 569107138 /nfs/dbraw/zinc/10/71/38/569107138.db2.gz DEJNBHBKIHVUSB-UHFFFAOYSA-N -1 0 445.497 3.680 50 0 IHAARM Cc1ccc(C(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)cc1F ZINC000065260879 569124057 /nfs/dbraw/zinc/12/40/57/569124057.db2.gz IWCMVDLDQPNPMT-UHFFFAOYSA-N -1 0 436.874 3.989 50 0 IHAARM Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000170592142 569140950 /nfs/dbraw/zinc/14/09/50/569140950.db2.gz BKDOSGGSJQXHBD-QGZVFWFLSA-N -1 0 427.457 3.687 50 0 IHAARM C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000170592150 569141093 /nfs/dbraw/zinc/14/10/93/569141093.db2.gz RCPOGZMYCQNPNM-ADLMAVQZSA-N -1 0 449.276 3.649 50 0 IHAARM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cc(Br)c(Cl)cc1Cl ZINC000170609277 569144716 /nfs/dbraw/zinc/14/47/16/569144716.db2.gz ITHOBIVYDRSIKO-UHFFFAOYSA-N -1 0 449.117 3.532 50 0 IHAARM Cc1c2ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002091528 569178696 /nfs/dbraw/zinc/17/86/96/569178696.db2.gz WNSZRLFJPMFMRV-NRFANRHFSA-N -1 0 437.492 3.687 50 0 biogenic IHAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002107591 569181289 /nfs/dbraw/zinc/18/12/89/569181289.db2.gz VIGFPSLQMXRSBD-KRWDZBQOSA-N -1 0 431.510 3.720 50 0 biogenic IHAARM COc1ccc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NN2C(=O)CCCC(=O)[O-])cc1OC ZINC000252482489 569186432 /nfs/dbraw/zinc/18/64/32/569186432.db2.gz DGUKYWRUTQONJW-GOSISDBHSA-N -1 0 441.440 3.545 50 0 IHAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002153197 569187387 /nfs/dbraw/zinc/18/73/87/569187387.db2.gz LRKOUHQRTLNNGO-UZLBHIALSA-N -1 0 437.492 3.633 50 0 biogenic IHAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc1c2C ZINC000002155607 569187580 /nfs/dbraw/zinc/18/75/80/569187580.db2.gz KZRBMJCYIYDJSM-FQEVSTJZSA-N -1 0 449.459 3.525 50 0 biogenic IHAARM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cnn1-c1cccc(Br)c1 ZINC000170671244 569194653 /nfs/dbraw/zinc/19/46/53/569194653.db2.gz DXBPZEUWLSAKNH-OAHLLOKOSA-N -1 0 434.315 3.951 50 0 IHAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1ccc(Cl)c(Cl)c1 ZINC000002252969 569215010 /nfs/dbraw/zinc/21/50/10/569215010.db2.gz WBFGZJXFYVOADA-UHFFFAOYSA-N -1 0 438.274 3.980 50 0 IHAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)nc1C(F)(F)F ZINC000253429658 569267545 /nfs/dbraw/zinc/26/75/45/569267545.db2.gz UIQGOWOGSDVDKN-UHFFFAOYSA-N -1 0 426.413 3.895 50 0 IHAARM Cn1cc(S(=O)(=O)[N-]c2ccnc3c(Cl)cc(Br)cc23)nc1Cl ZINC000253433444 569269400 /nfs/dbraw/zinc/26/94/00/569269400.db2.gz XAAPRYAFCMDMDP-UHFFFAOYSA-N -1 0 436.118 3.838 50 0 IHAARM COc1ccc(Cl)cc1NC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013348691 569313122 /nfs/dbraw/zinc/31/31/22/569313122.db2.gz JESIWYRQFJVEMP-UHFFFAOYSA-N -1 0 426.907 3.974 50 0 IHAARM CCOCCCNC(=O)CCCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S ZINC000020329114 569360850 /nfs/dbraw/zinc/36/08/50/569360850.db2.gz QZCLCLZGUNXKRM-UHFFFAOYSA-N -1 0 446.573 3.652 50 0 IHAARM COc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000095950202 569376687 /nfs/dbraw/zinc/37/66/87/569376687.db2.gz NNIZZYYQAAKPEC-UHFFFAOYSA-N -1 0 446.550 3.914 50 0 IHAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccc(Cl)s2)CC4)cc1 ZINC000097161229 569403149 /nfs/dbraw/zinc/40/31/49/569403149.db2.gz HWEKEOKWVSGCKY-UHFFFAOYSA-N -1 0 440.912 3.612 50 0 IHAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000002804635 569422659 /nfs/dbraw/zinc/42/26/59/569422659.db2.gz NYKIWANPESVVSF-UHFFFAOYSA-N -1 0 434.736 3.734 50 0 IHAARM O=C([O-])CCCCn1c(=O)c2sccc2nc1SCC(=O)NCCC1=CCCCC1 ZINC000002925543 569425612 /nfs/dbraw/zinc/42/56/12/569425612.db2.gz CODCMHOVWNTCJC-UHFFFAOYSA-N -1 0 449.598 3.812 50 0 IHAARM Cn1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1 ZINC000029953378 569439782 /nfs/dbraw/zinc/43/97/82/569439782.db2.gz CWNKRZLYSPKQCW-UHFFFAOYSA-N -1 0 425.297 3.780 50 0 IHAARM CCOc1c(I)cc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000008399722 569463356 /nfs/dbraw/zinc/46/33/56/569463356.db2.gz FLQDSGNBZHNCOR-UHFFFAOYSA-N -1 0 440.237 3.843 50 0 IHAARM [O-]c1cc(Cc2ccccc2)c(I)nc1I ZINC000008951491 569489881 /nfs/dbraw/zinc/48/98/81/569489881.db2.gz LTQTWQLWIKQAPF-UHFFFAOYSA-N -1 0 437.018 3.587 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccnc(OC2CCCC2)c1 ZINC000245174458 569498016 /nfs/dbraw/zinc/49/80/16/569498016.db2.gz YNEZJLVQMQYZFS-UHFFFAOYSA-N -1 0 444.538 3.913 50 0 IHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(Br)cc2C[C@@H]1C ZINC000040450691 569506394 /nfs/dbraw/zinc/50/63/94/569506394.db2.gz CWILMRZFTACZNB-NSHDSACASA-N -1 0 441.322 3.995 50 0 IHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(Br)cc2C[C@@H]1C ZINC000040450727 569506402 /nfs/dbraw/zinc/50/64/02/569506402.db2.gz PVGCJPNJUUJGNE-JTQLQIEISA-N -1 0 427.295 3.687 50 0 IHAARM CCc1c([O-])nc(SCC(=O)Nc2ccccc2OC)n(-c2ccccc2C)c1=O ZINC000009183556 569509868 /nfs/dbraw/zinc/50/98/68/569509868.db2.gz UCLKOBMLOWMIHY-UHFFFAOYSA-N -1 0 425.510 3.548 50 0 IHAARM O=C(CCSc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009285159 569519154 /nfs/dbraw/zinc/51/91/54/569519154.db2.gz SAKMECASXFSNBM-UHFFFAOYSA-N -1 0 432.502 3.537 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)c3ccc[nH]3)nc2c1 ZINC000009468136 569538563 /nfs/dbraw/zinc/53/85/63/569538563.db2.gz QCVFRSZVGVGFEX-UHFFFAOYSA-N -1 0 443.506 3.940 50 0 IHAARM O=C(OCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000009540419 569545786 /nfs/dbraw/zinc/54/57/86/569545786.db2.gz QGDBMEGPDXPVOQ-UHFFFAOYSA-N -1 0 425.462 3.616 50 0 IHAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000009641205 569555611 /nfs/dbraw/zinc/55/56/11/569555611.db2.gz XEGSTXRFXRPDJJ-MRXNPFEDSA-N -1 0 449.532 3.863 50 0 IHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(C)n1C ZINC000009685160 569560633 /nfs/dbraw/zinc/56/06/33/569560633.db2.gz OGYQMLRRJDHLHR-UHFFFAOYSA-N -1 0 429.586 3.948 50 0 IHAARM COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000009711925 569562055 /nfs/dbraw/zinc/56/20/55/569562055.db2.gz LQTBPBVBLVZGGV-UHFFFAOYSA-N -1 0 440.521 3.743 50 0 IHAARM COc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009728882 569564249 /nfs/dbraw/zinc/56/42/49/569564249.db2.gz ROYBOOZKVHCIJY-UHFFFAOYSA-N -1 0 440.456 3.764 50 0 IHAARM O=S(=O)([N-]c1ncnc2sc(-c3ccccc3)cc21)c1ccc2c(c1)OCCO2 ZINC000009794024 569568415 /nfs/dbraw/zinc/56/84/15/569568415.db2.gz TUBBJBFUHRHXSB-UHFFFAOYSA-N -1 0 425.491 3.930 50 0 IHAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)c(C)o2)cc1 ZINC000010273717 569580265 /nfs/dbraw/zinc/58/02/65/569580265.db2.gz RIFHDKUMBFHCJL-UXHICEINSA-N -1 0 449.442 3.681 50 0 IHAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(=O)n(C)n2)c1 ZINC000010324838 569580976 /nfs/dbraw/zinc/58/09/76/569580976.db2.gz ICNKPOJIUBWYLC-UHFFFAOYSA-N -1 0 427.526 3.770 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1cccc2ncccc21 ZINC000013723111 569583515 /nfs/dbraw/zinc/58/35/15/569583515.db2.gz KKHBNNUZNMAZQB-UHFFFAOYSA-N -1 0 442.497 3.812 50 0 IHAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000006146618 193883772 /nfs/dbraw/zinc/88/37/72/193883772.db2.gz XHBWOYBJSHWOMF-UHFFFAOYSA-N -1 0 442.512 3.916 50 0 IHAARM Cc1ccc(S(=O)(=O)N2CCCc3ccc([N-]S(=O)(=O)c4cccs4)cc32)cc1 ZINC000009708657 132236906 /nfs/dbraw/zinc/23/69/06/132236906.db2.gz UXEGGQLBIMVXPJ-UHFFFAOYSA-N -1 0 448.591 3.999 50 0 IHAARM O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1 ZINC000002850412 132257620 /nfs/dbraw/zinc/25/76/20/132257620.db2.gz LSTFKHGSLWUCCH-UHFFFAOYSA-N -1 0 436.489 3.779 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C)[n-]c1=O ZINC000021882660 519713527 /nfs/dbraw/zinc/71/35/27/519713527.db2.gz LIWYLEIPZLLROY-CQSZACIVSA-N -1 0 437.525 3.939 50 0 IHAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000022077360 520618714 /nfs/dbraw/zinc/61/87/14/520618714.db2.gz UMSCBTJDCSPLBM-CMDGGOBGSA-N -1 0 434.286 3.641 50 0 IHAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(S(=O)(=O)c1ccccc1C)CC2 ZINC000021046225 520798191 /nfs/dbraw/zinc/79/81/91/520798191.db2.gz ATEBPOJZFSLGAM-GOSISDBHSA-N -1 0 433.526 3.555 50 0 IHAARM CCOc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)n[nH]2)cc1 ZINC000020849099 521114803 /nfs/dbraw/zinc/11/48/03/521114803.db2.gz SKJIKSVGKPNHTL-UHFFFAOYSA-N -1 0 428.514 3.985 50 0 IHAARM CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000012341975 522535047 /nfs/dbraw/zinc/53/50/47/522535047.db2.gz MWSINQRQSFIUKX-OAHLLOKOSA-N -1 0 426.464 3.624 50 0 IHAARM CCc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854941 522537640 /nfs/dbraw/zinc/53/76/40/522537640.db2.gz KSWPMYRFUJLFCH-GOSISDBHSA-N -1 0 427.505 3.703 50 0 IHAARM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009668838 522902767 /nfs/dbraw/zinc/90/27/67/522902767.db2.gz JTMUIBRYJJNNCE-INIZCTEOSA-N -1 0 447.538 3.749 50 0 IHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000012740747 526237042 /nfs/dbraw/zinc/23/70/42/526237042.db2.gz ZARWEZGHKGKGMG-UHFFFAOYSA-N -1 0 444.488 3.618 50 0 IHAARM O=C([O-])c1cc(/N=C2/NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)S2)ccc1Cl ZINC000096193957 526342559 /nfs/dbraw/zinc/34/25/59/526342559.db2.gz QJPHOZAEZDCLEZ-SYZQJQIISA-N -1 0 447.812 3.567 50 0 IHAARM Cc1oc(-c2cccs2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000020848872 526746997 /nfs/dbraw/zinc/74/69/97/526746997.db2.gz PNBPRRWJIYYCNL-HZPDHXFCSA-N -1 0 427.873 3.858 50 0 IHAARM Cc1nc2sc([C@H](c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023158131 527206985 /nfs/dbraw/zinc/20/69/85/527206985.db2.gz GTIVCMRNNXEBGP-KRWDZBQOSA-N -1 0 429.933 3.963 50 0 IHAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC000022757431 527287903 /nfs/dbraw/zinc/28/79/03/527287903.db2.gz YTWAUJRTRXDAGS-UHFFFAOYSA-N -1 0 445.884 3.559 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)n1 ZINC000000671137 555531263 /nfs/dbraw/zinc/53/12/63/555531263.db2.gz SMVYDFVQMHCCMF-CQSZACIVSA-N -1 0 446.916 3.645 50 0 IHAARM CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000000707841 555545381 /nfs/dbraw/zinc/54/53/81/555545381.db2.gz MRQCQNCTUKDNRE-FPAXGFGJSA-N -1 0 437.451 3.525 50 0 IHAARM O=C([O-])COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000856461 555571332 /nfs/dbraw/zinc/57/13/32/555571332.db2.gz HFCNLQNFSHEDCK-ULBZPVTCSA-N -1 0 425.440 3.547 50 0 IHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000001212102 555682529 /nfs/dbraw/zinc/68/25/29/555682529.db2.gz SMHCMGOSNUOMIT-QFIPXVFZSA-N -1 0 427.460 3.846 50 0 biogenic IHAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(OC)cc2)n(-c2ccccc2C)c1=O ZINC000001231052 555686567 /nfs/dbraw/zinc/68/65/67/555686567.db2.gz HJTVEXSJMDTOHQ-UHFFFAOYSA-N -1 0 425.510 3.548 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccco1)c1cccc2nsnc21 ZINC000002235098 555760533 /nfs/dbraw/zinc/76/05/33/555760533.db2.gz XCWUCUONIKOVHZ-UHFFFAOYSA-N -1 0 438.494 3.640 50 0 IHAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002466312 555783259 /nfs/dbraw/zinc/78/32/59/555783259.db2.gz HZROMVZXCYRKQU-UHFFFAOYSA-N -1 0 445.324 3.616 50 0 IHAARM CC(C)(C)C(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002905324 555861287 /nfs/dbraw/zinc/86/12/87/555861287.db2.gz MIABFBGYKBIRFF-LLVKDONJSA-N -1 0 426.753 3.530 50 0 IHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c(=O)[n-]2)c1 ZINC000034765049 555906075 /nfs/dbraw/zinc/90/60/75/555906075.db2.gz GYEMRUBXALGDPS-QGZVFWFLSA-N -1 0 432.524 3.939 50 0 IHAARM O=C(CCc1nnc(-c2cccc(OCC3CCC3)c2)[n-]c1=O)NCc1ccc(F)cc1 ZINC000034765760 555906408 /nfs/dbraw/zinc/90/64/08/555906408.db2.gz FZAOFVKZWHPGFD-UHFFFAOYSA-N -1 0 436.487 3.811 50 0 IHAARM O=C1N[C@@H](c2cccc(Br)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000004018789 555953167 /nfs/dbraw/zinc/95/31/67/555953167.db2.gz FXQFDOMPUROYRM-XUJVJEKNSA-N -1 0 449.248 3.615 50 0 IHAARM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000006088660 556075918 /nfs/dbraw/zinc/07/59/18/556075918.db2.gz HMZQNIPFBZYONO-GOSISDBHSA-N -1 0 429.498 3.888 50 0 IHAARM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl ZINC000006174532 556079306 /nfs/dbraw/zinc/07/93/06/556079306.db2.gz JKWCQTRLNOCYQI-UHFFFAOYSA-N -1 0 443.308 3.728 50 0 IHAARM CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(Cl)cc3Cl)c2C)cn1 ZINC000002804817 556143391 /nfs/dbraw/zinc/14/33/91/556143391.db2.gz FWSPCIUBLVZRIO-UHFFFAOYSA-N -1 0 428.345 3.872 50 0 IHAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCc1ccc(Cl)cc1 ZINC000002975239 556153164 /nfs/dbraw/zinc/15/31/64/556153164.db2.gz SJAVFZCZGRCDKB-UHFFFAOYSA-N -1 0 445.928 3.580 50 0 IHAARM O=C(NC1CCCCC1)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975453 556153635 /nfs/dbraw/zinc/15/36/35/556153635.db2.gz VARWQYBBWDELCL-UHFFFAOYSA-N -1 0 437.521 3.899 50 0 IHAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(C(=O)c4ccccc4)c3)c(Cl)cc21 ZINC000009187824 556250836 /nfs/dbraw/zinc/25/08/36/556250836.db2.gz ZXHDPKPXYZPDJG-UHFFFAOYSA-N -1 0 442.880 3.817 50 0 IHAARM COC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)c1C ZINC000032814722 556400601 /nfs/dbraw/zinc/40/06/01/556400601.db2.gz NYOOXTICPVNNJN-UHFFFAOYSA-N -1 0 433.511 3.533 50 0 IHAARM Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1 ZINC000032836328 556418295 /nfs/dbraw/zinc/41/82/95/556418295.db2.gz NOMZQRHWJXRTAV-UHFFFAOYSA-N -1 0 444.900 3.708 50 0 IHAARM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000014731685 556436721 /nfs/dbraw/zinc/43/67/21/556436721.db2.gz HBJRBLNBOHPSSW-UHFFFAOYSA-N -1 0 449.492 3.504 50 0 IHAARM CCCCCCSc1nc([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1CC ZINC000013142137 556487125 /nfs/dbraw/zinc/48/71/25/556487125.db2.gz QEJXBEVZSVGWDV-KRWDZBQOSA-N -1 0 448.541 3.918 50 0 IHAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)nn(C)c3C)ccc2OC)cc1 ZINC000029954867 556487387 /nfs/dbraw/zinc/48/73/87/556487387.db2.gz RUBFYXHIYFMZMU-UHFFFAOYSA-N -1 0 442.541 3.661 50 0 IHAARM CC[C@@H](C)[C@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000013591174 556529308 /nfs/dbraw/zinc/52/93/08/556529308.db2.gz AYDBAGADUPMODO-IERDGZPVSA-N -1 0 445.510 3.881 50 0 IHAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)cc2Cl)c1=O)CCCC3 ZINC000013610002 556534256 /nfs/dbraw/zinc/53/42/56/556534256.db2.gz ACQMQUVREUWIBZ-UHFFFAOYSA-N -1 0 439.320 3.543 50 0 IHAARM Cc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)[n-]c1=O ZINC000013637262 556541570 /nfs/dbraw/zinc/54/15/70/556541570.db2.gz WRNBIKSFALQELI-OAHLLOKOSA-N -1 0 429.889 3.602 50 0 IHAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(Br)cc2)c1 ZINC000016266916 556575458 /nfs/dbraw/zinc/57/54/58/556575458.db2.gz PWFSQNVRAFUPCS-UHFFFAOYSA-N -1 0 443.706 3.693 50 0 IHAARM CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000016122047 556584336 /nfs/dbraw/zinc/58/43/36/556584336.db2.gz WLRVHXGIEYEJAW-UHFFFAOYSA-N -1 0 441.303 3.543 50 0 IHAARM O=C([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000032971195 556588540 /nfs/dbraw/zinc/58/85/40/556588540.db2.gz PUOHDSVDRZRPEZ-UHFFFAOYSA-N -1 0 449.598 3.702 50 0 IHAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 ZINC000017096584 556660460 /nfs/dbraw/zinc/66/04/60/556660460.db2.gz QQNACVGHEMPORL-IAGOWNOFSA-N -1 0 429.542 3.773 50 0 IHAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238901128 556681866 /nfs/dbraw/zinc/68/18/66/556681866.db2.gz LCYUXNWXIFFGKV-ULQDDVLXSA-N -1 0 429.513 3.828 50 0 IHAARM O=c1[n-]c(CNc2ccc(Br)cc2)nn1Cc1ccc(OC(F)(F)F)cc1 ZINC000061718793 556725529 /nfs/dbraw/zinc/72/55/29/556725529.db2.gz AUUZIRJXKIVRQJ-UHFFFAOYSA-N -1 0 443.223 3.893 50 0 IHAARM CCCCC[C@H](NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)C(=O)OC ZINC000079026134 556737679 /nfs/dbraw/zinc/73/76/79/556737679.db2.gz WPPVDTYLVDVBKN-SFHVURJKSA-N -1 0 433.574 3.858 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000097940904 556810662 /nfs/dbraw/zinc/81/06/62/556810662.db2.gz QFKXAZKZXORLNV-UHFFFAOYSA-N -1 0 446.504 3.853 50 0 IHAARM CCc1cccc(NC(=O)N2CCc3c(nc4cc(-c5ccc(OC)cc5)[n-]n4c3=O)C2)c1 ZINC000097942019 556812788 /nfs/dbraw/zinc/81/27/88/556812788.db2.gz HKDSLXNQQNEFAY-UHFFFAOYSA-N -1 0 443.507 3.851 50 0 IHAARM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000033255728 556895044 /nfs/dbraw/zinc/89/50/44/556895044.db2.gz GLOIPCDJICTQRU-IAGOWNOFSA-N -1 0 447.944 3.519 50 0 IHAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc(NC(=O)C3CC3)cc21 ZINC000033260833 556897617 /nfs/dbraw/zinc/89/76/17/556897617.db2.gz GSHJWXVDSJKWDL-UHFFFAOYSA-N -1 0 434.471 3.747 50 0 IHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000072139177 556898968 /nfs/dbraw/zinc/89/89/68/556898968.db2.gz FEHOYYCHUGPMJK-XMMPIXPASA-N -1 0 443.547 3.799 50 0 IHAARM CCOC(=O)c1cc(CC)sc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019878576 556936175 /nfs/dbraw/zinc/93/61/75/556936175.db2.gz CRRJBMRWQSJCDD-OAHLLOKOSA-N -1 0 433.507 3.610 50 0 IHAARM O=C(c1cc2c(s1)CCCC2)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097124880 556991044 /nfs/dbraw/zinc/99/10/44/556991044.db2.gz KWYGCLOZIZIMLZ-UHFFFAOYSA-N -1 0 430.533 3.828 50 0 IHAARM COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3)CC2)c1 ZINC000023157900 557030880 /nfs/dbraw/zinc/03/08/80/557030880.db2.gz IDIXUNFOOSYCPJ-FQEVSTJZSA-N -1 0 435.553 3.725 50 0 IHAARM O=C([O-])CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(OC(F)(F)F)cc1 ZINC000017201053 557040569 /nfs/dbraw/zinc/04/05/69/557040569.db2.gz LLFZUQPWGZFTCZ-UHFFFAOYSA-N -1 0 435.383 3.942 50 0 IHAARM CCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cccs4)ccc3n2C)cc1 ZINC000033276969 557057808 /nfs/dbraw/zinc/05/78/08/557057808.db2.gz PYJRNYWQOKCUPO-UHFFFAOYSA-N -1 0 440.550 3.852 50 0 IHAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000023078017 557062134 /nfs/dbraw/zinc/06/21/34/557062134.db2.gz FHHOTDULSLQPJB-OKILXGFUSA-N -1 0 442.459 3.756 50 0 IHAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccccc3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307837 557087171 /nfs/dbraw/zinc/08/71/71/557087171.db2.gz KBFKCYHWLPGLQH-UHFFFAOYSA-N -1 0 444.582 3.733 50 0 IHAARM CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1Br ZINC000001160278 557119242 /nfs/dbraw/zinc/11/92/42/557119242.db2.gz FUXJLZAQSJOUIZ-UHFFFAOYSA-N -1 0 437.315 3.981 50 0 IHAARM COc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000014906890 557119953 /nfs/dbraw/zinc/11/99/53/557119953.db2.gz UNCRWJIJIIZNQM-UHFFFAOYSA-N -1 0 440.521 3.994 50 0 IHAARM O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000024373113 557145648 /nfs/dbraw/zinc/14/56/48/557145648.db2.gz SCBSKWKQYWCQTK-UHFFFAOYSA-N -1 0 447.303 3.888 50 0 IHAARM CCc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cnn1-c1cccc(Cl)c1 ZINC000024691694 557158747 /nfs/dbraw/zinc/15/87/47/557158747.db2.gz CCSGJCIIXUTBFA-UHFFFAOYSA-N -1 0 427.917 3.658 50 0 IHAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000024759999 557164326 /nfs/dbraw/zinc/16/43/26/557164326.db2.gz XFZNLAMWFOPGPB-UHFFFAOYSA-N -1 0 425.333 3.530 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)on3)ccc2OC)cc1 ZINC000025082655 557194877 /nfs/dbraw/zinc/19/48/77/557194877.db2.gz MFIASAXBXDLYNW-UHFFFAOYSA-N -1 0 443.481 3.622 50 0 IHAARM COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc21 ZINC000026542758 557244054 /nfs/dbraw/zinc/24/40/54/557244054.db2.gz OKDSMTUWYRWJBT-UHFFFAOYSA-N -1 0 433.795 3.823 50 0 IHAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)c(C)o2)cc1 ZINC000101111203 557256001 /nfs/dbraw/zinc/25/60/01/557256001.db2.gz RIFHDKUMBFHCJL-PMACEKPBSA-N -1 0 449.442 3.681 50 0 IHAARM CCOC(=O)Cc1csc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)n1 ZINC000100564263 557264813 /nfs/dbraw/zinc/26/48/13/557264813.db2.gz HQNKIRAWOBNMQY-UHFFFAOYSA-N -1 0 443.525 3.568 50 0 IHAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)N3CCN(c4ccccc4)CC3)s2)c1=O ZINC000101505697 557290190 /nfs/dbraw/zinc/29/01/90/557290190.db2.gz LRCRDUNVXMCALX-UHFFFAOYSA-N -1 0 439.585 3.956 50 0 IHAARM CC(C)(C)c1ccc(-c2nn3c([n-]2)nc(CN2CCN(c4ccccc4)CC2)cc3=O)cc1 ZINC000101747781 557296917 /nfs/dbraw/zinc/29/69/17/557296917.db2.gz ZDAZDJBYSLBPSC-UHFFFAOYSA-N -1 0 442.567 3.704 50 0 IHAARM O=C(Cn1nc2c3cc(F)ccc3[nH]cc-2c1=O)Nc1ccc(Br)cc1F ZINC000101801011 557298868 /nfs/dbraw/zinc/29/88/68/557298868.db2.gz SLESCXBHLPASRA-UHFFFAOYSA-N -1 0 433.212 3.509 50 0 IHAARM Cc1cccc(C)c1NC(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316769 557465454 /nfs/dbraw/zinc/46/54/54/557465454.db2.gz VVPZKMDCZGOXCX-UHFFFAOYSA-N -1 0 441.463 3.735 50 0 IHAARM Cc1cc(OCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000002120059 562925889 /nfs/dbraw/zinc/92/58/89/562925889.db2.gz PSTGDEARZKXXHK-UHFFFAOYSA-N -1 0 449.503 3.742 50 0 biogenic IHAARM CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCCCCC(=O)[O-])c12)OC(C)(C)CC3 ZINC000008876280 562965577 /nfs/dbraw/zinc/96/55/77/562965577.db2.gz HZAJZUMCJOZNEL-UHFFFAOYSA-N -1 0 445.512 3.599 50 0 biogenic IHAARM Cc1cc2c(nc(C)n([N-]C(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)c2=O)s1 ZINC000001009129 568651193 /nfs/dbraw/zinc/65/11/93/568651193.db2.gz CRXFPHNLKCKCIJ-UHFFFAOYSA-N -1 0 431.905 3.567 50 0 IHAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000015277121 568754253 /nfs/dbraw/zinc/75/42/53/568754253.db2.gz HXCOECQNAMADFY-QGZVFWFLSA-N -1 0 427.379 3.709 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ncc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000004110316 568775667 /nfs/dbraw/zinc/77/56/67/568775667.db2.gz BNRASYQZKCNWOD-UHFFFAOYSA-N -1 0 427.326 3.938 50 0 IHAARM Cc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)no1 ZINC000006146664 568846193 /nfs/dbraw/zinc/84/61/93/568846193.db2.gz WVWSOOJCJWXVNW-UHFFFAOYSA-N -1 0 436.287 3.799 50 0 IHAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)C(=O)Nc3ccc(F)cc32)cc1 ZINC000036359516 569085749 /nfs/dbraw/zinc/08/57/49/569085749.db2.gz HJUKMQBCMHQPFT-JOCHJYFZSA-N -1 0 438.436 3.841 50 0 IHAARM O=C(c1ccccc1)c1c(=O)[nH]c2c(S(=O)(=O)[O-])ccc3c2c1-c1ccccc1C3=O ZINC000036370341 569088565 /nfs/dbraw/zinc/08/85/65/569088565.db2.gz VSILCDZRMARUKX-UHFFFAOYSA-N -1 0 431.425 3.630 50 0 IHAARM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)C1 ZINC000036370382 569088581 /nfs/dbraw/zinc/08/85/81/569088581.db2.gz XWJGSEFESMLQHZ-CJNGLKHVSA-N -1 0 434.949 3.823 50 0 IHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)c1 ZINC000065098950 569104914 /nfs/dbraw/zinc/10/49/14/569104914.db2.gz AMCPZLROPFDWBU-UHFFFAOYSA-N -1 0 446.554 3.842 50 0 IHAARM CCOC(=O)c1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)c1 ZINC000065150492 569111086 /nfs/dbraw/zinc/11/10/86/569111086.db2.gz XQKQLWDPDLJFJC-NSHDSACASA-N -1 0 426.494 3.849 50 0 IHAARM Cc1ccccc1-n1c2nc(SCC(=O)NCc3ccco3)[n-]c(=O)c2sc1=S ZINC000017143744 569174621 /nfs/dbraw/zinc/17/46/21/569174621.db2.gz OAWMXERSQGHPEW-UHFFFAOYSA-N -1 0 444.563 3.815 50 0 IHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002103074 569179856 /nfs/dbraw/zinc/17/98/56/569179856.db2.gz VJQGTGBVHYGNCT-FQEVSTJZSA-N -1 0 433.460 3.819 50 0 biogenic IHAARM CSC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002121066 569183447 /nfs/dbraw/zinc/18/34/47/569183447.db2.gz SJKMGPBQAZRQMI-KRWDZBQOSA-N -1 0 431.510 3.638 50 0 biogenic IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000002122797 569183571 /nfs/dbraw/zinc/18/35/71/569183571.db2.gz QFSHCSXGJQLDEZ-UHFFFAOYSA-N -1 0 425.824 3.911 50 0 biogenic IHAARM COc1ccc2c(C)c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(=O)oc2c1C ZINC000002156287 569187603 /nfs/dbraw/zinc/18/76/03/569187603.db2.gz WPRLOPKDAKZFJM-UHFFFAOYSA-N -1 0 449.503 3.606 50 0 biogenic IHAARM COc1ccc([C@@H](NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])c2nccn2C)cc1 ZINC000078875679 569319664 /nfs/dbraw/zinc/31/96/64/569319664.db2.gz XLRCYKQZVPDJDC-JOCHJYFZSA-N -1 0 445.523 3.963 50 0 IHAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000019878620 569331547 /nfs/dbraw/zinc/33/15/47/569331547.db2.gz JTVGEXRBWIHXCH-LBPRGKRZSA-N -1 0 430.791 3.876 50 0 IHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N[C@H]3CCCC[C@H]3C)c(=O)c2cc1OCC ZINC000003010327 569435296 /nfs/dbraw/zinc/43/52/96/569435296.db2.gz NXMSWCZHSCGWBI-ZBFHGGJFSA-N -1 0 433.574 3.941 50 0 IHAARM O=C(NC(=S)N1CCc2ccccc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000003306900 569445257 /nfs/dbraw/zinc/44/52/57/569445257.db2.gz JAEMMMZTRKAYJG-UHFFFAOYSA-N -1 0 443.575 3.626 50 0 IHAARM Nc1nc2nc3ccccc3n2c(-c2cc(Br)c([O-])c(Br)c2)n1 ZINC000008710111 569470849 /nfs/dbraw/zinc/47/08/49/569470849.db2.gz JMWGILUBHOXEBH-UHFFFAOYSA-N -1 0 435.079 3.757 50 0 IHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 ZINC000008750493 569473342 /nfs/dbraw/zinc/47/33/42/569473342.db2.gz RGSDFCQOKNLDLA-UHFFFAOYSA-N -1 0 432.523 3.782 50 0 IHAARM CS(=O)(=O)[N-]c1nc(CC(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cs1 ZINC000040047352 569483752 /nfs/dbraw/zinc/48/37/52/569483752.db2.gz MEVAWVVFRCHHIX-FQEVSTJZSA-N -1 0 443.594 3.938 50 0 IHAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000040139428 569490861 /nfs/dbraw/zinc/49/08/61/569490861.db2.gz PTSCXDHKVXTJAD-QGZVFWFLSA-N -1 0 441.557 3.634 50 0 IHAARM Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)s1 ZINC000245226224 569499529 /nfs/dbraw/zinc/49/95/29/569499529.db2.gz LFKPGRILDNNERB-IUIKQTSFSA-N -1 0 446.554 3.571 50 0 IHAARM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000040450516 569506320 /nfs/dbraw/zinc/50/63/20/569506320.db2.gz UMCNERZDIFHJAG-UHFFFAOYSA-N -1 0 439.306 3.688 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)NC(=O)c2ccco2)ccc1C ZINC000009183527 569509870 /nfs/dbraw/zinc/50/98/70/569509870.db2.gz XBDGPEKQTGLGQL-UHFFFAOYSA-N -1 0 445.522 3.524 50 0 IHAARM CCN(CC)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000009510253 569542683 /nfs/dbraw/zinc/54/26/83/569542683.db2.gz JEXDZZQHDITEFI-UHFFFAOYSA-N -1 0 437.370 3.825 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(CC)cc3)c2)on1 ZINC000009637583 569554818 /nfs/dbraw/zinc/55/48/18/569554818.db2.gz GNAIJOYIBCUFTG-UHFFFAOYSA-N -1 0 430.482 3.890 50 0 IHAARM Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000000627449 132227950 /nfs/dbraw/zinc/22/79/50/132227950.db2.gz IOWZLWSWIYORIW-UXHICEINSA-N -1 0 447.535 3.563 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000004149924 132270733 /nfs/dbraw/zinc/27/07/33/132270733.db2.gz MRNAAKVQNJNZMQ-UHFFFAOYSA-N -1 0 445.548 3.757 50 0 IHAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020725229 518810767 /nfs/dbraw/zinc/81/07/67/518810767.db2.gz KCDSUMVJYGEQNF-MRXNPFEDSA-N -1 0 438.322 3.609 50 0 IHAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCCC1 ZINC000021154476 521553606 /nfs/dbraw/zinc/55/36/06/521553606.db2.gz VOZCWEIHMFFHDQ-UHFFFAOYSA-N -1 0 433.574 3.858 50 0 IHAARM CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(F)cc1 ZINC000035377886 522926329 /nfs/dbraw/zinc/92/63/29/522926329.db2.gz ZTTFNFXBCYDMDU-KRWDZBQOSA-N -1 0 441.488 3.851 50 0 IHAARM CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(F)cc1 ZINC000035377887 523086685 /nfs/dbraw/zinc/08/66/85/523086685.db2.gz ZTTFNFXBCYDMDU-QGZVFWFLSA-N -1 0 441.488 3.851 50 0 IHAARM COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(C)cc4C(=O)[O-])cc3C2=O)cc1 ZINC000012354023 524399891 /nfs/dbraw/zinc/39/98/91/524399891.db2.gz ZXYGVNWMYLPLHX-UHFFFAOYSA-N -1 0 430.416 3.755 50 0 IHAARM Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)o1 ZINC000035597479 525542372 /nfs/dbraw/zinc/54/23/72/525542372.db2.gz BHVRDUOGKZHKJV-UHFFFAOYSA-N -1 0 441.387 3.935 50 0 IHAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C)n1C ZINC000021030499 525568963 /nfs/dbraw/zinc/56/89/63/525568963.db2.gz HEJHXNWSSNNAKS-UHFFFAOYSA-N -1 0 425.501 3.593 50 0 IHAARM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4cc(C)ccc4OC)c3)cn2n1 ZINC000012441324 525655329 /nfs/dbraw/zinc/65/53/29/525655329.db2.gz JPLIPIGKDXNJNL-UHFFFAOYSA-N -1 0 438.509 3.831 50 0 IHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000012630953 526170489 /nfs/dbraw/zinc/17/04/89/526170489.db2.gz OGKQARGOVYKFBI-UHFFFAOYSA-N -1 0 440.550 3.790 50 0 IHAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000020478530 526373412 /nfs/dbraw/zinc/37/34/12/526373412.db2.gz MDYBRCHPMKMXDC-QHAWAJNXSA-N -1 0 432.407 3.575 50 0 IHAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000000809595 526398576 /nfs/dbraw/zinc/39/85/76/526398576.db2.gz JTVGEXRBWIHXCH-GFCCVEGCSA-N -1 0 430.791 3.876 50 0 IHAARM Cc1noc(C)c1CCN(C)c1ccc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000021883428 526490539 /nfs/dbraw/zinc/49/05/39/526490539.db2.gz 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IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)c1C ZINC000027580801 557266526 /nfs/dbraw/zinc/26/65/26/557266526.db2.gz ZRFDJJHJESPGOA-UHFFFAOYSA-N -1 0 438.465 4.000 50 0 IHAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCc3cccc(F)c3)Nc3ccccc3)C2=O)cc1 ZINC000101382577 557281872 /nfs/dbraw/zinc/28/18/72/557281872.db2.gz JIOZMOKMAUSEIR-DQRAZIAOSA-N -1 0 444.466 3.830 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCc4ccccc4Cl)c3=O)c2c1 ZINC000101497627 557289624 /nfs/dbraw/zinc/28/96/24/557289624.db2.gz GEGJVWRICYOTRZ-UHFFFAOYSA-N -1 0 428.901 3.519 50 0 IHAARM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000102288368 557317519 /nfs/dbraw/zinc/31/75/19/557317519.db2.gz GLOIPCDJICTQRU-IRXDYDNUSA-N -1 0 447.944 3.519 50 0 IHAARM CC(=O)C(=C([O-])c1ccccc1)C(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F ZINC000100230005 557375692 /nfs/dbraw/zinc/37/56/92/557375692.db2.gz DFPUEKSLYMPTEK-AWEZNQCLSA-N -1 0 432.320 3.763 50 0 IHAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000102763069 557380875 /nfs/dbraw/zinc/38/08/75/557380875.db2.gz MDYBRCHPMKMXDC-PWRODBHTSA-N -1 0 432.407 3.575 50 0 IHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2OC)cc1 ZINC000102810767 557393156 /nfs/dbraw/zinc/39/31/56/557393156.db2.gz SYEBVDGCSYVYCO-IBGZPJMESA-N -1 0 434.452 3.526 50 0 IHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2F)cc1 ZINC000102901373 557411361 /nfs/dbraw/zinc/41/13/61/557411361.db2.gz RJESKEVBLGCXJS-IBGZPJMESA-N -1 0 440.406 3.796 50 0 IHAARM CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@]23CCC(=O)[O-])cc1 ZINC000408525806 557414192 /nfs/dbraw/zinc/41/41/92/557414192.db2.gz MJMLUTGFLMUCGI-VWLOTQADSA-N -1 0 444.491 3.754 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000044803226 557537169 /nfs/dbraw/zinc/53/71/69/557537169.db2.gz MQLBWWIUWCCGMP-CQSZACIVSA-N -1 0 437.525 3.939 50 0 IHAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCC(C(=O)[O-])CC3)ccc2C)c(C)c1 ZINC000225455931 557724869 /nfs/dbraw/zinc/72/48/69/557724869.db2.gz HDGBIHDLGFOIBC-UHFFFAOYSA-N -1 0 444.553 3.658 50 0 IHAARM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1nnc(Nc2ccccc2)o1 ZINC000225528825 557737046 /nfs/dbraw/zinc/73/70/46/557737046.db2.gz HLEVNWALKWSUEL-UHFFFAOYSA-N -1 0 427.255 3.824 50 0 IHAARM COc1ccc([C@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000225849259 557785026 /nfs/dbraw/zinc/78/50/26/557785026.db2.gz HHGJPNYGJXQAHA-HXUWFJFHSA-N -1 0 426.469 3.645 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)ccc3C)cc2)c1C ZINC000000939891 562919664 /nfs/dbraw/zinc/91/96/64/562919664.db2.gz AGBKZABHPLNTAX-UHFFFAOYSA-N -1 0 429.498 3.727 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1C ZINC000001284929 562921151 /nfs/dbraw/zinc/92/11/51/562921151.db2.gz NSOUOARVMNBMRT-UHFFFAOYSA-N -1 0 440.275 3.700 50 0 IHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1 ZINC000008604985 562956490 /nfs/dbraw/zinc/95/64/90/562956490.db2.gz VDGIBVZXGFTNNV-UHFFFAOYSA-N -1 0 431.558 3.662 50 0 IHAARM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000009715086 562975873 /nfs/dbraw/zinc/97/58/73/562975873.db2.gz FOTWRKIBEUOHKI-UHFFFAOYSA-N -1 0 427.432 3.773 50 0 IHAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000013147499 562985345 /nfs/dbraw/zinc/98/53/45/562985345.db2.gz KBVFGQXDEVQCEJ-RWSFTLGLSA-N -1 0 437.363 3.766 50 0 IHAARM COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1OC(F)F ZINC000089471455 563180497 /nfs/dbraw/zinc/18/04/97/563180497.db2.gz QZUGWAKDPDEGJB-UHFFFAOYSA-N -1 0 432.253 3.784 50 0 IHAARM Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])s2)c(C)c1 ZINC000003291101 568745363 /nfs/dbraw/zinc/74/53/63/568745363.db2.gz PENWNSVIASGGTJ-KRWDZBQOSA-N -1 0 442.566 3.803 50 0 IHAARM C[C@@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253500178 568784441 /nfs/dbraw/zinc/78/44/41/568784441.db2.gz GHCZAUBVMUEKKP-GRHCTNOQSA-N -1 0 449.632 3.594 50 0 IHAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)cc1 ZINC000015720764 568811597 /nfs/dbraw/zinc/81/15/97/568811597.db2.gz NEOZQJFIKAJFPJ-UHFFFAOYSA-N -1 0 441.534 3.864 50 0 IHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720756 568811727 /nfs/dbraw/zinc/81/17/27/568811727.db2.gz BKCVZLAHFBNQNL-UHFFFAOYSA-N -1 0 441.534 3.611 50 0 IHAARM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)ccc2s1 ZINC000015870053 568851423 /nfs/dbraw/zinc/85/14/23/568851423.db2.gz GDWRIXWBVHCOOA-UHFFFAOYSA-N -1 0 432.527 3.712 50 0 IHAARM COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)CCCC(=O)[O-])nn32)cc1 ZINC000101797256 568856582 /nfs/dbraw/zinc/85/65/82/568856582.db2.gz NWOOUEPVGTWYRL-LJQANCHMSA-N -1 0 433.468 3.536 50 0 IHAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000016043117 568868434 /nfs/dbraw/zinc/86/84/34/568868434.db2.gz LRKOUHQRTLNNGO-OXQOHEQNSA-N -1 0 437.492 3.633 50 0 IHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br)N1CCCC1 ZINC000016121206 568871141 /nfs/dbraw/zinc/87/11/41/568871141.db2.gz FCQMUHSJJPILCD-UHFFFAOYSA-N -1 0 445.285 3.764 50 0 IHAARM COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000064580455 568934246 /nfs/dbraw/zinc/93/42/46/568934246.db2.gz QFWRRMGLIUHWGG-UHFFFAOYSA-N -1 0 439.537 3.742 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@H]2C)c(C)s1 ZINC000089582495 568938350 /nfs/dbraw/zinc/93/83/50/568938350.db2.gz DYMFRZIWAMUSBM-RNCFNFMXSA-N -1 0 435.449 3.837 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092869 568951617 /nfs/dbraw/zinc/95/16/17/568951617.db2.gz CVEHLNSJNFOZHI-WOSRLPQWSA-N -1 0 428.558 3.880 50 0 IHAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccc3)c2oc1C(=O)N1CCOCC1 ZINC000065010881 569088418 /nfs/dbraw/zinc/08/84/18/569088418.db2.gz JIEOOVHVHVWIIF-UHFFFAOYSA-N -1 0 428.510 3.631 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1OC ZINC000065116062 569107163 /nfs/dbraw/zinc/10/71/63/569107163.db2.gz VYAZMCRZNNONMA-UHFFFAOYSA-N -1 0 445.497 3.735 50 0 IHAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C/c1cccc(NC(=O)C(F)(F)F)c1 ZINC000036745036 569137465 /nfs/dbraw/zinc/13/74/65/569137465.db2.gz WMCZXSQQHRQUBW-CMDGGOBGSA-N -1 0 431.370 3.542 50 0 IHAARM Cc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013579176 569156127 /nfs/dbraw/zinc/15/61/27/569156127.db2.gz CHLPFCKZJNTYDX-UHFFFAOYSA-N -1 0 432.432 3.741 50 0 IHAARM Cc1c2ccc(OCC(=O)NCCCCCC(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002146062 569186874 /nfs/dbraw/zinc/18/68/74/569186874.db2.gz PDWXMSJURZFIPC-UHFFFAOYSA-N -1 0 437.492 3.832 50 0 biogenic IHAARM COc1ccc2c(C)c(CCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(=O)oc2c1 ZINC000002155230 569187414 /nfs/dbraw/zinc/18/74/14/569187414.db2.gz JYORQODPHAROCN-UHFFFAOYSA-N -1 0 449.503 3.688 50 0 biogenic IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)OC(C)(C)CC3 ZINC000252693390 569210912 /nfs/dbraw/zinc/21/09/12/569210912.db2.gz DEZJCSDVLJJKJA-WKILWMFISA-N -1 0 441.524 3.755 50 0 biogenic IHAARM COc1cc([C@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253471759 569282556 /nfs/dbraw/zinc/28/25/56/569282556.db2.gz ZCHPPASPAROHJN-INIZCTEOSA-N -1 0 441.411 3.691 50 0 IHAARM NC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000328600739 569318126 /nfs/dbraw/zinc/31/81/26/569318126.db2.gz ZKNNJTXXQIFNEM-UHFFFAOYSA-N -1 0 437.525 3.818 50 0 IHAARM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C1 ZINC000078814764 569319305 /nfs/dbraw/zinc/31/93/05/569319305.db2.gz ZUOSSOYNHKRFCR-TZMCWYRMSA-N -1 0 426.585 3.659 50 0 IHAARM O=C([O-])C1CCN(C(=O)c2ccc(NC(=O)c3ncoc3-c3cccs3)cc2)CC1 ZINC000095425515 569365968 /nfs/dbraw/zinc/36/59/68/569365968.db2.gz UYRKTXQGYXNLSH-UHFFFAOYSA-N -1 0 425.466 3.592 50 0 IHAARM Cc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)ccc1OCCO ZINC000096008213 569379682 /nfs/dbraw/zinc/37/96/82/569379682.db2.gz QJHFHAGEJDAHKJ-UHFFFAOYSA-N -1 0 444.484 3.558 50 0 IHAARM COc1ccc(/C=C\C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)cc1OC ZINC000096055550 569381087 /nfs/dbraw/zinc/38/10/87/569381087.db2.gz PHXWKGXDOCDJSQ-CLFYSBASSA-N -1 0 445.522 3.613 50 0 IHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)cc1 ZINC000096379719 569398240 /nfs/dbraw/zinc/39/82/40/569398240.db2.gz XWRIWCTZVIUFQF-UHFFFAOYSA-N -1 0 429.502 3.708 50 0 IHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c2cc1OCC ZINC000003010328 569435360 /nfs/dbraw/zinc/43/53/60/569435360.db2.gz NXMSWCZHSCGWBI-GDBMZVCRSA-N -1 0 433.574 3.941 50 0 IHAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000227779712 569443463 /nfs/dbraw/zinc/44/34/63/569443463.db2.gz JCKYSIBHMXJEEI-PGUXBMHVSA-N -1 0 437.363 3.766 50 0 IHAARM COc1ccc(OC)c(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)c1 ZINC000003631882 569455376 /nfs/dbraw/zinc/45/53/76/569455376.db2.gz VQSLXBLZPBZJIX-UHFFFAOYSA-N -1 0 437.477 3.596 50 0 IHAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cn1C ZINC000031668374 569457002 /nfs/dbraw/zinc/45/70/02/569457002.db2.gz DYFJWJBTFYGVRB-UHFFFAOYSA-N -1 0 427.570 3.653 50 0 IHAARM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000032072031 569459227 /nfs/dbraw/zinc/45/92/27/569459227.db2.gz GZWIQZZEZCNFAA-GOSISDBHSA-N -1 0 434.359 3.935 50 0 IHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(Br)cc21 ZINC000032124170 569460354 /nfs/dbraw/zinc/46/03/54/569460354.db2.gz QPBBRBIRYSGUNS-SFHVURJKSA-N -1 0 440.297 3.697 50 0 biogenic IHAARM CSCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000008740216 569472794 /nfs/dbraw/zinc/47/27/94/569472794.db2.gz GOJXFELDYVOARB-IFXJQAMLSA-N -1 0 441.505 3.550 50 0 biogenic IHAARM O=C([O-])c1ccc(COc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000008816943 569476856 /nfs/dbraw/zinc/47/68/56/569476856.db2.gz NRQACFXPLZIUDL-BKUYFWCQSA-N -1 0 428.469 3.734 50 0 IHAARM O=C(CCNC(=O)Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000040072721 569485969 /nfs/dbraw/zinc/48/59/69/569485969.db2.gz DJMKHBMKZBZGSN-UHFFFAOYSA-N -1 0 444.538 3.699 50 0 IHAARM CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000009144585 569507344 /nfs/dbraw/zinc/50/73/44/569507344.db2.gz YUXNFTSMRVUKGH-UYRXBGFRSA-N -1 0 443.477 3.664 50 0 IHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)c1 ZINC000009152527 569507837 /nfs/dbraw/zinc/50/78/37/569507837.db2.gz PHDAWMUNQITNDS-CQSZACIVSA-N -1 0 430.526 3.582 50 0 IHAARM CC(=O)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000009293680 569520311 /nfs/dbraw/zinc/52/03/11/569520311.db2.gz NLLYAYVSSXMHDM-ZGXDEKTJSA-N -1 0 442.446 3.981 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(Cl)nc3)ccc2OC)cc1 ZINC000009511927 569542841 /nfs/dbraw/zinc/54/28/41/569542841.db2.gz PWSXGVXMYYCMFN-UHFFFAOYSA-N -1 0 447.900 3.805 50 0 IHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1OCC ZINC000009739430 569565008 /nfs/dbraw/zinc/56/50/08/569565008.db2.gz SNMMVMPKCYCCLI-UHFFFAOYSA-N -1 0 444.509 3.808 50 0 IHAARM O=C([O-])c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)cc1 ZINC000009968700 569575912 /nfs/dbraw/zinc/57/59/12/569575912.db2.gz RQRMFZOCVUTUPW-UHFFFAOYSA-N -1 0 443.308 3.728 50 0 IHAARM COc1ccc(C[C@@H](CC(=O)Nc2ccccc2I)C(=O)[O-])cc1 ZINC000071405992 569576888 /nfs/dbraw/zinc/57/68/88/569576888.db2.gz RLSYPSDYGJPCEB-ZDUSSCGKSA-N -1 0 439.249 3.572 50 0 IHAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000000627467 132227961 /nfs/dbraw/zinc/22/79/61/132227961.db2.gz SPHPJUVESOWRIY-NHCUHLMSSA-N -1 0 447.535 3.563 50 0 IHAARM CCC(Nc1ccc(OC)cc1OC)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009245165 132310432 /nfs/dbraw/zinc/31/04/32/132310432.db2.gz MWDOLNYPJCUHGY-OBGWFSINSA-N -1 0 429.860 3.716 50 0 IHAARM O=C([O-])c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000016491442 518201733 /nfs/dbraw/zinc/20/17/33/518201733.db2.gz AEIFZLSLRXNZES-UHFFFAOYSA-N -1 0 444.896 3.872 50 0 IHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c1 ZINC000021030403 518446746 /nfs/dbraw/zinc/44/67/46/518446746.db2.gz GSOQMJMRAPKNGS-UHFFFAOYSA-N -1 0 431.558 3.517 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccn(C)n3)ccc2Cl)cc1 ZINC000012526361 521130912 /nfs/dbraw/zinc/13/09/12/521130912.db2.gz ZCACNBJSSVNAEA-UHFFFAOYSA-N -1 0 434.905 3.525 50 0 IHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 ZINC000021399569 521690244 /nfs/dbraw/zinc/69/02/44/521690244.db2.gz JBFNRRBFSMIMJY-UHFFFAOYSA-N -1 0 436.436 3.690 50 0 IHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000012536300 522448234 /nfs/dbraw/zinc/44/82/34/522448234.db2.gz FXCRIIWIRAHQTH-UHFFFAOYSA-N -1 0 440.724 3.760 50 0 IHAARM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc3c(C)nn(CC(C)C)c3s2)C1=O ZINC000012599150 523748537 /nfs/dbraw/zinc/74/85/37/523748537.db2.gz PZYBOECXBFHGGU-QFIPXVFZSA-N -1 0 439.541 3.564 50 0 IHAARM CCc1ccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000035397359 524018098 /nfs/dbraw/zinc/01/80/98/524018098.db2.gz FQAXHGLDRWMWPO-UHFFFAOYSA-N -1 0 425.510 3.779 50 0 IHAARM COc1ccc(NC(=O)CCc2c(C)noc2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012532601 524486248 /nfs/dbraw/zinc/48/62/48/524486248.db2.gz DLJQAJCUJPRTPJ-UHFFFAOYSA-N -1 0 447.488 3.811 50 0 IHAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000033078537 524564309 /nfs/dbraw/zinc/56/43/09/524564309.db2.gz OYBHBUXBPOCCEP-UHFFFAOYSA-N -1 0 431.492 3.972 50 0 IHAARM COc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012548046 524636724 /nfs/dbraw/zinc/63/67/24/524636724.db2.gz FKVHDYPOFRHDKN-UHFFFAOYSA-N -1 0 440.456 3.764 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccccc2)cc1OC ZINC000012758653 525085514 /nfs/dbraw/zinc/08/55/14/525085514.db2.gz KZKSRQJCPJPWDP-UHFFFAOYSA-N 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Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)[O-])cc2)cc1 ZINC000013124943 556475162 /nfs/dbraw/zinc/47/51/62/556475162.db2.gz ROPXGOYSHRFEBU-RCCKNPSSSA-N -1 0 437.473 3.618 50 0 IHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000015746140 556548233 /nfs/dbraw/zinc/54/82/33/556548233.db2.gz ILXJLBDYUHHFTO-HJDVLLJCSA-N -1 0 438.867 3.516 50 0 IHAARM CCOc1ccc(NC(=O)CSc2nc([O-])c(C)c(=O)n2-c2ccc(F)cc2)cc1 ZINC000015968032 556569771 /nfs/dbraw/zinc/56/97/71/556569771.db2.gz XSRHCMBLTJETMV-UHFFFAOYSA-N -1 0 429.473 3.515 50 0 IHAARM CCn1c2nc(SCC(=O)N3CCOc4ccc(C)cc43)[n-]c(=O)c2sc1=S ZINC000017056808 556654603 /nfs/dbraw/zinc/65/46/03/556654603.db2.gz JJVLBPJUBLDELQ-UHFFFAOYSA-N -1 0 434.568 3.774 50 0 IHAARM C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000062580358 556684784 /nfs/dbraw/zinc/68/47/84/556684784.db2.gz FIKQBSCZRQKJHA-MRXNPFEDSA-N -1 0 443.594 3.976 50 0 IHAARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 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Cc1ccc(-c2nc(SCC(=O)NC(C)C)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000011695912 557393380 /nfs/dbraw/zinc/39/33/80/557393380.db2.gz XSKLPBSAFZTCFJ-UHFFFAOYSA-N -1 0 429.567 3.835 50 0 IHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000102820748 557393802 /nfs/dbraw/zinc/39/38/02/557393802.db2.gz HDTFKHIUZHZVDT-HXUWFJFHSA-N -1 0 448.479 3.698 50 0 IHAARM COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205977288 557401559 /nfs/dbraw/zinc/40/15/59/557401559.db2.gz VPRZVNMEWRDUCR-CYBMUJFWSA-N -1 0 442.777 3.647 50 0 IHAARM COc1ccccc1-n1c(O)c2n(-c3ccc(C)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O ZINC000100487406 557409940 /nfs/dbraw/zinc/40/99/40/557409940.db2.gz GMEACKGFWFQHFV-FYYLOGMGSA-N -1 0 439.471 3.621 50 0 IHAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCCn2ccnc2)c1C ZINC000003234369 562933134 /nfs/dbraw/zinc/93/31/34/562933134.db2.gz NVKBEFACMKOJHF-UHFFFAOYSA-N -1 0 440.569 3.738 50 0 IHAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)c(OC)c1 ZINC000003631880 562936973 /nfs/dbraw/zinc/93/69/73/562936973.db2.gz RIJQPZLDLIRTET-UHFFFAOYSA-N -1 0 437.477 3.596 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000009493200 562972130 /nfs/dbraw/zinc/97/21/30/562972130.db2.gz AIPQAOIGPSXHOW-UHFFFAOYSA-N -1 0 441.918 3.546 50 0 IHAARM CC(NCc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000001407438 568787380 /nfs/dbraw/zinc/78/73/80/568787380.db2.gz PKENNWUSOXUMCJ-LFIBNONCSA-N -1 0 448.704 3.749 50 0 IHAARM COc1ccccc1NC(=O)C1CCN(C(=O)c2cc(C)cc(Br)c2[O-])CC1 ZINC000084074613 568791522 /nfs/dbraw/zinc/79/15/22/568791522.db2.gz QGVRTWMHQRWCAR-UHFFFAOYSA-N -1 0 447.329 3.963 50 0 IHAARM Cc1oc(-c2ccc(Cl)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000015733691 568816074 /nfs/dbraw/zinc/81/60/74/568816074.db2.gz PKPIKZQNILOOGZ-QZTJIDSGSA-N -1 0 439.834 3.936 50 0 IHAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000015953447 568859421 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O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1cccc(C(F)(F)F)c1 ZINC000009761997 569566444 /nfs/dbraw/zinc/56/64/44/569566444.db2.gz YQBXFHGUCIBLOP-UHFFFAOYSA-N -1 0 433.408 3.687 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 ZINC000009796313 569568446 /nfs/dbraw/zinc/56/84/46/569568446.db2.gz WDYXNBFCWMJJGP-UHFFFAOYSA-N -1 0 448.504 3.934 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 ZINC000009828657 569569846 /nfs/dbraw/zinc/56/98/46/569569846.db2.gz HTXYPTSSKPGZLP-UHFFFAOYSA-N -1 0 431.539 3.751 50 0 IHAARM COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3sc(C)c(C)c3C(=O)[O-])c2C)C1=O ZINC000009934867 569573817 /nfs/dbraw/zinc/57/38/17/569573817.db2.gz OVBOPDIFSRVSJO-AUWJEWJLSA-N -1 0 448.522 3.680 50 0 IHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)s1 ZINC000010381895 569581776 /nfs/dbraw/zinc/58/17/76/569581776.db2.gz VKNHBHPNUYUHFY-UHFFFAOYSA-N -1 0 445.551 3.763 50 0 IHAARM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000006088653 193878077 /nfs/dbraw/zinc/87/80/77/193878077.db2.gz YVOGANSEPCSZJH-IBGZPJMESA-N -1 0 429.498 3.888 50 0 IHAARM O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccccc1F ZINC000009569482 132321989 /nfs/dbraw/zinc/32/19/89/132321989.db2.gz XIDRTEFWAJPEPO-UHFFFAOYSA-N -1 0 446.525 3.768 50 0 IHAARM CC(C)COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCC(=O)[O-])cc1 ZINC000012382352 519762273 /nfs/dbraw/zinc/76/22/73/519762273.db2.gz HTRIXYKFHNYLAB-MOSHPQCFSA-N -1 0 444.915 3.737 50 0 IHAARM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012526108 520696087 /nfs/dbraw/zinc/69/60/87/520696087.db2.gz WRGKUXGKHJMYBF-UHFFFAOYSA-N -1 0 437.370 3.873 50 0 IHAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000020920658 520798821 /nfs/dbraw/zinc/79/88/21/520798821.db2.gz IEHPXMJRGQTAKB-LJQANCHMSA-N -1 0 433.526 3.555 50 0 IHAARM CCc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)n[nH]2)c1 ZINC000032985029 521765817 /nfs/dbraw/zinc/76/58/17/521765817.db2.gz IZYLHWOLIULXRS-UHFFFAOYSA-N -1 0 449.330 3.788 50 0 IHAARM COc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Br)c1O ZINC000020987626 521964876 /nfs/dbraw/zinc/96/48/76/521964876.db2.gz GAWOETIZTNUBFY-IZZDOVSWSA-N -1 0 443.253 3.516 50 0 IHAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCN(C)CC3)c([O-])n2n1 ZINC000022854432 522534400 /nfs/dbraw/zinc/53/44/00/522534400.db2.gz RYEOFQIGJGKCMK-OAHLLOKOSA-N -1 0 426.373 3.702 50 0 IHAARM CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000012341979 522535677 /nfs/dbraw/zinc/53/56/77/522535677.db2.gz HRGUVESXFQKFOX-OAHLLOKOSA-N -1 0 427.357 3.912 50 0 IHAARM COc1ccc(-c2cc3ncnc(Nc4ccc(C(=O)NCC(=O)[O-])cc4)c3s2)cc1 ZINC000012739563 523125511 /nfs/dbraw/zinc/12/55/11/523125511.db2.gz VVKXQFUGSKYHGP-UHFFFAOYSA-N -1 0 434.477 3.925 50 0 IHAARM COC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)COCC(=O)[O-] ZINC000017094401 524023562 /nfs/dbraw/zinc/02/35/62/524023562.db2.gz GJPWTIGTHNZYBQ-UHFFFAOYSA-N -1 0 425.462 3.908 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N(c4ccccc4)c4ccccc4)c=3c2=O)cc1 ZINC000021367259 524926594 /nfs/dbraw/zinc/92/65/94/524926594.db2.gz LLSXUAAKEFTYNQ-DHIUTWEWSA-N -1 0 439.475 3.653 50 0 IHAARM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)n[nH]2)c(C)c1 ZINC000032985027 525233412 /nfs/dbraw/zinc/23/34/12/525233412.db2.gz LZLCGSYGFBDSHE-UHFFFAOYSA-N -1 0 449.330 3.842 50 0 IHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(NCc1ccccn1)(C(F)(F)F)C(F)(F)F ZINC000020827627 525462770 /nfs/dbraw/zinc/46/27/70/525462770.db2.gz HFFRVNMMAJPNKM-UHFFFAOYSA-N -1 0 430.352 3.979 50 0 IHAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)n1C ZINC000020989789 525569681 /nfs/dbraw/zinc/56/96/81/525569681.db2.gz VMLXPFQIHHRDJY-UHFFFAOYSA-N -1 0 429.464 3.698 50 0 IHAARM Cc1cc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000012532569 525657282 /nfs/dbraw/zinc/65/72/82/525657282.db2.gz LPSUDHRGYNKPEW-UHFFFAOYSA-N -1 0 438.509 3.994 50 0 IHAARM C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238924029 525916442 /nfs/dbraw/zinc/91/64/42/525916442.db2.gz QKRZEZBFCPKTNX-MGPQQGTHSA-N -1 0 447.915 3.710 50 0 IHAARM C[C@H](Sc1nnc(-c2cccs2)n1CCC(=O)[O-])C(=O)NCCC1=CCCCC1 ZINC000012778989 526011469 /nfs/dbraw/zinc/01/14/69/526011469.db2.gz QZYUJLDHYCYHNG-AWEZNQCLSA-N -1 0 434.587 3.969 50 0 IHAARM C[C@@H](c1nnc(SCc2nc(=O)c3sccc3[n-]2)n1-c1ccc(F)cc1)N(C)C ZINC000012517184 526185771 /nfs/dbraw/zinc/18/57/71/526185771.db2.gz UNEFMMKLYZIEEK-NSHDSACASA-N -1 0 430.534 3.619 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000012630983 527257926 /nfs/dbraw/zinc/25/79/26/527257926.db2.gz SFGDUHPBSICNJG-ZDUSSCGKSA-N -1 0 449.941 3.787 50 0 IHAARM O=C(NCC(F)(F)F)c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000012508043 527553831 /nfs/dbraw/zinc/55/38/31/527553831.db2.gz JPQHKGHWOZKNFI-UHFFFAOYSA-N -1 0 437.237 3.542 50 0 IHAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1OCC ZINC000000917366 555583777 /nfs/dbraw/zinc/58/37/77/555583777.db2.gz KMQJGMLYZBJZJG-UHFFFAOYSA-N -1 0 447.538 3.994 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 ZINC000001147259 555654072 /nfs/dbraw/zinc/65/40/72/555654072.db2.gz ZHRYBHCFGGMZFJ-UHFFFAOYSA-N -1 0 442.493 3.766 50 0 IHAARM COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)c3ccncc3)cc2)c(OC)cc1Cl ZINC000001431665 555696605 /nfs/dbraw/zinc/69/66/05/555696605.db2.gz HSUGDQPCFPQULN-UHFFFAOYSA-N -1 0 432.885 3.784 50 0 IHAARM CCOc1ccc2nc([N-][C@](NC(=O)CC(C)C)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000002050517 555728952 /nfs/dbraw/zinc/72/89/52/555728952.db2.gz NDTWSNGUYGCVNQ-QGZVFWFLSA-N -1 0 433.452 3.701 50 0 IHAARM Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000002830513 555831665 /nfs/dbraw/zinc/83/16/65/555831665.db2.gz HKOOKMBWEXGDRH-YTMAHBJJSA-N -1 0 428.488 3.578 50 0 IHAARM O=C([O-])CCN1C(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2C1=O ZINC000002850599 555838947 /nfs/dbraw/zinc/83/89/47/555838947.db2.gz SLDQPXNWACFAGQ-UHFFFAOYSA-N -1 0 428.444 3.528 50 0 IHAARM COc1cc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[n-]2)ccc1OC(C)C ZINC000034765955 555906470 /nfs/dbraw/zinc/90/64/70/555906470.db2.gz IMUDWGFBMHRJRT-UHFFFAOYSA-N -1 0 436.512 3.631 50 0 IHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 ZINC000004647265 556004963 /nfs/dbraw/zinc/00/49/63/556004963.db2.gz QKYQRUVNWDITQN-IBGZPJMESA-N -1 0 439.566 3.641 50 0 IHAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccc(COc2ccc(F)cc2F)o1 ZINC000002789958 556139314 /nfs/dbraw/zinc/13/93/14/556139314.db2.gz VZSLGLPWQHDYNU-UHFFFAOYSA-N -1 0 429.404 3.519 50 0 IHAARM O=c1c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2ncn1Cc1ccccc1 ZINC000008706622 556201128 /nfs/dbraw/zinc/20/11/28/556201128.db2.gz UDSBMJCDAWSZOX-UHFFFAOYSA-N -1 0 431.926 3.961 50 0 IHAARM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000008723360 556204035 /nfs/dbraw/zinc/20/40/35/556204035.db2.gz VOYUFXTZYDOZMP-QGZVFWFLSA-N -1 0 440.525 3.609 50 0 IHAARM COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008985804 556238261 /nfs/dbraw/zinc/23/82/61/556238261.db2.gz OAZOJKNPKCHVRR-UHFFFAOYSA-N -1 0 435.552 3.927 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)no1 ZINC000008994345 556239538 /nfs/dbraw/zinc/23/95/38/556239538.db2.gz UOVLKCCRIANZNS-ZDUSSCGKSA-N -1 0 435.889 3.843 50 0 IHAARM CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000009235584 556263489 /nfs/dbraw/zinc/26/34/89/556263489.db2.gz BLJREEHPJCAEPX-UHFFFAOYSA-N -1 0 430.917 3.971 50 0 IHAARM O=C(NCc1cn2ccccc2n1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000032751590 556313393 /nfs/dbraw/zinc/31/33/93/556313393.db2.gz FBBWJFZDUONLIN-UHFFFAOYSA-N -1 0 446.941 3.780 50 0 IHAARM O=C([O-])COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000013895186 556328668 /nfs/dbraw/zinc/32/86/68/556328668.db2.gz PROYNXVBTGKBIR-MFOYZWKCSA-N -1 0 431.853 3.723 50 0 IHAARM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000014867705 556451770 /nfs/dbraw/zinc/45/17/70/556451770.db2.gz CTBGHSKIRUUJCN-UHFFFAOYSA-N -1 0 427.853 3.872 50 0 IHAARM NC(=O)COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000015082788 556501654 /nfs/dbraw/zinc/50/16/54/556501654.db2.gz ZOVAUVAZEJQFPG-OAHLLOKOSA-N -1 0 440.452 3.591 50 0 IHAARM O=S(=O)([N-]c1ccc(I)cc1)c1ccccc1OC(F)(F)F ZINC000032895333 556515156 /nfs/dbraw/zinc/51/51/56/556515156.db2.gz QRPFKMAHPGQVBU-UHFFFAOYSA-N -1 0 443.184 3.991 50 0 IHAARM CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000015836211 556555689 /nfs/dbraw/zinc/55/56/89/556555689.db2.gz HMROQDWGJRQOAZ-UHFFFAOYSA-N -1 0 440.477 3.582 50 0 IHAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C(F)(F)F ZINC000016123924 556584367 /nfs/dbraw/zinc/58/43/67/556584367.db2.gz PDFCHYNZHBPFLU-UHFFFAOYSA-N -1 0 448.488 3.681 50 0 IHAARM O=C([O-])[C@H](Cc1ccccc1)n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040396612 556639055 /nfs/dbraw/zinc/63/90/55/556639055.db2.gz OQCHAHLLUYCAHC-NRFANRHFSA-N -1 0 428.423 3.719 50 0 IHAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2ccccc2C)C1 ZINC000017097010 556660993 /nfs/dbraw/zinc/66/09/93/556660993.db2.gz BQBAMIKSJLQGJM-CQSZACIVSA-N -1 0 430.526 3.863 50 0 IHAARM CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)c1cc(Cl)c(Cl)cc1C(=O)[O-])[C@@H]3C2 ZINC000044075868 556665764 /nfs/dbraw/zinc/66/57/64/556665764.db2.gz RFABDSDXSYNRJG-QKYSMQOASA-N -1 0 432.325 3.672 50 0 IHAARM CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)[O-] ZINC000011866814 556667008 /nfs/dbraw/zinc/66/70/08/556667008.db2.gz DMWOBBWCACNISE-CMJOXMDJSA-N -1 0 437.492 3.687 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000024184117 556688761 /nfs/dbraw/zinc/68/87/61/556688761.db2.gz XLJGPXIQVBFGFM-HNNXBMFYSA-N -1 0 442.459 3.911 50 0 IHAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)cc(OC)c1O ZINC000061720639 556728078 /nfs/dbraw/zinc/72/80/78/556728078.db2.gz UZGUALKLKMLYFH-AWEZNQCLSA-N -1 0 444.390 3.651 50 0 IHAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1OC ZINC000033048040 556743388 /nfs/dbraw/zinc/74/33/88/556743388.db2.gz MFEDMZCOGFLRHY-UHFFFAOYSA-N -1 0 440.477 3.535 50 0 IHAARM Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)N3CCCCCC3)c2)cc1C(=O)[O-] ZINC000058162115 556765754 /nfs/dbraw/zinc/76/57/54/556765754.db2.gz CAOPIDWKZGVAED-UHFFFAOYSA-N -1 0 431.514 3.902 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000097940856 556811448 /nfs/dbraw/zinc/81/14/48/556811448.db2.gz TVEGUZYNWUAFQS-UHFFFAOYSA-N -1 0 448.932 3.977 50 0 IHAARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000019633831 556833755 /nfs/dbraw/zinc/83/37/55/556833755.db2.gz XOGIXLAIGDWITO-JKSUJKDBSA-N -1 0 441.505 3.914 50 0 IHAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000019643377 556838182 /nfs/dbraw/zinc/83/81/82/556838182.db2.gz CTJJDFGIBRGKMS-HUUCEWRRSA-N -1 0 445.493 3.824 50 0 IHAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000008720240 556843151 /nfs/dbraw/zinc/84/31/51/556843151.db2.gz RBWZHZASSHWSKI-UHFFFAOYSA-N -1 0 428.485 3.608 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(F)cc3)cc2)nc(C)n1 ZINC000033333796 557118334 /nfs/dbraw/zinc/11/83/34/557118334.db2.gz FVEDZYTUNMQQER-XGICHPGQSA-N -1 0 426.473 3.685 50 0 IHAARM O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000001926331 557127333 /nfs/dbraw/zinc/12/73/33/557127333.db2.gz QHTYXIVSGALSCE-UHFFFAOYSA-N -1 0 435.093 3.711 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)cc1Cl ZINC000100036778 557238612 /nfs/dbraw/zinc/23/86/12/557238612.db2.gz RMWSXCFYCONVBX-ROUUACIJSA-N -1 0 446.294 3.542 50 0 IHAARM O=C(Nc1nc2ccc(Br)cc2s1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621341 557266284 /nfs/dbraw/zinc/26/62/84/557266284.db2.gz HWECEYRGINHRDL-UHFFFAOYSA-N -1 0 442.294 3.888 50 0 IHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2OCC)cc1 ZINC000101836550 557302971 /nfs/dbraw/zinc/30/29/71/557302971.db2.gz UBYFVGRVCHXSDY-HXUWFJFHSA-N -1 0 448.479 3.916 50 0 IHAARM Cc1ccc(C2=Nc3nc([N-]S(C)(=O)=O)nn3[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101837565 557303436 /nfs/dbraw/zinc/30/34/36/557303436.db2.gz RAHDRSAOTIZMQO-MRXNPFEDSA-N -1 0 433.896 3.807 50 0 IHAARM CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@@]23CCC(=O)[O-])cc1 ZINC000408525805 557414276 /nfs/dbraw/zinc/41/42/76/557414276.db2.gz MJMLUTGFLMUCGI-RUZDIDTESA-N -1 0 444.491 3.754 50 0 IHAARM CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000103187951 557425854 /nfs/dbraw/zinc/42/58/54/557425854.db2.gz DMTOWFDANFMRDL-RJGXRXQPSA-N -1 0 442.471 3.914 50 0 IHAARM CCn1c(=O)c2ccc(C(=O)NCc3cc(F)ccc3Br)cc2[n-]c1=S ZINC000103469648 557437603 /nfs/dbraw/zinc/43/76/03/557437603.db2.gz SELKOOSIRSLTDN-UHFFFAOYSA-N -1 0 436.306 3.537 50 0 IHAARM CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C(=O)[O-])c2ccccc21 ZINC000000849898 557829480 /nfs/dbraw/zinc/82/94/80/557829480.db2.gz ANZGRBZHUYMSGD-YKUCYRFJSA-N -1 0 439.467 3.721 50 0 IHAARM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000241653309 557846804 /nfs/dbraw/zinc/84/68/04/557846804.db2.gz PUAOGMLOMOFOLN-UHFFFAOYSA-N -1 0 435.605 3.940 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)n1 ZINC000000888849 557856897 /nfs/dbraw/zinc/85/68/97/557856897.db2.gz DGFPPYFATOINMZ-UHFFFAOYSA-N -1 0 426.498 3.625 50 0 IHAARM O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000001214899 562920867 /nfs/dbraw/zinc/92/08/67/562920867.db2.gz UHEDVUATDXWBOB-UHFFFAOYSA-N -1 0 432.299 3.897 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(O)cc2)cc1 ZINC000002270608 562926712 /nfs/dbraw/zinc/92/67/12/562926712.db2.gz RRXDTGQDTGZVML-UHFFFAOYSA-N -1 0 449.492 3.838 50 0 IHAARM CCOc1cc([C@@H]2[C@@H](C(=O)[O-])c3cc(OCC)c(OCC)cc3C(=O)N2C)ccc1O ZINC000004118717 562942182 /nfs/dbraw/zinc/94/21/82/562942182.db2.gz ZWZNGKXDUVATCL-LEWJYISDSA-N -1 0 429.469 3.583 50 0 IHAARM COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccnc2Cl)c1 ZINC000008683108 562961825 /nfs/dbraw/zinc/96/18/25/562961825.db2.gz HTXIAEPHJWDLHH-UHFFFAOYSA-N -1 0 436.855 3.513 50 0 IHAARM CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000008792012 562964205 /nfs/dbraw/zinc/96/42/05/562964205.db2.gz WYKASCVGSCWCQX-VQTJNVASSA-N -1 0 441.915 3.528 50 0 biogenic IHAARM CC(C)[C@@H](CO)Nc1nc2c(ncn2C(C)C)c(Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000010254746 562978647 /nfs/dbraw/zinc/97/86/47/562978647.db2.gz ZKDXRFMOHZVXSG-OAHLLOKOSA-N -1 0 432.912 3.931 50 0 in-vivo IHAARM C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC[C@H](CC(=O)[O-])C1 ZINC000089553035 563180473 /nfs/dbraw/zinc/18/04/73/563180473.db2.gz RYNIUVHBZYNNGX-GHMZBOCLSA-N -1 0 448.155 3.725 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(F)c(F)c(F)c1F ZINC000000947139 568643539 /nfs/dbraw/zinc/64/35/39/568643539.db2.gz BEQQUJWDVPKTFR-UHFFFAOYSA-N -1 0 431.392 3.753 50 0 IHAARM CC(=O)O[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257350083 568731298 /nfs/dbraw/zinc/73/12/98/568731298.db2.gz UQDCTELYBPUWFG-YPHOOMMCSA-N -1 0 448.556 3.772 50 0 IHAARM COc1ccc(NC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CCCC2)cc1 ZINC000015827006 568840964 /nfs/dbraw/zinc/84/09/64/568840964.db2.gz AFYNHPBYBYTOMM-UHFFFAOYSA-N -1 0 427.526 3.996 50 0 IHAARM O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1n[nH]nc1[N-]S(=O)(=O)c1ccccc1 ZINC000006173448 568850956 /nfs/dbraw/zinc/85/09/56/568850956.db2.gz PVZPDNKNMWQAKN-UHFFFAOYSA-N -1 0 446.703 3.818 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253500180 568920254 /nfs/dbraw/zinc/92/02/54/568920254.db2.gz GHCZAUBVMUEKKP-SYQUZDNYSA-N -1 0 449.632 3.594 50 0 IHAARM COc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000064590166 568935138 /nfs/dbraw/zinc/93/51/38/568935138.db2.gz AQRMYJUEAGDOET-UHFFFAOYSA-N -1 0 431.492 3.972 50 0 biogenic IHAARM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000065097604 569103779 /nfs/dbraw/zinc/10/37/79/569103779.db2.gz CSUIRZUTHRKNCT-UHFFFAOYSA-N -1 0 446.554 3.760 50 0 IHAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2OC)c1 ZINC000065116021 569107147 /nfs/dbraw/zinc/10/71/47/569107147.db2.gz ROFIUYMHLHSCFY-UHFFFAOYSA-N -1 0 429.498 3.980 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000065116131 569107224 /nfs/dbraw/zinc/10/72/24/569107224.db2.gz NWFDQKDXZGOVSD-UHFFFAOYSA-N -1 0 433.461 3.811 50 0 IHAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2c(F)c(F)cc(F)c2F)cc1)C(=O)[O-] ZINC000037019045 569139577 /nfs/dbraw/zinc/13/95/77/569139577.db2.gz OIWXVJBLCQQRHS-TWGQIWQCSA-N -1 0 442.390 3.943 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c(OC)c1 ZINC000013696327 569156590 /nfs/dbraw/zinc/15/65/90/569156590.db2.gz JOLYIYPFBFCQAA-UHFFFAOYSA-N -1 0 430.526 3.584 50 0 IHAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)NCC1CCCCC1 ZINC000016848495 569164139 /nfs/dbraw/zinc/16/41/39/569164139.db2.gz UESCJMSTMGYXTH-UHFFFAOYSA-N -1 0 425.551 3.712 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCCc3ccccc3)cs2)cc1 ZINC000016848602 569164342 /nfs/dbraw/zinc/16/43/42/569164342.db2.gz KKKLEVUPSJHRSP-UHFFFAOYSA-N -1 0 429.567 3.544 50 0 IHAARM O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccs1 ZINC000017170178 569175428 /nfs/dbraw/zinc/17/54/28/569175428.db2.gz UCUDCMDJSOAWST-UHFFFAOYSA-N -1 0 440.593 3.752 50 0 IHAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002153195 569187471 /nfs/dbraw/zinc/18/74/71/569187471.db2.gz LRKOUHQRTLNNGO-JXFKEZNVSA-N -1 0 437.492 3.633 50 0 biogenic IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(-n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000015251627 569212243 /nfs/dbraw/zinc/21/22/43/569212243.db2.gz JTWVQUXHKMTRQR-UHFFFAOYSA-N -1 0 439.518 3.858 50 0 IHAARM CC[C@]1(C)Cc2c(sc3nc(SCC(=O)[O-])n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002254518 569216648 /nfs/dbraw/zinc/21/66/48/569216648.db2.gz MXMNQXMTQKGYAO-OAQYLSRUSA-N -1 0 430.551 3.924 50 0 IHAARM COc1cc(OC)c([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)cc1Cl ZINC000253426277 569267354 /nfs/dbraw/zinc/26/73/54/569267354.db2.gz YZTPEVMZHPBYRU-UHFFFAOYSA-N -1 0 442.118 3.969 50 0 IHAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)c(C)c1 ZINC000010272118 569299552 /nfs/dbraw/zinc/29/95/52/569299552.db2.gz BLKPOIYAWPEWFU-RTBURBONSA-N -1 0 430.526 3.934 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3s2)cc1 ZINC000013349096 569313208 /nfs/dbraw/zinc/31/32/08/569313208.db2.gz DRONNDRPTHJFHR-OAHLLOKOSA-N -1 0 446.554 3.706 50 0 IHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)ccc1F ZINC000078714132 569318300 /nfs/dbraw/zinc/31/83/00/569318300.db2.gz BJIKJAPXMGPCKZ-UHFFFAOYSA-N -1 0 436.848 3.952 50 0 IHAARM CC(C)Oc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000096361311 569397706 /nfs/dbraw/zinc/39/77/06/569397706.db2.gz VZLOWTOSCMDAKJ-UHFFFAOYSA-N -1 0 448.932 3.581 50 0 IHAARM COc1ccc(NC(=O)COc2ccccc2F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002621356 569411085 /nfs/dbraw/zinc/41/10/85/569411085.db2.gz BENZZXHKHRSJPY-UHFFFAOYSA-N -1 0 448.447 3.792 50 0 IHAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)NCc3ccc(C)cc3)cc2[n-]c1=S ZINC000003051775 569439275 /nfs/dbraw/zinc/43/92/75/569439275.db2.gz DFGPGZVFYDPSNM-UHFFFAOYSA-N -1 0 445.544 3.981 50 0 IHAARM COc1ccc(NC(=O)COc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003334840 569446576 /nfs/dbraw/zinc/44/65/76/569446576.db2.gz ZCWHKJCXGSDOPI-UHFFFAOYSA-N -1 0 430.457 3.653 50 0 IHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694632 569470148 /nfs/dbraw/zinc/47/01/48/569470148.db2.gz IRCOXFXHTKIHEQ-DYESRHJHSA-N -1 0 430.291 3.788 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(-c2cc(C)cc(C)c2)c1=O ZINC000009041470 569497581 /nfs/dbraw/zinc/49/75/81/569497581.db2.gz JLGWGMFMZNVPJY-QFIPXVFZSA-N -1 0 430.508 3.709 50 0 biogenic IHAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(-c2ccc(C)c(C)c2)c1=O ZINC000009045912 569498153 /nfs/dbraw/zinc/49/81/53/569498153.db2.gz FRAJFTJKAZUDOB-QFIPXVFZSA-N -1 0 430.508 3.709 50 0 biogenic IHAARM COc1ccc(NC(=O)c2ccccc2OC)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009130280 569505963 /nfs/dbraw/zinc/50/59/63/569505963.db2.gz UVQIYVRVPLQACL-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)[O-])OC1(CCCCC1)CC3 ZINC000009183938 569509889 /nfs/dbraw/zinc/50/98/89/569509889.db2.gz RIEMNBRMKOCGHZ-UHFFFAOYSA-N -1 0 427.497 3.653 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nn(CC(C)C)c3nc4ccccc4cc23)cc1 ZINC000009187822 569510442 /nfs/dbraw/zinc/51/04/42/569510442.db2.gz GBDMKDAHDMLQCG-UHFFFAOYSA-N -1 0 437.525 4.000 50 0 IHAARM COC(=O)c1ccsc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009278581 569518506 /nfs/dbraw/zinc/51/85/06/569518506.db2.gz HBQRJSCOSADHBR-UHFFFAOYSA-N -1 0 430.507 3.896 50 0 IHAARM O=C(Nc1cc(=O)nc2[n-]c(COc3ccccc3)nn21)c1ccc(Cl)cc1Cl ZINC000009319951 569522512 /nfs/dbraw/zinc/52/25/12/569522512.db2.gz VSWYCRDFYNWSEV-UHFFFAOYSA-N -1 0 430.251 3.556 50 0 IHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)c1C ZINC000009356071 569525442 /nfs/dbraw/zinc/52/54/42/569525442.db2.gz IBEVIIHFGFEWQE-UHFFFAOYSA-N -1 0 446.960 3.774 50 0 IHAARM COc1ccc(C(=O)NCc2n[n-]c(=S)n2-c2ccc(Br)cc2)cc1OC ZINC000009368564 569526673 /nfs/dbraw/zinc/52/66/73/569526673.db2.gz IGYRDMGEZACCDA-UHFFFAOYSA-N -1 0 449.330 3.640 50 0 IHAARM COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2 ZINC000009410636 569531380 /nfs/dbraw/zinc/53/13/80/569531380.db2.gz UFLCMTAAMKGDNN-LEWJYISDSA-N -1 0 430.476 3.609 50 0 IHAARM Cc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000009451187 569536406 /nfs/dbraw/zinc/53/64/06/569536406.db2.gz VIGFKPHMXYIHHT-NRFANRHFSA-N -1 0 442.475 3.716 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c(OC)c1 ZINC000009526118 569544480 /nfs/dbraw/zinc/54/44/80/569544480.db2.gz BCRCJRYPIHFMDB-UHFFFAOYSA-N -1 0 448.541 3.529 50 0 IHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(OC)c1 ZINC000009704264 569561454 /nfs/dbraw/zinc/56/14/54/569561454.db2.gz IWKUJKZVEBSLRL-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM CCOc1ccc(NC(=O)CSC2=NC(=O)C(C/C=C/c3ccccc3)C([O-])=N2)cc1 ZINC000009731607 569564644 /nfs/dbraw/zinc/56/46/44/569564644.db2.gz KVZZPAJVGWHHEW-RMKNXTFCSA-N -1 0 437.521 3.861 50 0 IHAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000000627471 132227943 /nfs/dbraw/zinc/22/79/43/132227943.db2.gz SPHPJUVESOWRIY-RTWAWAEBSA-N -1 0 447.535 3.563 50 0 IHAARM Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000000627441 132227970 /nfs/dbraw/zinc/22/79/70/132227970.db2.gz IOWZLWSWIYORIW-VQTJNVASSA-N -1 0 447.535 3.563 50 0 IHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1 ZINC000021030126 518385309 /nfs/dbraw/zinc/38/53/09/518385309.db2.gz HAFYWJLIGDWLQO-UHFFFAOYSA-N -1 0 431.558 3.517 50 0 IHAARM CCN(C)C1=C(c2c(C)[n-]n(-c3cccc(C)c3C)c2=O)C(=O)N(c2ccc(F)cc2)C1=O ZINC000035960898 520223564 /nfs/dbraw/zinc/22/35/64/520223564.db2.gz IEZUVZSQWDJLJF-UHFFFAOYSA-N -1 0 448.498 3.878 50 0 IHAARM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000012407582 520960107 /nfs/dbraw/zinc/96/01/07/520960107.db2.gz BMSREMXKTWEQPT-QFIPXVFZSA-N -1 0 437.496 3.647 50 0 IHAARM CCOc1ccccc1-c1nc(CC(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cs1 ZINC000021399597 521440294 /nfs/dbraw/zinc/44/02/94/521440294.db2.gz OSFXLVHHZZPSTK-UHFFFAOYSA-N -1 0 446.550 3.889 50 0 IHAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1c(C)nc2sc3ccccc3n2c1=O ZINC000021883935 522520824 /nfs/dbraw/zinc/52/08/24/522520824.db2.gz MWHFGYMNFIKPCS-UHFFFAOYSA-N -1 0 449.941 3.989 50 0 IHAARM CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854571 522536993 /nfs/dbraw/zinc/53/69/93/522536993.db2.gz IITLMRIIKAQMHH-OAQYLSRUSA-N -1 0 449.580 3.979 50 0 IHAARM COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000012471104 523382338 /nfs/dbraw/zinc/38/23/38/523382338.db2.gz XOTPMZATWSXGLZ-HMAPJEAMSA-N -1 0 446.459 3.812 50 0 biogenic IHAARM Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)[N-]S(=O)(=O)Oc3ccccc3)cc2)n1 ZINC000012446098 524202516 /nfs/dbraw/zinc/20/25/16/524202516.db2.gz YDSRWWCGGODGEV-UHFFFAOYSA-N -1 0 440.403 3.645 50 0 IHAARM C[C@@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000012549933 524745541 /nfs/dbraw/zinc/74/55/41/524745541.db2.gz OKOBVHGSHRFYFH-ZDUSSCGKSA-N -1 0 437.468 3.531 50 0 IHAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC000012526250 525246346 /nfs/dbraw/zinc/24/63/46/525246346.db2.gz DRUNSRDZCCHQES-UHFFFAOYSA-N -1 0 436.493 3.526 50 0 IHAARM Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000011866841 525381833 /nfs/dbraw/zinc/38/18/33/525381833.db2.gz YXBWADHCHFVGLL-QRQCRPRQSA-N -1 0 435.476 3.690 50 0 IHAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1cc(C(=O)[O-])c2ccccc2n1 ZINC000012688666 526304863 /nfs/dbraw/zinc/30/48/63/526304863.db2.gz WCAOLBPKUCPBBU-PSKZRQQASA-N -1 0 431.901 3.621 50 0 IHAARM O=C(CCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000020607762 526590763 /nfs/dbraw/zinc/59/07/63/526590763.db2.gz MBGDNYYWDPRRQT-UHFFFAOYSA-N -1 0 434.880 3.641 50 0 IHAARM O=C1[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1ccc(Cl)cc1 ZINC000022298703 527047731 /nfs/dbraw/zinc/04/77/31/527047731.db2.gz HGRYOJATKBDUHP-UHFFFAOYSA-N -1 0 448.910 3.965 50 0 IHAARM O=C([O-])COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000856463 555571312 /nfs/dbraw/zinc/57/13/12/555571312.db2.gz HFCNLQNFSHEDCK-MXXWWZHRSA-N -1 0 425.440 3.547 50 0 IHAARM CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000947474 555588189 /nfs/dbraw/zinc/58/81/89/555588189.db2.gz RINMZZVOJKRSRL-LFYBBSHMSA-N -1 0 429.523 3.995 50 0 IHAARM CCSc1nnc([N-]C(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)s1 ZINC000000978327 555592845 /nfs/dbraw/zinc/59/28/45/555592845.db2.gz RQGDHBAZXCBIQU-UHFFFAOYSA-N -1 0 431.387 3.708 50 0 IHAARM COc1ccccc1OCC(=O)Nc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1C ZINC000001119427 555636655 /nfs/dbraw/zinc/63/66/55/555636655.db2.gz FPBIOTINVRNBEP-UHFFFAOYSA-N -1 0 434.448 3.972 50 0 IHAARM CCOc1ccc(NC(=O)CSc2nc([O-])c(CC)c(=O)n2-c2ccccc2)cc1 ZINC000001177956 555670620 /nfs/dbraw/zinc/67/06/20/555670620.db2.gz ZQPLZVUKNYNDES-UHFFFAOYSA-N -1 0 425.510 3.630 50 0 IHAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000002268575 555764141 /nfs/dbraw/zinc/76/41/41/555764141.db2.gz SCKIRJLNOGYEGV-QGZVFWFLSA-N -1 0 427.379 3.709 50 0 IHAARM CC(C)(C)C(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002707028 555800708 /nfs/dbraw/zinc/80/07/08/555800708.db2.gz JXMOBCKZNZYILG-NSHDSACASA-N -1 0 426.753 3.530 50 0 IHAARM CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O ZINC000006491937 556091473 /nfs/dbraw/zinc/09/14/73/556091473.db2.gz RSPBRIIROQLIDH-WOJGMQOQSA-N -1 0 441.461 3.563 50 0 IHAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Cl)CC[C@@H](C(C)(C)C)C3 ZINC000002778004 556140721 /nfs/dbraw/zinc/14/07/21/556140721.db2.gz KECVDRKJJCEZTJ-LLVKDONJSA-N -1 0 433.965 3.688 50 0 IHAARM Cc1ccc(CNC(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002974392 556152926 /nfs/dbraw/zinc/15/29/26/556152926.db2.gz MBVSYAROCGAGSC-UHFFFAOYSA-N -1 0 439.537 3.973 50 0 IHAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCc1ccccc1Cl ZINC000002975237 556153257 /nfs/dbraw/zinc/15/32/57/556153257.db2.gz KVVAPYJFHVNLBS-UHFFFAOYSA-N -1 0 445.928 3.580 50 0 IHAARM O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1CCC1=CCCCC1 ZINC000008934973 556235436 /nfs/dbraw/zinc/23/54/36/556235436.db2.gz AAOMDFGCHMRHNN-UHFFFAOYSA-N -1 0 446.551 3.997 50 0 IHAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013721501 556290353 /nfs/dbraw/zinc/29/03/53/556290353.db2.gz INVDLUJUAWTDPB-UWJYYQICSA-N -1 0 433.888 3.548 50 0 IHAARM O=C([O-])c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000004411663 556461758 /nfs/dbraw/zinc/46/17/58/556461758.db2.gz JDKXOXBJPNVLSA-UHFFFAOYSA-N -1 0 447.900 3.657 50 0 IHAARM CC1(C)Cc2c(sc(NC(=O)N3CCN(Cc4ccccc4)CC3)c2C(=O)[O-])CO1 ZINC000013608256 556533768 /nfs/dbraw/zinc/53/37/68/556533768.db2.gz NQSICJYBEGFVSH-UHFFFAOYSA-N -1 0 429.542 3.647 50 0 IHAARM O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)[n-]c1=O)NCc1ccc(F)cc1 ZINC000034768466 556582276 /nfs/dbraw/zinc/58/22/76/556582276.db2.gz LGVXRVPJWHPGMK-UHFFFAOYSA-N -1 0 434.393 3.575 50 0 IHAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 ZINC000017096582 556660533 /nfs/dbraw/zinc/66/05/33/556660533.db2.gz QQNACVGHEMPORL-SJORKVTESA-N -1 0 429.542 3.773 50 0 IHAARM CC[C@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O)C(=O)[O-] ZINC000011866161 556665904 /nfs/dbraw/zinc/66/59/04/556665904.db2.gz YSCFPOPJRALVCE-KRWDZBQOSA-N -1 0 429.856 3.780 50 0 IHAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000018114651 556684071 /nfs/dbraw/zinc/68/40/71/556684071.db2.gz FDKZDJZNYCIBNW-SFHVURJKSA-N -1 0 435.505 3.506 50 0 IHAARM O=S(=O)([N-]c1cn2c(cccc2Br)n1)c1ccccc1Br ZINC000252509506 556691281 /nfs/dbraw/zinc/69/12/81/556691281.db2.gz YOWPVTFFNRZLBR-UHFFFAOYSA-N -1 0 431.109 3.660 50 0 IHAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc(OC)c1OC ZINC000061719641 556725809 /nfs/dbraw/zinc/72/58/09/556725809.db2.gz GMGCAJJRMLCDJW-CYBMUJFWSA-N -1 0 440.427 3.815 50 0 IHAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc1OC ZINC000061721007 556728501 /nfs/dbraw/zinc/72/85/01/556728501.db2.gz CMZWJERSTBYWSL-ZDUSSCGKSA-N -1 0 440.427 3.815 50 0 IHAARM COc1ccc(-c2nc(CC(=O)Nc3ccc(-c4nc(=O)o[n-]4)cc3)cs2)cc1OC ZINC000058179798 556770071 /nfs/dbraw/zinc/77/00/71/556770071.db2.gz SSZJOHIXMSUFKT-UHFFFAOYSA-N -1 0 438.465 3.764 50 0 IHAARM Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000058324604 556780606 /nfs/dbraw/zinc/78/06/06/556780606.db2.gz KMIQDJQYESXJTA-UHFFFAOYSA-N -1 0 428.539 3.647 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000097940885 556810447 /nfs/dbraw/zinc/81/04/47/556810447.db2.gz GCJNAMQDFXWLOM-UHFFFAOYSA-N -1 0 428.514 3.713 50 0 IHAARM COc1ccc(Cl)cc1C(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097941983 556812544 /nfs/dbraw/zinc/81/25/44/556812544.db2.gz LASJVRWBUCUITN-UHFFFAOYSA-N -1 0 434.883 3.550 50 0 IHAARM O=C(CCc1ccccc1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097942003 556812691 /nfs/dbraw/zinc/81/26/91/556812691.db2.gz LLFMUOLOLGJPRG-UHFFFAOYSA-N -1 0 432.911 3.861 50 0 IHAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)Nc2ccc(C)cc2C)CC4)cc1 ZINC000097942118 556812937 /nfs/dbraw/zinc/81/29/37/556812937.db2.gz OGZUWANPOFOLOU-UHFFFAOYSA-N -1 0 443.507 3.905 50 0 IHAARM COC(=O)c1sc2ccc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2c1OC ZINC000033123574 556864227 /nfs/dbraw/zinc/86/42/27/556864227.db2.gz BXXUAKWNJJPZJL-UHFFFAOYSA-N -1 0 448.522 3.764 50 0 IHAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)n1 ZINC000023126564 557008295 /nfs/dbraw/zinc/00/82/95/557008295.db2.gz AEJGYEDVKNVTJQ-WOJBJXKFSA-N -1 0 430.468 3.662 50 0 IHAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)c1 ZINC000049002771 557090402 /nfs/dbraw/zinc/09/04/02/557090402.db2.gz VJGFFWBKWLUTQT-MOPGFXCFSA-N -1 0 448.508 3.569 50 0 IHAARM CCOc1ccc(CNC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000049003432 557091376 /nfs/dbraw/zinc/09/13/76/557091376.db2.gz SEZODVHWPCJUNX-UHFFFAOYSA-N -1 0 448.932 3.501 50 0 IHAARM CCN1C(=O)N/C(=C\c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000033334294 557118651 /nfs/dbraw/zinc/11/86/51/557118651.db2.gz GHZGMBGVSOJGCI-YBEGLDIGSA-N -1 0 445.269 3.639 50 0 IHAARM CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(=O)[O-])N(C(=O)OCc3ccccc3)C2)CC1 ZINC000091302578 557140925 /nfs/dbraw/zinc/14/09/25/557140925.db2.gz YEINFTFLMWCTAM-GOSISDBHSA-N -1 0 432.517 3.890 50 0 IHAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000024347702 557144750 /nfs/dbraw/zinc/14/47/50/557144750.db2.gz CTEIOEDNZKAQKP-UHFFFAOYSA-N -1 0 431.341 3.787 50 0 IHAARM O=S(=O)([N-]c1cnn(C[C@H]2COc3ccccc3O2)c1)c1cccc(C(F)(F)F)c1 ZINC000206847191 557166359 /nfs/dbraw/zinc/16/63/59/557166359.db2.gz OFAGMFAGANFVTD-HNNXBMFYSA-N -1 0 439.415 3.543 50 0 IHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2ccc(C(N)=O)cc2)c1 ZINC000011240474 557227743 /nfs/dbraw/zinc/22/77/43/557227743.db2.gz LLGKZZVGRYQCEU-UHFFFAOYSA-N -1 0 438.505 3.560 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1Cl ZINC000101262198 557265304 /nfs/dbraw/zinc/26/53/04/557265304.db2.gz OYJYMSCVYWPSLS-ROUUACIJSA-N -1 0 436.859 3.500 50 0 IHAARM COc1ccc(C2=C3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3N(c3ccccc3)N2)cc1 ZINC000101362089 557276969 /nfs/dbraw/zinc/27/69/69/557276969.db2.gz FHYAABJNXLNRNY-ISKFKSNPSA-N -1 0 439.471 3.680 50 0 IHAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccccc3OC)C2)c([O-])[nH]c1=S ZINC000101495638 557289123 /nfs/dbraw/zinc/28/91/23/557289123.db2.gz ZLURRQWQQKGBKE-HNNXBMFYSA-N -1 0 430.530 3.508 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000101497644 557289528 /nfs/dbraw/zinc/28/95/28/557289528.db2.gz NDDHVRMRJDUPCL-UHFFFAOYSA-N -1 0 442.928 3.561 50 0 IHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5OC)oc4C)c=3c2=O)cc1 ZINC000102479186 557329989 /nfs/dbraw/zinc/32/99/89/557329989.db2.gz OBSDLCTURUGAAK-SFTDATJTSA-N -1 0 445.479 3.714 50 0 IHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Br ZINC000016100034 557469278 /nfs/dbraw/zinc/46/92/78/557469278.db2.gz UHQVDLPQKBSPCC-UHFFFAOYSA-N -1 0 435.093 3.711 50 0 IHAARM O=C1NC(=Cc2cc(Cl)cc(I)c2O)C(=O)N1c1ccccc1 ZINC000108830122 557543810 /nfs/dbraw/zinc/54/38/10/557543810.db2.gz WWNAJYQLKHQMJN-NTUHNPAUSA-N -1 0 440.624 3.748 50 0 IHAARM CCOC(=O)c1c(C)c(C)sc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000001779526 562924671 /nfs/dbraw/zinc/92/46/71/562924671.db2.gz FGRRWKJKTCQMOG-AWEZNQCLSA-N -1 0 433.507 3.664 50 0 IHAARM Cc1c(O[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002099124 562925787 /nfs/dbraw/zinc/92/57/87/562925787.db2.gz QVTYWGMYZTWEPJ-KKSFZXQISA-N -1 0 449.503 3.560 50 0 biogenic IHAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1cccc(C(F)(F)F)c1 ZINC000002256288 562926626 /nfs/dbraw/zinc/92/66/26/562926626.db2.gz DYLFFXXKKUJKJE-UHFFFAOYSA-N -1 0 437.381 3.692 50 0 IHAARM O=C([O-])c1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 ZINC000002994152 562931511 /nfs/dbraw/zinc/93/15/11/562931511.db2.gz AYOYWTKHJZTGNS-UHFFFAOYSA-N -1 0 448.913 3.873 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)c1C ZINC000000913167 568636627 /nfs/dbraw/zinc/63/66/27/568636627.db2.gz MTVVFDQQPJXMHN-UHFFFAOYSA-N -1 0 435.889 3.763 50 0 IHAARM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000015953446 568859394 /nfs/dbraw/zinc/85/93/94/568859394.db2.gz PNBQAVJEMKILAJ-VERVWZFWSA-N -1 0 425.481 3.884 50 0 IHAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000016043116 568868424 /nfs/dbraw/zinc/86/84/24/568868424.db2.gz LRKOUHQRTLNNGO-OXJNMPFZSA-N -1 0 437.492 3.633 50 0 IHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC)c(Br)c1 ZINC000026546318 568880314 /nfs/dbraw/zinc/88/03/14/568880314.db2.gz SYKBECZKJGBYOL-UHFFFAOYSA-N -1 0 432.267 3.574 50 0 IHAARM O=C1N[C@H](c2ccc(Br)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000225579250 568885191 /nfs/dbraw/zinc/88/51/91/568885191.db2.gz CELBTHLFXVNITK-ZOWXZIJZSA-N -1 0 449.248 3.615 50 0 IHAARM O=C([O-])c1ccc(C=NNC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000252603747 568925982 /nfs/dbraw/zinc/92/59/82/568925982.db2.gz FTMNQUYWNKKGMK-GGASWYGPSA-N -1 0 447.878 3.959 50 0 IHAARM CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000064774611 568953845 /nfs/dbraw/zinc/95/38/45/568953845.db2.gz PPNPSUKVYZXDEP-AWEZNQCLSA-N -1 0 437.525 3.958 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000064774846 568954224 /nfs/dbraw/zinc/95/42/24/568954224.db2.gz ZARAPYNTFCJQEN-UHFFFAOYSA-N -1 0 443.916 3.895 50 0 IHAARM NC(=O)COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797753 568960422 /nfs/dbraw/zinc/96/04/22/568960422.db2.gz BPTWVLLMZJCHHP-OAHLLOKOSA-N -1 0 440.452 3.591 50 0 IHAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c(C)n1C ZINC000064863262 568975293 /nfs/dbraw/zinc/97/52/93/568975293.db2.gz NWXFUKXAEQVROH-UHFFFAOYSA-N -1 0 429.336 3.690 50 0 IHAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)sc2C)c1 ZINC000065097663 569103929 /nfs/dbraw/zinc/10/39/29/569103929.db2.gz ZZZIMXITZSSXQS-UHFFFAOYSA-N -1 0 446.554 3.706 50 0 IHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000065116057 569107145 /nfs/dbraw/zinc/10/71/45/569107145.db2.gz ZZTMEEDMUGHUJA-UHFFFAOYSA-N -1 0 433.461 3.865 50 0 IHAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000065183846 569113943 /nfs/dbraw/zinc/11/39/43/569113943.db2.gz MOLQTYGSUGEQPV-UHFFFAOYSA-N -1 0 433.328 3.925 50 0 IHAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1C ZINC000065194623 569114718 /nfs/dbraw/zinc/11/47/18/569114718.db2.gz LPAQIGOVTKFJFY-UHFFFAOYSA-N -1 0 443.529 3.811 50 0 IHAARM Cc1cccc(CC(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)c1 ZINC000065260907 569124051 /nfs/dbraw/zinc/12/40/51/569124051.db2.gz WFGSQTVMAFSWFY-UHFFFAOYSA-N -1 0 432.911 3.779 50 0 IHAARM COc1cccc(C(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)c1 ZINC000065260862 569124054 /nfs/dbraw/zinc/12/40/54/569124054.db2.gz OINATFREMBNFTR-UHFFFAOYSA-N -1 0 434.883 3.550 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000065515875 569139024 /nfs/dbraw/zinc/13/90/24/569139024.db2.gz PRYRRRKNYTVPQZ-UHFFFAOYSA-N -1 0 436.230 3.625 50 0 IHAARM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000526052169 569140583 /nfs/dbraw/zinc/14/05/83/569140583.db2.gz BEYARVRWKCRIQE-UHFFFAOYSA-N -1 0 445.909 3.959 50 0 IHAARM Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000170592141 569141024 /nfs/dbraw/zinc/14/10/24/569141024.db2.gz BKDOSGGSJQXHBD-KRWDZBQOSA-N -1 0 427.457 3.687 50 0 IHAARM NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1N1CCCCC1 ZINC000170626681 569148714 /nfs/dbraw/zinc/14/87/14/569148714.db2.gz RYYAVAAHGQRUIJ-UHFFFAOYSA-N -1 0 428.341 3.883 50 0 IHAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002104075 569180051 /nfs/dbraw/zinc/18/00/51/569180051.db2.gz PNBQAVJEMKILAJ-IPQOISQHSA-N -1 0 425.481 3.884 50 0 biogenic IHAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002107273 569181142 /nfs/dbraw/zinc/18/11/42/569181142.db2.gz XTWOZEYHCOKHAC-SFHVURJKSA-N -1 0 425.481 3.947 50 0 biogenic IHAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002106217 569181172 /nfs/dbraw/zinc/18/11/72/569181172.db2.gz JCUJHHAQRQYQRF-FQEVSTJZSA-N -1 0 437.492 3.635 50 0 biogenic IHAARM COc1cc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccccc2F)cc(OC)c1OC ZINC000027528416 569263593 /nfs/dbraw/zinc/26/35/93/569263593.db2.gz SHISVVQOESYWHJ-UHFFFAOYSA-N -1 0 449.438 3.612 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccnc(OCC4CC4)c3)cc2)c1C ZINC000253407591 569265476 /nfs/dbraw/zinc/26/54/76/569265476.db2.gz WPWQGJGQHKQTBV-UHFFFAOYSA-N -1 0 442.497 3.528 50 0 IHAARM O=C([O-])CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000012941057 569305112 /nfs/dbraw/zinc/30/51/12/569305112.db2.gz MLYSETYNDSHXOC-UHFFFAOYSA-N -1 0 430.526 3.740 50 0 IHAARM CCc1ccc(-n2c3nc(SCC(=O)N4CCCC4)[n-]c(=O)c3sc2=S)cc1 ZINC000002452420 569305774 /nfs/dbraw/zinc/30/57/74/569305774.db2.gz AIKBXJRKEUSPQX-UHFFFAOYSA-N -1 0 432.596 3.782 50 0 IHAARM CCC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nnn[n-]1 ZINC000079051486 569323311 /nfs/dbraw/zinc/32/33/11/569323311.db2.gz ZVYSMJFBCXTKEJ-IBGZPJMESA-N -1 0 435.919 3.906 50 0 IHAARM COc1cc(C(=O)[O-])cc(NC(=O)c2c(Br)c3ccccc3n2C)c1OC ZINC000095424823 569365875 /nfs/dbraw/zinc/36/58/75/569365875.db2.gz UKQFFLIYIZNDFR-UHFFFAOYSA-N -1 0 433.258 3.909 50 0 IHAARM O=C(COC(=O)c1cc(Br)c([O-])c(Br)c1)Nc1cccc(F)c1 ZINC000095443963 569366851 /nfs/dbraw/zinc/36/68/51/569366851.db2.gz HHNOWBOGDLNFDE-UHFFFAOYSA-N -1 0 447.054 3.852 50 0 IHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095950226 569376646 /nfs/dbraw/zinc/37/66/46/569376646.db2.gz OUBZDBWTVGXPHO-UHFFFAOYSA-N -1 0 441.918 3.546 50 0 IHAARM Cc1oc(CN(C)C(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1C(=O)[O-] ZINC000095970412 569377382 /nfs/dbraw/zinc/37/73/82/569377382.db2.gz MTFNESSSTYYXGZ-UHFFFAOYSA-N -1 0 436.302 3.756 50 0 IHAARM COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096117131 569384023 /nfs/dbraw/zinc/38/40/23/569384023.db2.gz GKOZFRJGNWPDES-CYBMUJFWSA-N -1 0 442.777 3.647 50 0 IHAARM O=C(CC[N-]S(=O)(=O)c1c(F)cccc1F)NCc1ccccc1-c1ccsc1 ZINC000096122908 569385198 /nfs/dbraw/zinc/38/51/98/569385198.db2.gz YTJZGBHXGPCUKW-UHFFFAOYSA-N -1 0 436.505 3.678 50 0 IHAARM CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(Br)cc1 ZINC000002469104 569403932 /nfs/dbraw/zinc/40/39/32/569403932.db2.gz CYPBCNNWBXTEMM-CYBMUJFWSA-N -1 0 449.417 3.549 50 0 IHAARM Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2CC(=O)[O-])cc1 ZINC000225546574 569404205 /nfs/dbraw/zinc/40/42/05/569404205.db2.gz MYYDGSPGLOLVBF-UHFFFAOYSA-N -1 0 448.504 3.515 50 0 IHAARM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Sc1nnc(C)c(=O)[n-]1 ZINC000003323587 569446077 /nfs/dbraw/zinc/44/60/77/569446077.db2.gz NOMJJDWTMKAPFS-GFCCVEGCSA-N -1 0 444.538 3.910 50 0 IHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1Br ZINC000031721746 569457075 /nfs/dbraw/zinc/45/70/75/569457075.db2.gz JTTAXBKEKVQPQF-UHFFFAOYSA-N -1 0 444.372 3.966 50 0 IHAARM O=C1[N-]C(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694600 569470093 /nfs/dbraw/zinc/47/00/93/569470093.db2.gz DRZXBJKKIOTUEP-GCJKJVERSA-N -1 0 443.425 3.890 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc2c(s1)CCCCC2 ZINC000008720262 569471567 /nfs/dbraw/zinc/47/15/67/569471567.db2.gz OQPXFHUCXXRYLU-UHFFFAOYSA-N -1 0 428.539 3.860 50 0 IHAARM CC[C@@H](c1nnc(SCc2nc(=O)c3sccc3[n-]2)n1Cc1ccccc1)N(C)C ZINC000008768884 569474987 /nfs/dbraw/zinc/47/49/87/569474987.db2.gz XJPXMEUKIBEOPI-INIZCTEOSA-N -1 0 440.598 3.929 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@@]12C ZINC000008837270 569478272 /nfs/dbraw/zinc/47/82/72/569478272.db2.gz WVULKSPCQVQLCU-IRUZBLBPSA-N -1 0 449.632 3.594 50 0 IHAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000040139427 569490899 /nfs/dbraw/zinc/49/08/99/569490899.db2.gz PTSCXDHKVXTJAD-KRWDZBQOSA-N -1 0 441.557 3.634 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)c(OC)c1 ZINC000009152520 569507788 /nfs/dbraw/zinc/50/77/88/569507788.db2.gz NSUSOMZLOSNSCH-AWEZNQCLSA-N -1 0 430.526 3.582 50 0 IHAARM CCN1c2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)ccc2OCC(C)(C)C1=O ZINC000009170663 569509278 /nfs/dbraw/zinc/50/92/78/569509278.db2.gz MEBGUVNMZHZVFN-UHFFFAOYSA-N -1 0 432.542 3.884 50 0 IHAARM Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(S(=O)(=O)c2ccccc2)c3[O-])cc1C ZINC000009429684 569533726 /nfs/dbraw/zinc/53/37/26/569533726.db2.gz AMPIYGQXSMOSSH-UHFFFAOYSA-N -1 0 448.500 3.936 50 0 IHAARM COc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1 ZINC000009761979 569566342 /nfs/dbraw/zinc/56/63/42/569566342.db2.gz DIKKAKNJPZYKJO-UHFFFAOYSA-N -1 0 446.337 3.844 50 0 IHAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009762002 569566442 /nfs/dbraw/zinc/56/64/42/569566442.db2.gz LHBYWJBBSLTQNS-UHFFFAOYSA-N -1 0 449.407 3.566 50 0 IHAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1O ZINC000009764053 569566703 /nfs/dbraw/zinc/56/67/03/569566703.db2.gz UCCWRCVRBGHAPZ-CXUHLZMHSA-N -1 0 446.868 3.809 50 0 IHAARM COc1ccc(C[C@H](CC(=O)Nc2ccccc2I)C(=O)[O-])cc1 ZINC000071405993 569576913 /nfs/dbraw/zinc/57/69/13/569576913.db2.gz RLSYPSDYGJPCEB-CYBMUJFWSA-N -1 0 439.249 3.572 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)n1 ZINC000010381915 569581751 /nfs/dbraw/zinc/58/17/51/569581751.db2.gz GQQWZJHETMMBPM-UHFFFAOYSA-N -1 0 439.522 3.756 50 0 IHAARM Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)c1 ZINC000000627460 193861579 /nfs/dbraw/zinc/86/15/79/193861579.db2.gz ILQCJXOWVVXPGM-RTWAWAEBSA-N -1 0 447.535 3.563 50 0 IHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000001244917 132240664 /nfs/dbraw/zinc/24/06/64/132240664.db2.gz LIGOIMAYYOHCSW-WOJBJXKFSA-N -1 0 442.519 3.612 50 0 IHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000001244918 132240756 /nfs/dbraw/zinc/24/07/56/132240756.db2.gz LIGOIMAYYOHCSW-PMACEKPBSA-N -1 0 442.519 3.612 50 0 IHAARM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)N1CC(=O)Nc2ccccc21 ZINC000009356058 132314388 /nfs/dbraw/zinc/31/43/88/132314388.db2.gz CRFGWTCQBMJKSQ-UHFFFAOYSA-N -1 0 441.896 3.740 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000021882681 519713236 /nfs/dbraw/zinc/71/32/36/519713236.db2.gz PJGDDTJUPYOYKR-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CCN(CC)C1=C(c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)C(=O)N(c2cccc(C)c2)C1=O ZINC000035960804 520568528 /nfs/dbraw/zinc/56/85/28/520568528.db2.gz DNACOZIIJQAVOJ-UHFFFAOYSA-N -1 0 448.498 3.960 50 0 IHAARM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2F)CC1 ZINC000022853479 520581710 /nfs/dbraw/zinc/58/17/10/520581710.db2.gz BTBNVJKJOYMJGY-KRWDZBQOSA-N -1 0 432.521 3.562 50 0 IHAARM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)nc(C)n1 ZINC000012226318 520765812 /nfs/dbraw/zinc/76/58/12/520765812.db2.gz PXVRSCKUALEICC-UHFFFAOYSA-N -1 0 444.513 3.745 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000035378059 521228058 /nfs/dbraw/zinc/22/80/58/521228058.db2.gz QYYXLDFCZUOBMC-UHFFFAOYSA-N -1 0 437.525 3.940 50 0 IHAARM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)c1 ZINC000012521428 521991417 /nfs/dbraw/zinc/99/14/17/521991417.db2.gz FSFQKZKJYTUGFG-UHFFFAOYSA-N -1 0 440.525 3.567 50 0 IHAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000012353429 523491368 /nfs/dbraw/zinc/49/13/68/523491368.db2.gz DELYYEJQJQLFLO-UHFFFAOYSA-N -1 0 443.706 3.936 50 0 IHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000012584367 523508322 /nfs/dbraw/zinc/50/83/22/523508322.db2.gz SWTMZVPWGFDGNM-UHFFFAOYSA-N -1 0 425.304 3.607 50 0 IHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2sc3c(c2C(=O)N2CCOCC2)CCCC3)c1 ZINC000012544765 524196789 /nfs/dbraw/zinc/19/67/89/524196789.db2.gz ZJDLUXVCXVCVRG-UHFFFAOYSA-N -1 0 434.583 3.517 50 0 IHAARM COc1ccccc1NC(=O)COc1cc(Br)c(/C=C/C(=O)[O-])cc1OC ZINC000022077363 524594875 /nfs/dbraw/zinc/59/48/75/524594875.db2.gz LKCRYNLYBRUFDA-BQYQJAHWSA-N -1 0 436.258 3.582 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1C ZINC000012536193 524641525 /nfs/dbraw/zinc/64/15/25/524641525.db2.gz SJFTXKZZSGZBCT-OAQYLSRUSA-N -1 0 438.505 3.747 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCSCc2ccco2)c1 ZINC000012507825 524644036 /nfs/dbraw/zinc/64/40/36/524644036.db2.gz JHJFUHRMZFZIDB-UHFFFAOYSA-N -1 0 446.550 3.752 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(Nc2ncnc3sccc32)c1 ZINC000035684336 524645455 /nfs/dbraw/zinc/64/54/55/524645455.db2.gz WJXXRNSVLARXIZ-UHFFFAOYSA-N -1 0 428.495 3.950 50 0 IHAARM COc1ccc(OC)c(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)c1 ZINC000021931926 524868585 /nfs/dbraw/zinc/86/85/85/524868585.db2.gz LLHSRBNLQOTOPZ-UHFFFAOYSA-N -1 0 441.509 3.769 50 0 IHAARM Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1C(=O)[O-] ZINC000012552511 525594505 /nfs/dbraw/zinc/59/45/05/525594505.db2.gz RWVZYTKHARXEIB-UHFFFAOYSA-N -1 0 425.388 3.699 50 0 IHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000020762584 526304534 /nfs/dbraw/zinc/30/45/34/526304534.db2.gz RKOAFLBSWRRMHU-SFHVURJKSA-N -1 0 440.297 3.697 50 0 biogenic IHAARM [O-]c1c([C@H](c2ccc(Cl)cc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852003 526330773 /nfs/dbraw/zinc/33/07/73/526330773.db2.gz QVANZYYGECWQGS-INIZCTEOSA-N -1 0 430.917 3.956 50 0 IHAARM Cc1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)o2)s1 ZINC000035597514 526368425 /nfs/dbraw/zinc/36/84/25/526368425.db2.gz GNTWIGWPAIYVMD-UHFFFAOYSA-N -1 0 432.405 3.511 50 0 IHAARM Cc1csc2nc(COc3ccc(C)cc3[N-]S(=O)(=O)c3ccccc3)cc(=O)n12 ZINC000041089509 526455421 /nfs/dbraw/zinc/45/54/21/526455421.db2.gz PVZLTBZADYRGNZ-UHFFFAOYSA-N -1 0 441.534 3.753 50 0 IHAARM O=C(CSc1nnc(Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1)N1CCCCCC1 ZINC000012782868 527085400 /nfs/dbraw/zinc/08/54/00/527085400.db2.gz JYILHFABLWKTMA-UHFFFAOYSA-N -1 0 427.357 3.970 50 0 IHAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000012560830 527601221 /nfs/dbraw/zinc/60/12/21/527601221.db2.gz SFIMJQRSCGZLKR-UHFFFAOYSA-N -1 0 431.539 3.715 50 0 IHAARM O=C(/C=C\c1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000034868984 527656572 /nfs/dbraw/zinc/65/65/72/527656572.db2.gz NQHAOAXIXCZCKM-YHYXMXQVSA-N -1 0 448.426 3.948 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)n1 ZINC000000683110 555538475 /nfs/dbraw/zinc/53/84/75/555538475.db2.gz RUGBPODBBIJXEI-QGZVFWFLSA-N -1 0 440.525 3.609 50 0 IHAARM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000000810542 555560534 /nfs/dbraw/zinc/56/05/34/555560534.db2.gz KCSIVNDGKSYZDO-UHFFFAOYSA-N -1 0 440.525 3.529 50 0 IHAARM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000000860627 555572043 /nfs/dbraw/zinc/57/20/43/555572043.db2.gz JCZAPOCBMJVKCA-OAHLLOKOSA-N -1 0 445.497 3.507 50 0 IHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000000883483 555578308 /nfs/dbraw/zinc/57/83/08/555578308.db2.gz QTAMSELLVPPHNU-LJQANCHMSA-N -1 0 426.469 3.645 50 0 IHAARM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccnc2)cc1OCC(=O)NC1CCCCC1 ZINC000001115999 555634523 /nfs/dbraw/zinc/63/45/23/555634523.db2.gz IUIDUQOTJNLLQG-UHFFFAOYSA-N -1 0 437.949 3.672 50 0 IHAARM COc1cc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc(OC)c1OC ZINC000001169996 555665864 /nfs/dbraw/zinc/66/58/64/555665864.db2.gz UKNBTVVBRSZZNS-MKMNVTDBSA-N -1 0 426.252 3.875 50 0 IHAARM O=C([O-])c1cccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000001232193 555686896 /nfs/dbraw/zinc/68/68/96/555686896.db2.gz IUIOKZXRORJDBN-HNNXBMFYSA-N -1 0 446.743 3.798 50 0 IHAARM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001773689 555713707 /nfs/dbraw/zinc/71/37/07/555713707.db2.gz VBRXLRRLQYJRBK-UHFFFAOYSA-N -1 0 446.916 3.729 50 0 IHAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000002539579 555786453 /nfs/dbraw/zinc/78/64/53/555786453.db2.gz HOIIDGIJEPOSLL-INIZCTEOSA-N -1 0 426.469 3.756 50 0 IHAARM Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(=O)(=O)c2ccccc2)cc1C ZINC000002980122 555871807 /nfs/dbraw/zinc/87/18/07/555871807.db2.gz UGBWGCJFFUFHGN-UHFFFAOYSA-N -1 0 438.505 3.836 50 0 IHAARM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000006088659 556075885 /nfs/dbraw/zinc/07/58/85/556075885.db2.gz YVOGANSEPCSZJH-LJQANCHMSA-N -1 0 429.498 3.888 50 0 IHAARM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000006088661 556075948 /nfs/dbraw/zinc/07/59/48/556075948.db2.gz NAAXUAVLJVVTJO-HXUWFJFHSA-N -1 0 440.525 3.690 50 0 IHAARM CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000006491944 556091413 /nfs/dbraw/zinc/09/14/13/556091413.db2.gz XYSBXWHOPFBPGQ-OVCLIPMQSA-N -1 0 435.841 3.898 50 0 IHAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000008656515 556197343 /nfs/dbraw/zinc/19/73/43/556197343.db2.gz ALPRTWDWEWNFAV-NRFANRHFSA-N -1 0 440.546 3.984 50 0 IHAARM Cc1c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc(=O)c1CC(=O)Nc1nnn[n-]1 ZINC000009183774 556250256 /nfs/dbraw/zinc/25/02/56/556250256.db2.gz RACCHXVMJIRZDO-UHFFFAOYSA-N -1 0 435.827 3.862 50 0 IHAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013721506 556290252 /nfs/dbraw/zinc/29/02/52/556290252.db2.gz INVDLUJUAWTDPB-UTKZUKDTSA-N -1 0 433.888 3.548 50 0 IHAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)c(C)c1 ZINC000010272117 556328777 /nfs/dbraw/zinc/32/87/77/556328777.db2.gz BLKPOIYAWPEWFU-OALUTQOASA-N -1 0 430.526 3.934 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2cccs2)on1 ZINC000027991837 556439970 /nfs/dbraw/zinc/43/99/70/556439970.db2.gz OEXRQNGKOBLTGX-UHFFFAOYSA-N -1 0 432.508 3.913 50 0 IHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c1 ZINC000028813322 556461309 /nfs/dbraw/zinc/46/13/09/556461309.db2.gz KEPZAXICKBKIGE-UHFFFAOYSA-N -1 0 445.518 3.938 50 0 IHAARM NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000015082786 556501687 /nfs/dbraw/zinc/50/16/87/556501687.db2.gz ZOVAUVAZEJQFPG-HNNXBMFYSA-N -1 0 440.452 3.591 50 0 IHAARM COc1ccc(-n2c(=O)c3c(nc2SCC(=O)[O-])sc2c3C[C@@H](C(C)C)OC2)cc1 ZINC000013552513 556515216 /nfs/dbraw/zinc/51/52/16/556515216.db2.gz ZJRVXOQYTFKFOB-HNNXBMFYSA-N -1 0 446.550 3.730 50 0 IHAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1OC ZINC000032962101 556580432 /nfs/dbraw/zinc/58/04/32/556580432.db2.gz LDDJVYQFOGGNJA-UHFFFAOYSA-N -1 0 434.514 3.583 50 0 IHAARM COc1ccccc1Cc1nnc(CCC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)[n-]1 ZINC000034768285 556582212 /nfs/dbraw/zinc/58/22/12/556582212.db2.gz WSYQFRWYJGULHZ-UHFFFAOYSA-N -1 0 446.551 3.591 50 0 IHAARM CC(C)(C)OC(=O)NC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000039778393 556630201 /nfs/dbraw/zinc/63/02/01/556630201.db2.gz KUNBFIUWYNXGCJ-HNNXBMFYSA-N -1 0 440.496 3.893 50 0 IHAARM Cc1cc(=O)c(C2=NCCS[C@@H](c3cccc(I)c3)C2)c([O-])o1 ZINC000409414636 556640197 /nfs/dbraw/zinc/64/01/97/556640197.db2.gz ZCHSAECIOQBFNF-OAHLLOKOSA-N -1 0 441.290 3.926 50 0 IHAARM CCCCCNC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000017016502 556653053 /nfs/dbraw/zinc/65/30/53/556653053.db2.gz JFRSDBGUSCSPGT-UHFFFAOYSA-N -1 0 432.112 3.679 50 0 IHAARM COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000017100253 556665215 /nfs/dbraw/zinc/66/52/15/556665215.db2.gz DAWPUDBSOLAEMD-MNOVXSKESA-N -1 0 436.511 3.678 50 0 IHAARM Cc1oc2cc(OCC(=O)NCCCC(=O)[O-])ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000011866044 556665646 /nfs/dbraw/zinc/66/56/46/556665646.db2.gz UVMGWVQDJRURTE-UHFFFAOYSA-N -1 0 429.856 3.782 50 0 IHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000013696629 556712543 /nfs/dbraw/zinc/71/25/43/556712543.db2.gz MDSGCKOQXRTIMZ-UHFFFAOYSA-N -1 0 432.885 3.945 50 0 IHAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2C)cc1 ZINC000001196902 556768056 /nfs/dbraw/zinc/76/80/56/556768056.db2.gz IIUUXMZFCBEOOK-UHFFFAOYSA-N -1 0 440.477 3.755 50 0 IHAARM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000058703177 556791252 /nfs/dbraw/zinc/79/12/52/556791252.db2.gz YNIRCSWYXWRPTD-OLZOCXBDSA-N -1 0 426.897 3.529 50 0 IHAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC1CC1 ZINC000002642948 556801888 /nfs/dbraw/zinc/80/18/88/556801888.db2.gz DZBFRGZAYJHQPS-UHFFFAOYSA-N -1 0 444.553 3.529 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)no1 ZINC000003274059 556807813 /nfs/dbraw/zinc/80/78/13/556807813.db2.gz BHRWTFQNLKVJOP-UHFFFAOYSA-N -1 0 443.506 3.738 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000097940903 556810760 /nfs/dbraw/zinc/81/07/60/556810760.db2.gz MTZUQLXIFZLOFK-UHFFFAOYSA-N -1 0 446.504 3.853 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)ccc1F ZINC000064591901 556825416 /nfs/dbraw/zinc/82/54/16/556825416.db2.gz WIAMSHHVAWHNHJ-UHFFFAOYSA-N -1 0 441.484 3.918 50 0 IHAARM CCC(=O)Nc1ccc2nc(N3CCN(Cc4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260750 556897574 /nfs/dbraw/zinc/89/75/74/556897574.db2.gz YFOZLXNJNGUWGT-UHFFFAOYSA-N -1 0 436.487 3.743 50 0 IHAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)cc1 ZINC000019854604 556931123 /nfs/dbraw/zinc/93/11/23/556931123.db2.gz PTLPLXYVOITDQV-HNNXBMFYSA-N -1 0 449.319 3.997 50 0 IHAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CCC2 ZINC000000673067 557114434 /nfs/dbraw/zinc/11/44/34/557114434.db2.gz XPRSOEYQVBCIIE-UHFFFAOYSA-N -1 0 430.345 3.977 50 0 IHAARM O=S(=O)([N-]c1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1cccs1 ZINC000012237574 557120624 /nfs/dbraw/zinc/12/06/24/557120624.db2.gz WLRUOAGPMRBFLG-UHFFFAOYSA-N -1 0 434.506 3.716 50 0 IHAARM COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000009113868 557182176 /nfs/dbraw/zinc/18/21/76/557182176.db2.gz MQHAGTZXLNQTLB-RUDMXATFSA-N -1 0 435.299 3.682 50 0 IHAARM O=C([O-])c1ccc(CC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000072242474 557215591 /nfs/dbraw/zinc/21/55/91/557215591.db2.gz GTLJFPHBADONMX-UHFFFAOYSA-N -1 0 442.514 3.717 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCc3ccc(Cl)cc3)cs2)cc1 ZINC000011693240 557232128 /nfs/dbraw/zinc/23/21/28/557232128.db2.gz JNLHUZDOQAPACY-UHFFFAOYSA-N -1 0 437.930 3.536 50 0 IHAARM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)s1 ZINC000011693561 557232637 /nfs/dbraw/zinc/23/26/37/557232637.db2.gz SKKKSJMIWAWZQI-UHFFFAOYSA-N -1 0 444.538 3.838 50 0 IHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828749 557300056 /nfs/dbraw/zinc/30/00/56/557300056.db2.gz UWWWIQBYSLGPKE-UHFFFAOYSA-N -1 0 442.406 3.939 50 0 IHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(OC)c3)cnn21 ZINC000101836576 557302933 /nfs/dbraw/zinc/30/29/33/557302933.db2.gz LBYXSXGITZFFCF-LJQANCHMSA-N -1 0 434.452 3.526 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)no4)c=3c2=O)cc1C ZINC000101893108 557306140 /nfs/dbraw/zinc/30/61/40/557306140.db2.gz LOXAGGOCIGNIQQ-MSOLQXFVSA-N -1 0 436.859 3.500 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)no4)c=3c2=O)cc1C ZINC000101893113 557306182 /nfs/dbraw/zinc/30/61/82/557306182.db2.gz LOXAGGOCIGNIQQ-ZWKOTPCHSA-N -1 0 436.859 3.500 50 0 IHAARM COc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1OC ZINC000013575797 557348639 /nfs/dbraw/zinc/34/86/39/557348639.db2.gz RCZRYKIMGCWVPN-ZHZULCJRSA-N -1 0 446.459 3.812 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1C ZINC000101277591 557456298 /nfs/dbraw/zinc/45/62/98/557456298.db2.gz VNVKFMKQYAKQTH-ROUUACIJSA-N -1 0 436.859 3.500 50 0 IHAARM CCc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316760 557465528 /nfs/dbraw/zinc/46/55/28/557465528.db2.gz VWFAWYVUZMVPMM-UHFFFAOYSA-N -1 0 441.463 3.680 50 0 IHAARM COc1c(Cl)cccc1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)C1=C([O-])c1cccs1 ZINC000106213505 557523305 /nfs/dbraw/zinc/52/33/05/557523305.db2.gz JUKGMNYYUYWCGB-MQIPJXDCSA-N -1 0 434.823 3.514 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000044803229 557537194 /nfs/dbraw/zinc/53/71/94/557537194.db2.gz MQLBWWIUWCCGMP-AWEZNQCLSA-N -1 0 437.525 3.939 50 0 IHAARM Cn1c2cc([N-]S(=O)(=O)c3ccccc3)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000045941149 557549518 /nfs/dbraw/zinc/54/95/18/557549518.db2.gz OXXUVJJMNXNALR-UHFFFAOYSA-N -1 0 443.525 3.968 50 0 IHAARM CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncncc1C(=O)[O-] ZINC000001533713 562922474 /nfs/dbraw/zinc/92/24/74/562922474.db2.gz AHZXSVWCNDLJER-UHFFFAOYSA-N -1 0 429.484 3.829 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2NC(=O)c2cc(C)oc2C)cc1 ZINC000003236275 562933172 /nfs/dbraw/zinc/93/31/72/562933172.db2.gz PSSCPFLULYANCM-UHFFFAOYSA-N -1 0 430.482 3.967 50 0 IHAARM Cc1sc2nc3c(C(=O)N4CCCC4)cc(C(=O)c4ccccc4[O-])cn3c(=O)c2c1C ZINC000003418967 562935449 /nfs/dbraw/zinc/93/54/49/562935449.db2.gz JEKWSVXAVSBYDR-UHFFFAOYSA-N -1 0 447.516 3.699 50 0 IHAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000010343742 562978717 /nfs/dbraw/zinc/97/87/17/562978717.db2.gz LJHHZRLAQHAREK-UHFFFAOYSA-N -1 0 431.477 3.758 50 0 IHAARM CCCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(C3CCCCC3)cc1)c2=O ZINC000015942122 563019568 /nfs/dbraw/zinc/01/95/68/563019568.db2.gz DUPJHLVVNNZTIZ-UHFFFAOYSA-N -1 0 429.546 3.939 50 0 IHAARM O=C([N-]S(=O)(=O)c1ccccc1F)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000001074984 568656516 /nfs/dbraw/zinc/65/65/16/568656516.db2.gz UIUINKNEPBRXKH-UHFFFAOYSA-N -1 0 440.378 3.812 50 0 IHAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000015277123 568754273 /nfs/dbraw/zinc/75/42/73/568754273.db2.gz HXCOECQNAMADFY-KRWDZBQOSA-N -1 0 427.379 3.709 50 0 IHAARM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)cn1 ZINC000084041456 568790452 /nfs/dbraw/zinc/79/04/52/568790452.db2.gz OWJRVDRDYMQEMP-UHFFFAOYSA-N -1 0 434.905 3.602 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000015669392 568801962 /nfs/dbraw/zinc/80/19/62/568801962.db2.gz RPWPTJHWJZSILK-UHFFFAOYSA-N -1 0 439.537 3.742 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)s1 ZINC000015781326 568825784 /nfs/dbraw/zinc/82/57/84/568825784.db2.gz KQOTZTLXGNICDW-UHFFFAOYSA-N -1 0 448.591 3.999 50 0 IHAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)NCc1ccc(F)cc1)CC2 ZINC000015781910 568826207 /nfs/dbraw/zinc/82/62/07/568826207.db2.gz SCAGYAQMOJPATE-IBGZPJMESA-N -1 0 430.476 3.907 50 0 IHAARM COc1cccc(NC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CCCC2)c1 ZINC000015827010 568840951 /nfs/dbraw/zinc/84/09/51/568840951.db2.gz ZPYLWMLWIAZWDE-UHFFFAOYSA-N -1 0 427.526 3.996 50 0 IHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)s1 ZINC000001772140 568906091 /nfs/dbraw/zinc/90/60/91/568906091.db2.gz GNPUIKMHAKFWSU-UHFFFAOYSA-N -1 0 428.948 3.869 50 0 IHAARM CC(=O)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245311323 568914648 /nfs/dbraw/zinc/91/46/48/568914648.db2.gz NLLYAYVSSXMHDM-FCBCXNLDSA-N -1 0 442.446 3.981 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000026738193 568915615 /nfs/dbraw/zinc/91/56/15/568915615.db2.gz WDWIOGUUWGWNTH-UHFFFAOYSA-N -1 0 444.484 3.825 50 0 IHAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000016690211 568938517 /nfs/dbraw/zinc/93/85/17/568938517.db2.gz HKZZZLODNIMBIH-MRXNPFEDSA-N -1 0 449.964 3.576 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)[n-]c1=O ZINC000064774903 568954187 /nfs/dbraw/zinc/95/41/87/568954187.db2.gz UDSNXFNWERILSL-UHFFFAOYSA-N -1 0 445.451 3.520 50 0 IHAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)C1 ZINC000036360455 569086437 /nfs/dbraw/zinc/08/64/37/569086437.db2.gz MZXHLOZBLINGGU-QUJCMNEKSA-N -1 0 437.334 3.982 50 0 IHAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2oc1C(=O)N1CCOCC1 ZINC000065010869 569088250 /nfs/dbraw/zinc/08/82/50/569088250.db2.gz UMMFTONVONDOAA-UHFFFAOYSA-N -1 0 442.537 3.940 50 0 IHAARM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)C1 ZINC000036370383 569088518 /nfs/dbraw/zinc/08/85/18/569088518.db2.gz XWJGSEFESMLQHZ-BBRMVZONSA-N -1 0 434.949 3.823 50 0 IHAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1C ZINC000065098959 569104935 /nfs/dbraw/zinc/10/49/35/569104935.db2.gz QEANJZQHACFTKS-UHFFFAOYSA-N -1 0 446.554 3.842 50 0 IHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000065116035 569107209 /nfs/dbraw/zinc/10/72/09/569107209.db2.gz RXEGFRHUQFJEHT-UHFFFAOYSA-N -1 0 433.461 3.865 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)c1ncccc1O2 ZINC000065241527 569118699 /nfs/dbraw/zinc/11/86/99/569118699.db2.gz DZRVYWXZPNJVAA-UHFFFAOYSA-N -1 0 425.466 3.582 50 0 IHAARM C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000170592147 569141051 /nfs/dbraw/zinc/14/10/51/569141051.db2.gz RCPOGZMYCQNPNM-VOJFVSQTSA-N -1 0 449.276 3.649 50 0 IHAARM C[C@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)[C@@H]1COc2ccccc21 ZINC000170592178 569141178 /nfs/dbraw/zinc/14/11/78/569141178.db2.gz CBNYNRIXQWEHPA-SJCJKPOMSA-N -1 0 445.397 3.884 50 0 IHAARM CCOC(=O)c1c(-c2cccs2)csc1[N-]S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000170609218 569144773 /nfs/dbraw/zinc/14/47/73/569144773.db2.gz LMPCAQVZWDWVSQ-UHFFFAOYSA-N -1 0 440.524 3.569 50 0 IHAARM CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)oc1C ZINC000170617345 569147137 /nfs/dbraw/zinc/14/71/37/569147137.db2.gz CWCRXHGQJXUCQC-UHFFFAOYSA-N -1 0 428.894 3.793 50 0 IHAARM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C(=O)C(F)(F)F)cc1Cl ZINC000170617429 569147362 /nfs/dbraw/zinc/14/73/62/569147362.db2.gz LSVMLDJWEVMZCA-UHFFFAOYSA-N -1 0 438.786 3.983 50 0 IHAARM CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000010060075 569152395 /nfs/dbraw/zinc/15/23/95/569152395.db2.gz AFUGUZXNGBUQIS-UHFFFAOYSA-N -1 0 440.525 3.923 50 0 IHAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000013578983 569156041 /nfs/dbraw/zinc/15/60/41/569156041.db2.gz NVZVVQHNFMMWPI-UHFFFAOYSA-N -1 0 439.251 3.592 50 0 IHAARM C/C(=C\C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000013579186 569156116 /nfs/dbraw/zinc/15/61/16/569156116.db2.gz FWKUEQMYSQYDLW-CMPYXILNSA-N -1 0 442.493 3.547 50 0 IHAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-])ccc12 ZINC000002097272 569179413 /nfs/dbraw/zinc/17/94/13/569179413.db2.gz IGEMCFUXXCCYPI-PBHICJAKSA-N -1 0 435.542 3.534 50 0 biogenic IHAARM COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002228989 569208244 /nfs/dbraw/zinc/20/82/44/569208244.db2.gz DANMTOWDLOVEFN-UHFFFAOYSA-N -1 0 435.505 3.718 50 0 IHAARM COc1cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2F)cc(OC)c1OC ZINC000027527463 569263232 /nfs/dbraw/zinc/26/32/32/569263232.db2.gz JRJSIHHLBNDURG-UHFFFAOYSA-N -1 0 449.438 3.612 50 0 IHAARM COc1ccc(NC(=O)C[C@H](c2ccc(OC)c(O)c2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470711 569282442 /nfs/dbraw/zinc/28/24/42/569282442.db2.gz AJOSWSXQISZEED-QGZVFWFLSA-N -1 0 425.437 3.537 50 0 IHAARM O=C([O-])/C(=C\c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000008938397 569292561 /nfs/dbraw/zinc/29/25/61/569292561.db2.gz VAXNNFKSXCNTLT-KAMYIIQDSA-N -1 0 442.356 3.920 50 0 IHAARM Cc1cc(C)n(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)nn2)n1 ZINC000013010164 569306719 /nfs/dbraw/zinc/30/67/19/569306719.db2.gz HHBDLPDFRIAXKH-UHFFFAOYSA-N -1 0 438.488 3.963 50 0 IHAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1cc(Br)ccc1F)N(C)C2=O ZINC000002455984 569311486 /nfs/dbraw/zinc/31/14/86/569311486.db2.gz WYFNGWRKMBANAH-SJORKVTESA-N -1 0 438.249 3.601 50 0 IHAARM COc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000095532089 569374613 /nfs/dbraw/zinc/37/46/13/569374613.db2.gz IDNXZOLYZGPHMM-OAQYLSRUSA-N -1 0 426.469 3.645 50 0 IHAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@H](c2cnn3cccnc23)CC(=O)O1 ZINC000096115713 569383403 /nfs/dbraw/zinc/38/34/03/569383403.db2.gz SGQHNJWAHJFAPT-AWEZNQCLSA-N -1 0 425.400 3.649 50 0 biogenic IHAARM COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096117130 569383953 /nfs/dbraw/zinc/38/39/53/569383953.db2.gz GKOZFRJGNWPDES-ZDUSSCGKSA-N -1 0 442.777 3.647 50 0 IHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1Cc1nc(-c2cccnc2)no1 ZINC000096119623 569384638 /nfs/dbraw/zinc/38/46/38/569384638.db2.gz DXYRTBRYUBZGMZ-UHFFFAOYSA-N -1 0 440.456 3.671 50 0 IHAARM COc1cc2c(cc1OC)C1=NC(=O)[C@H](CC3CCCCC3)N1C(S[C@H](C)C(=O)[O-])=N2 ZINC000002505791 569406336 /nfs/dbraw/zinc/40/63/36/569406336.db2.gz KYRYBTBAMFNFBZ-WBMJQRKESA-N -1 0 445.541 3.839 50 0 IHAARM CCc1ccc(NC(=O)[C@H](CC)Sc2nc3ccsc3c(=O)n2CC(=O)[O-])cc1 ZINC000002932822 569426277 /nfs/dbraw/zinc/42/62/77/569426277.db2.gz SRTZICHIIZEXMH-HNNXBMFYSA-N -1 0 431.539 3.614 50 0 IHAARM O=C(NCc1ccccc1)c1ccc(Cn2c(=S)[n-]c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002975413 569433585 /nfs/dbraw/zinc/43/35/85/569433585.db2.gz YWMDYLCIFPNDSW-UHFFFAOYSA-N -1 0 445.500 3.766 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)n2cc(-c3ncc(C(F)(F)F)cc3Cl)cn2)cc1 ZINC000003133266 569440738 /nfs/dbraw/zinc/44/07/38/569440738.db2.gz FMELZUUNCLCRQF-UHFFFAOYSA-N -1 0 444.822 3.872 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000003368317 569448241 /nfs/dbraw/zinc/44/82/41/569448241.db2.gz XPYDBQPBJDVOLW-UHFFFAOYSA-N -1 0 442.493 3.766 50 0 IHAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1OC ZINC000003630187 569455243 /nfs/dbraw/zinc/45/52/43/569455243.db2.gz KQMRGMFDQNJFNK-UHFFFAOYSA-N -1 0 437.477 3.596 50 0 IHAARM O=C(Nc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000008778958 569475501 /nfs/dbraw/zinc/47/55/01/569475501.db2.gz QQXMAYXNZDQBEB-UHFFFAOYSA-N -1 0 441.896 3.888 50 0 IHAARM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](CCSC)C(=O)[O-])CC2 ZINC000008878347 569481266 /nfs/dbraw/zinc/48/12/66/569481266.db2.gz YNXOANUOEUPDPD-RXVVDRJESA-N -1 0 444.553 3.567 50 0 biogenic IHAARM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C(F)(F)F)cc1 ZINC000040155820 569493974 /nfs/dbraw/zinc/49/39/74/569493974.db2.gz KCWRLHQAUFZNHM-CQSZACIVSA-N -1 0 443.415 3.573 50 0 IHAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cccc(F)c3)cc21 ZINC000040450370 569506244 /nfs/dbraw/zinc/50/62/44/569506244.db2.gz VRTSPGZIKFCKDD-UHFFFAOYSA-N -1 0 427.295 3.688 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(-c2ccccc2Cl)c1=O ZINC000008994471 569495591 /nfs/dbraw/zinc/49/55/91/569495591.db2.gz HWVHYIZYMDYPJK-HXUWFJFHSA-N -1 0 436.899 3.746 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(CCC2=CCCCC2)c1=O ZINC000009043160 569497834 /nfs/dbraw/zinc/49/78/34/569497834.db2.gz PHGNPIHHGDQPKR-QFIPXVFZSA-N -1 0 434.540 3.994 50 0 biogenic IHAARM NC(=O)c1c(SCC(=O)c2ccc(Cl)c(Cl)c2)sc2c1[nH]c(=O)cc2[O-] ZINC000040286848 569498145 /nfs/dbraw/zinc/49/81/45/569498145.db2.gz CRRJWGQMEOBXPY-UHFFFAOYSA-N -1 0 429.306 3.676 50 0 IHAARM O=C([O-])C[C@@]1(C(=O)NCc2ccccc2)CC(c2ccccc2OCc2ccccc2)=NO1 ZINC000009059001 569499272 /nfs/dbraw/zinc/49/92/72/569499272.db2.gz PBWIMMYVNJXURQ-AREMUKBSSA-N -1 0 444.487 3.920 50 0 IHAARM CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000009059512 569499325 /nfs/dbraw/zinc/49/93/25/569499325.db2.gz CAMGOSGJNOVRHC-YKAGIRRDSA-N -1 0 444.503 3.999 50 0 IHAARM Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)s1 ZINC000245226225 569499575 /nfs/dbraw/zinc/49/95/75/569499575.db2.gz LFKPGRILDNNERB-KNXALSJPSA-N -1 0 446.554 3.571 50 0 IHAARM CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C(=O)[O-])cc2)n2ncnc2N1 ZINC000040484476 569506775 /nfs/dbraw/zinc/50/67/75/569506775.db2.gz PEVKRTOEXAEGJI-QGZVFWFLSA-N -1 0 443.385 3.923 50 0 IHAARM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)cc2OCC(C)(C)C1=O ZINC000009167663 569509114 /nfs/dbraw/zinc/50/91/14/569509114.db2.gz VJNHSSNCFXLWLJ-UHFFFAOYSA-N -1 0 448.541 3.666 50 0 IHAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000009274179 569518176 /nfs/dbraw/zinc/51/81/76/569518176.db2.gz LURCRTFOCSVALK-UHFFFAOYSA-N -1 0 447.925 3.702 50 0 IHAARM CC(C)CN(CC(C)C)C(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000009292084 569519932 /nfs/dbraw/zinc/51/99/32/569519932.db2.gz VDUZFPUOYWUTHJ-UHFFFAOYSA-N -1 0 432.542 3.940 50 0 IHAARM Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000009345669 569524119 /nfs/dbraw/zinc/52/41/19/569524119.db2.gz JRCAJBKWMVHQDJ-BDTNDASRSA-N -1 0 428.444 3.744 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C(C)C ZINC000009356449 569525451 /nfs/dbraw/zinc/52/54/51/569525451.db2.gz XSOSZFQVBOLZNB-INIZCTEOSA-N -1 0 432.542 3.528 50 0 IHAARM O=c1nc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)[n-]c2ccsc21 ZINC000009535952 569545554 /nfs/dbraw/zinc/54/55/54/569545554.db2.gz QYEIUNRYPFWIGO-AWEZNQCLSA-N -1 0 443.529 3.854 50 0 IHAARM O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCC(=O)CC1 ZINC000009546181 569546253 /nfs/dbraw/zinc/54/62/53/569546253.db2.gz MMMAXTSEXXECQC-UHFFFAOYSA-N -1 0 433.338 3.661 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=S)Nc2cccnc2)c1 ZINC000009561968 569547222 /nfs/dbraw/zinc/54/72/22/569547222.db2.gz YHMFGXIRBMJXLQ-UHFFFAOYSA-N -1 0 444.538 3.709 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3c(C)cccc3C)c2)on1 ZINC000009637568 569554779 /nfs/dbraw/zinc/55/47/79/569554779.db2.gz RXRSFLXRGGGUDF-UHFFFAOYSA-N -1 0 430.482 3.945 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)on1 ZINC000009637657 569554865 /nfs/dbraw/zinc/55/48/65/569554865.db2.gz KRCDYHDOZBIZCA-UHFFFAOYSA-N -1 0 430.482 3.945 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1Cl ZINC000009685118 569560649 /nfs/dbraw/zinc/56/06/49/569560649.db2.gz DUYDJKGYMUNXAG-UHFFFAOYSA-N -1 0 439.965 3.731 50 0 IHAARM COc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000009828527 569569724 /nfs/dbraw/zinc/56/97/24/569569724.db2.gz JXIIXGIGKLJTCA-UHFFFAOYSA-N -1 0 437.930 3.787 50 0 IHAARM COc1ccc(Cl)cc1NC(=O)Nc1ccc2sc([N-]S(C)(=O)=O)nc2c1 ZINC000021357479 569584644 /nfs/dbraw/zinc/58/46/44/569584644.db2.gz KUQTTZXXXAHUNX-UHFFFAOYSA-N -1 0 426.907 3.974 50 0 IHAARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O ZINC000001177966 132238455 /nfs/dbraw/zinc/23/84/55/132238455.db2.gz MKICUHJJUNSXBN-MOSHPQCFSA-N -1 0 444.443 3.646 50 0 IHAARM COC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 ZINC000013060298 132343687 /nfs/dbraw/zinc/34/36/87/132343687.db2.gz DAOPSQXHGTVOCJ-QGZVFWFLSA-N -1 0 432.379 3.704 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000021882685 519713206 /nfs/dbraw/zinc/71/32/06/519713206.db2.gz YARQMPOQTXSJJL-UHFFFAOYSA-N -1 0 443.916 3.895 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000009668465 519731897 /nfs/dbraw/zinc/73/18/97/519731897.db2.gz QJMYTGKBUNIGIT-UHFFFAOYSA-N -1 0 437.521 3.684 50 0 IHAARM CCN(C)C1=C(c2c(C)[n-]n(-c3cccc(C)c3C)c2=O)C(=O)N(c2ccccc2F)C1=O ZINC000035960899 520223651 /nfs/dbraw/zinc/22/36/51/520223651.db2.gz WMRYOXDUMAVMRI-UHFFFAOYSA-N -1 0 448.498 3.878 50 0 IHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2ccc3cc(Br)ccc32)c1 ZINC000020736118 521690030 /nfs/dbraw/zinc/69/00/30/521690030.db2.gz CAALYXCYLBKDIW-UHFFFAOYSA-N -1 0 437.315 3.542 50 0 IHAARM COCCn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617233 522077744 /nfs/dbraw/zinc/07/77/44/522077744.db2.gz YYBZOUJLZTZVAU-UHFFFAOYSA-N -1 0 426.281 3.772 50 0 IHAARM CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112466 522170300 /nfs/dbraw/zinc/17/03/00/522170300.db2.gz XXWAEBRNCLDWHG-OAHLLOKOSA-N -1 0 429.567 3.916 50 0 IHAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2OC)c1 ZINC000012544867 522251312 /nfs/dbraw/zinc/25/13/12/522251312.db2.gz PEZMSIMHRVRUJJ-UHFFFAOYSA-N -1 0 440.477 3.535 50 0 IHAARM CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854573 522536396 /nfs/dbraw/zinc/53/63/96/522536396.db2.gz FOHYHJIMLFJMAE-NRFANRHFSA-N -1 0 449.580 3.979 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2Cc3ccccc3O2)ccc1C ZINC000012536192 524640405 /nfs/dbraw/zinc/64/04/05/524640405.db2.gz SJFTXKZZSGZBCT-NRFANRHFSA-N -1 0 438.505 3.747 50 0 IHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](Cc4ccc(O)cc4)C(=O)[O-])c(C)c3cc2c1C ZINC000011867584 526780734 /nfs/dbraw/zinc/78/07/34/526780734.db2.gz PDGLCBLDBVYUDT-HXUWFJFHSA-N -1 0 449.459 3.525 50 0 IHAARM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000012604962 527024433 /nfs/dbraw/zinc/02/44/33/527024433.db2.gz SYHYLBUUWIUCAN-UHFFFAOYSA-N -1 0 437.543 3.955 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)no1 ZINC000000810545 555560556 /nfs/dbraw/zinc/56/05/56/555560556.db2.gz SYNGIYOPZRCEJP-UHFFFAOYSA-N -1 0 429.498 3.925 50 0 IHAARM CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000913103 555582858 /nfs/dbraw/zinc/58/28/58/555582858.db2.gz BXRJPUFWPKJPOD-DZGCQCFKSA-N -1 0 441.340 3.807 50 0 IHAARM CC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000001131681 555644903 /nfs/dbraw/zinc/64/49/03/555644903.db2.gz IVZMMXOVGZTLSF-NSHDSACASA-N -1 0 437.370 3.871 50 0 IHAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 ZINC000001190826 555675768 /nfs/dbraw/zinc/67/57/68/555675768.db2.gz YFQFAGOHQUXXGD-XDHOZWIPSA-N -1 0 430.416 3.523 50 0 IHAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N(C)CCc3ccc(OC)c(OC)c3)cc21 ZINC000001216678 555684257 /nfs/dbraw/zinc/68/42/57/555684257.db2.gz NQYAIYNPMAUCPU-UHFFFAOYSA-N -1 0 428.460 3.555 50 0 IHAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1CC(C)(C)OC2 ZINC000002476675 555783452 /nfs/dbraw/zinc/78/34/52/555783452.db2.gz HIQUIXTUNZZPLW-NWDGAFQWSA-N -1 0 441.933 3.948 50 0 IHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000002856042 555841706 /nfs/dbraw/zinc/84/17/06/555841706.db2.gz BOLOEHNUAUCQJS-UHFFFAOYSA-N -1 0 425.539 3.575 50 0 IHAARM C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000002917885 555863178 /nfs/dbraw/zinc/86/31/78/555863178.db2.gz AWWAHIKVFWDIAA-RMENWYJGSA-N -1 0 428.916 3.998 50 0 IHAARM CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(I)c2)C[C@H]1C(=O)[O-] ZINC000004241483 555978814 /nfs/dbraw/zinc/97/88/14/555978814.db2.gz VQERMIXCSDCMKD-OCCSQVGLSA-N -1 0 431.270 3.544 50 0 IHAARM C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000006268999 556083329 /nfs/dbraw/zinc/08/33/29/556083329.db2.gz KYPMJLPHIJGLIC-INIZCTEOSA-N -1 0 437.521 3.801 50 0 IHAARM CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000006624421 556098467 /nfs/dbraw/zinc/09/84/67/556098467.db2.gz LBFDNUQRUTVLLN-YDFBLROQSA-N -1 0 426.513 3.860 50 0 biogenic IHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3OC)C2)cc1OC ZINC000009059438 556243598 /nfs/dbraw/zinc/24/35/98/556243598.db2.gz UPOLNEDHLVQAIL-SFHVURJKSA-N -1 0 426.469 3.645 50 0 IHAARM CCN(CC)S(=O)(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000032754941 556324432 /nfs/dbraw/zinc/32/44/32/556324432.db2.gz QQQQTGTYDRGVFZ-UHFFFAOYSA-N -1 0 448.969 3.927 50 0 IHAARM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000013135428 556483359 /nfs/dbraw/zinc/48/33/59/556483359.db2.gz JOLIJQLVDJODFX-LLVKDONJSA-N -1 0 425.528 3.944 50 0 IHAARM O=C(c1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1)N1CCCC1 ZINC000030530856 556497064 /nfs/dbraw/zinc/49/70/64/556497064.db2.gz DDFGISVFPDINLY-UHFFFAOYSA-N -1 0 445.285 3.764 50 0 IHAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])s2)cc1OC ZINC000013259981 556501066 /nfs/dbraw/zinc/50/10/66/556501066.db2.gz CQXQEPVLEBEFFL-INIZCTEOSA-N -1 0 426.494 3.561 50 0 biogenic IHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(C2CCCCC2)o1 ZINC000013398366 556504301 /nfs/dbraw/zinc/50/43/01/556504301.db2.gz SBDMFNLBQNDDBF-KRWDZBQOSA-N -1 0 428.514 3.503 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2F)ccc1C ZINC000015976818 556570665 /nfs/dbraw/zinc/57/06/65/556570665.db2.gz BAFANRYZTBEHJY-UHFFFAOYSA-N -1 0 428.485 3.874 50 0 IHAARM C[C@@H](NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)[n-]c1=O)c1ccccc1 ZINC000034768436 556582374 /nfs/dbraw/zinc/58/23/74/556582374.db2.gz CABDFFJACHOXAG-CQSZACIVSA-N -1 0 430.430 3.997 50 0 IHAARM CCc1ccc(S(=O)(=O)[N-]c2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cc1 ZINC000017097432 556661691 /nfs/dbraw/zinc/66/16/91/556661691.db2.gz QXXBQPULAMRGDX-UHFFFAOYSA-N -1 0 431.386 3.990 50 0 IHAARM O=S(=O)([N-]c1nccs1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000072312998 556688422 /nfs/dbraw/zinc/68/84/22/556688422.db2.gz HMIJJADELVJFTN-UHFFFAOYSA-N -1 0 445.547 3.898 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000097940837 556811463 /nfs/dbraw/zinc/81/14/63/556811463.db2.gz DHQRRKZEXYCNGO-UHFFFAOYSA-N -1 0 428.514 3.632 50 0 IHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000019630029 556832129 /nfs/dbraw/zinc/83/21/29/556832129.db2.gz HTBJJTSIHZEUCY-HZPDHXFCSA-N -1 0 439.537 3.557 50 0 IHAARM O=C(CCc1c[nH]c2ccccc12)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097137940 556991658 /nfs/dbraw/zinc/99/16/58/556991658.db2.gz SHESNSCRKMHSIE-UHFFFAOYSA-N -1 0 437.503 3.688 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000023126337 557007938 /nfs/dbraw/zinc/00/79/38/557007938.db2.gz PWJQVMSCNJHKFP-MSOLQXFVSA-N -1 0 436.859 3.500 50 0 IHAARM COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000017304279 557051733 /nfs/dbraw/zinc/05/17/33/557051733.db2.gz FIIIAPKCIHNKGA-UHFFFAOYSA-N -1 0 436.493 3.933 50 0 IHAARM CCn1nnc2cc(C(=O)Nc3ccccc3[N-]S(=O)(=O)c3cccs3)ccc21 ZINC000023172710 557070437 /nfs/dbraw/zinc/07/04/37/557070437.db2.gz DDHIWLGXAFMVJQ-UHFFFAOYSA-N -1 0 427.511 3.566 50 0 IHAARM Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c([O-])c12 ZINC000049008051 557086312 /nfs/dbraw/zinc/08/63/12/557086312.db2.gz ZVPBTWBGGIVLMM-UHFFFAOYSA-N -1 0 440.308 3.865 50 0 IHAARM Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)c1 ZINC000000627452 557122343 /nfs/dbraw/zinc/12/23/43/557122343.db2.gz ILQCJXOWVVXPGM-LEWJYISDSA-N -1 0 447.535 3.563 50 0 IHAARM CCOc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1OCC(=O)N1CCCCC1 ZINC000245266618 557129934 /nfs/dbraw/zinc/12/99/34/557129934.db2.gz KIRZTXIOZPVVAU-UHFFFAOYSA-N -1 0 425.485 3.621 50 0 IHAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000009306042 557186032 /nfs/dbraw/zinc/18/60/32/557186032.db2.gz ZQPZNOVEYWVXMU-CQSZACIVSA-N -1 0 426.498 3.867 50 0 IHAARM CCOc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c2c1 ZINC000011612194 557208754 /nfs/dbraw/zinc/20/87/54/557208754.db2.gz MDPXNKRQHRVXJG-QFIPXVFZSA-N -1 0 447.491 3.778 50 0 IHAARM Cc1cc(=O)n2c(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4F)cc3)csc2n1 ZINC000011696428 557233319 /nfs/dbraw/zinc/23/33/19/557233319.db2.gz HNQPJIOFJDEBQV-UHFFFAOYSA-N -1 0 433.461 3.810 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)cc1 ZINC000101262255 557265349 /nfs/dbraw/zinc/26/53/49/557265349.db2.gz BCFJROIYEYSRMY-VQTJNVASSA-N -1 0 430.468 3.662 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101261841 557265474 /nfs/dbraw/zinc/26/54/74/557265474.db2.gz PWJQVMSCNJHKFP-QZTJIDSGSA-N -1 0 436.859 3.500 50 0 IHAARM CC(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2C)cc1 ZINC000101767475 557295902 /nfs/dbraw/zinc/29/59/02/557295902.db2.gz SHYSLHZGGTWPIT-IBGZPJMESA-N -1 0 438.915 3.789 50 0 IHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(OC)cc2)cc1 ZINC000101836377 557303012 /nfs/dbraw/zinc/30/30/12/557303012.db2.gz UXHYGJAXGVVQFC-HXUWFJFHSA-N -1 0 434.452 3.526 50 0 IHAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C\c3cccc(Br)c3)n2)cc1 ZINC000033248095 557326947 /nfs/dbraw/zinc/32/69/47/557326947.db2.gz AKEAXNWOWJEQRK-DAXSKMNVSA-N -1 0 431.315 3.793 50 0 IHAARM CCCNC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000011695905 557393567 /nfs/dbraw/zinc/39/35/67/557393567.db2.gz NLLCNCRIAXYJAP-UHFFFAOYSA-N -1 0 429.567 3.836 50 0 IHAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2OC)cc1 ZINC000024103141 557395629 /nfs/dbraw/zinc/39/56/29/557395629.db2.gz AJVMVCYWJVUMKR-UHFFFAOYSA-N -1 0 434.695 3.699 50 0 IHAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000225459873 557725272 /nfs/dbraw/zinc/72/52/72/557725272.db2.gz WNFSOUHNTVMBJE-UHFFFAOYSA-N -1 0 444.478 3.888 50 0 IHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(Br)cc2C[C@H]1C ZINC000040450610 557734400 /nfs/dbraw/zinc/73/44/00/557734400.db2.gz RESGYOKMQICWOY-SNVBAGLBSA-N -1 0 427.295 3.687 50 0 IHAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)Cc1ccccc1Cl ZINC000225546232 557739880 /nfs/dbraw/zinc/73/98/80/557739880.db2.gz DCMNEKBSMSROJL-LJQANCHMSA-N -1 0 447.988 3.883 50 0 IHAARM COc1ccc(OC)c(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3OC)C2)c1 ZINC000225849294 557785030 /nfs/dbraw/zinc/78/50/30/557785030.db2.gz LHTPXBILBYQYNV-IBGZPJMESA-N -1 0 426.469 3.645 50 0 IHAARM O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000001136504 562920642 /nfs/dbraw/zinc/92/06/42/562920642.db2.gz JZLVIKXKHIDIRZ-UHFFFAOYSA-N -1 0 432.299 3.897 50 0 IHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000002949121 562931139 /nfs/dbraw/zinc/93/11/39/562931139.db2.gz YMPISWDOBJPUPL-PHCAOYFPSA-N -1 0 448.906 3.923 50 0 IHAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000003348330 562934587 /nfs/dbraw/zinc/93/45/87/562934587.db2.gz CWGWOYDJYVLXPQ-UHFFFAOYSA-N -1 0 446.475 3.747 50 0 IHAARM O=C([O-])CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 ZINC000004057710 562941357 /nfs/dbraw/zinc/94/13/57/562941357.db2.gz PWKPTVXKTWEFFO-UHFFFAOYSA-N -1 0 432.914 3.522 50 0 IHAARM CCOc1cc([C@H]2[C@H](C(=O)[O-])c3cc(OCC)c(OCC)cc3C(=O)N2C)ccc1O ZINC000004118716 562942180 /nfs/dbraw/zinc/94/21/80/562942180.db2.gz ZWZNGKXDUVATCL-RTWAWAEBSA-N -1 0 429.469 3.583 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCCC1 ZINC000008605083 562956569 /nfs/dbraw/zinc/95/65/69/562956569.db2.gz OAKVBNCPHPNFFF-UHFFFAOYSA-N -1 0 433.574 3.776 50 0 IHAARM COc1ccc(Cl)cc1NC(=O)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000000911779 568636536 /nfs/dbraw/zinc/63/65/36/568636536.db2.gz MFPKQDWDUOUWOD-UHFFFAOYSA-N -1 0 428.872 3.988 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 ZINC000000945116 568643374 /nfs/dbraw/zinc/64/33/74/568643374.db2.gz HDSWLOXMRRHOBF-UHFFFAOYSA-N -1 0 447.314 3.601 50 0 IHAARM C[C@H](C(=O)[O-])n1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccs1 ZINC000013009608 568899887 /nfs/dbraw/zinc/89/98/87/568899887.db2.gz SWNPJEBILKGFCT-BDJLRTHQSA-N -1 0 446.529 3.903 50 0 IHAARM COCCN1C(=O)/C(=C\c2cn(CC(=O)[O-])c3ccccc23)SC1=Nc1ccccc1 ZINC000252599895 568925918 /nfs/dbraw/zinc/92/59/18/568925918.db2.gz DMIOSRVUTGTVFJ-JTKXPSIUSA-N -1 0 435.505 3.976 50 0 IHAARM O=C([O-])c1ccc(C=NNC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000252603744 568925989 /nfs/dbraw/zinc/92/59/89/568925989.db2.gz FTMNQUYWNKKGMK-FSOQTDKFSA-N -1 0 447.878 3.959 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)[n-]c1=O ZINC000064774869 568954085 /nfs/dbraw/zinc/95/40/85/568954085.db2.gz PELFZZWJJIVFNU-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2C)[n-]c1=O ZINC000064774912 568954340 /nfs/dbraw/zinc/95/43/40/568954340.db2.gz OTTXIAVYJGLJAZ-UHFFFAOYSA-N -1 0 441.488 3.689 50 0 IHAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4cccs4)CC3)c2c1 ZINC000036359855 569086544 /nfs/dbraw/zinc/08/65/44/569086544.db2.gz KOQPIBHUQDXZDN-NRFANRHFSA-N -1 0 440.569 3.767 50 0 IHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c1 ZINC000065115815 569106896 /nfs/dbraw/zinc/10/68/96/569106896.db2.gz MXSLSVSLMQRGGL-UHFFFAOYSA-N -1 0 445.497 3.735 50 0 IHAARM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000065116568 569107264 /nfs/dbraw/zinc/10/72/64/569107264.db2.gz AQFBDGWIVPDUDV-UHFFFAOYSA-N -1 0 446.554 3.760 50 0 IHAARM COc1ccccc1C[C@H](CNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)[O-] ZINC000170592156 569141184 /nfs/dbraw/zinc/14/11/84/569141184.db2.gz CBGAEHOCZQJDSF-OAHLLOKOSA-N -1 0 447.413 3.573 50 0 IHAARM NC(=O)[C@@H]1CCCN1Cc1ccccc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000170617475 569147364 /nfs/dbraw/zinc/14/73/64/569147364.db2.gz LFGKRVMFVOEIEX-KRWDZBQOSA-N -1 0 449.985 3.805 50 0 IHAARM O=[N+]([O-])c1ccc(N=NC2CCSC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000249991865 569155653 /nfs/dbraw/zinc/15/56/53/569155653.db2.gz LJZFGWOFWZSCIJ-UHFFFAOYSA-N -1 0 426.907 3.954 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000016848590 569164450 /nfs/dbraw/zinc/16/44/50/569164450.db2.gz MZYRNNYCKMIJIR-UHFFFAOYSA-N -1 0 433.530 3.640 50 0 IHAARM CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000017096497 569173152 /nfs/dbraw/zinc/17/31/52/569173152.db2.gz XXTVHOWNCLXSHM-ZDUSSCGKSA-N -1 0 429.498 3.568 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)s1 ZINC000017121703 569174284 /nfs/dbraw/zinc/17/42/84/569174284.db2.gz GMXCLBPZHODRKD-UHFFFAOYSA-N -1 0 448.591 3.999 50 0 IHAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144215 569174605 /nfs/dbraw/zinc/17/46/05/569174605.db2.gz JCKYSIBHMXJEEI-JRPNMDOOSA-N -1 0 437.363 3.766 50 0 IHAARM Cc1c(O[C@H](C)C(=O)NCCCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002103586 569180023 /nfs/dbraw/zinc/18/00/23/569180023.db2.gz GUDLKGHSGHRLGS-QGZVFWFLSA-N -1 0 437.492 3.749 50 0 biogenic IHAARM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000027531076 569265701 /nfs/dbraw/zinc/26/57/01/569265701.db2.gz DWXRAMISAGABIW-UHFFFAOYSA-N -1 0 432.299 3.897 50 0 IHAARM COc1cc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253471761 569282571 /nfs/dbraw/zinc/28/25/71/569282571.db2.gz ZCHPPASPAROHJN-MRXNPFEDSA-N -1 0 441.411 3.691 50 0 IHAARM CCOc1cc(C=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000008451881 569289924 /nfs/dbraw/zinc/28/99/24/569289924.db2.gz WHHSZMMGBZZPKS-UHFFFAOYSA-N -1 0 426.206 3.780 50 0 IHAARM Cc1nnc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)s1 ZINC000019636165 569324386 /nfs/dbraw/zinc/32/43/86/569324386.db2.gz MNHFKVMKXGDERD-LLVKDONJSA-N -1 0 442.522 3.916 50 0 IHAARM Cc1oc(CN(C)C(=O)c2ccc(Cl)cc2I)cc1C(=O)[O-] ZINC000095425053 569365914 /nfs/dbraw/zinc/36/59/14/569365914.db2.gz IPKZIITWKCTYDL-UHFFFAOYSA-N -1 0 433.629 3.816 50 0 IHAARM COc1cnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CC(C)C)cc3)cc2)nc1 ZINC000095440788 569366529 /nfs/dbraw/zinc/36/65/29/569366529.db2.gz YUNBJLDGLAQOMZ-UHFFFAOYSA-N -1 0 440.525 3.737 50 0 IHAARM COc1ccc(C(=O)c2c([N-]S(=O)(=O)c3ccc(Cl)cc3F)nc3n2CCC3)cc1 ZINC000095944151 569375690 /nfs/dbraw/zinc/37/56/90/569375690.db2.gz ZNGDLMUGBPRFTB-UHFFFAOYSA-N -1 0 449.891 3.662 50 0 IHAARM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000095989470 569378240 /nfs/dbraw/zinc/37/82/40/569378240.db2.gz LKRJHPADJKZOBD-UHFFFAOYSA-N -1 0 446.507 3.733 50 0 IHAARM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)cc2C1 ZINC000096103699 569382151 /nfs/dbraw/zinc/38/21/51/569382151.db2.gz LQRQUQVEMAVWTA-UHFFFAOYSA-N -1 0 430.404 3.511 50 0 IHAARM CC(C)[C@@H](CC(=O)N1CCOCC1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115244 569383155 /nfs/dbraw/zinc/38/31/55/569383155.db2.gz RQOGBGORYYTKEM-QGZVFWFLSA-N -1 0 437.492 3.860 50 0 biogenic IHAARM CN(C1CCCCC1)S(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000096997100 569402756 /nfs/dbraw/zinc/40/27/56/569402756.db2.gz WKMXXJBYTGECNH-UHFFFAOYSA-N -1 0 426.535 3.580 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000097161528 569403266 /nfs/dbraw/zinc/40/32/66/569403266.db2.gz QNATWBAOANHENL-UHFFFAOYSA-N -1 0 428.514 3.632 50 0 IHAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3cc(C(N)=O)ccc3OC)cc2[n-]c1=S ZINC000003631187 569455340 /nfs/dbraw/zinc/45/53/40/569455340.db2.gz MRHARXXZZGXTKX-UHFFFAOYSA-N -1 0 440.525 3.609 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)CCc1cccc(Cl)c1 ZINC000059368801 569461052 /nfs/dbraw/zinc/46/10/52/569461052.db2.gz DJXUGSUHTABMEU-UHFFFAOYSA-N -1 0 446.750 3.939 50 0 IHAARM O=C1[N-]C(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694599 569470169 /nfs/dbraw/zinc/47/01/69/569470169.db2.gz DRZXBJKKIOTUEP-XMSQKQJNSA-N -1 0 443.425 3.890 50 0 IHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1cn2ccccc2n1 ZINC000008725478 569472184 /nfs/dbraw/zinc/47/21/84/569472184.db2.gz LBHDKRLTKQTKLK-UHFFFAOYSA-N -1 0 438.484 3.513 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)c(OC)c1 ZINC000009152519 569507845 /nfs/dbraw/zinc/50/78/45/569507845.db2.gz NSUSOMZLOSNSCH-CQSZACIVSA-N -1 0 430.526 3.582 50 0 IHAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)c1 ZINC000009166563 569508969 /nfs/dbraw/zinc/50/89/69/569508969.db2.gz DXNYHJLWZMHSCH-UHFFFAOYSA-N -1 0 432.542 3.830 50 0 IHAARM O=C(NCC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000009223740 569512998 /nfs/dbraw/zinc/51/29/98/569512998.db2.gz NURDUFVMXYLXFP-UHFFFAOYSA-N -1 0 430.526 3.569 50 0 IHAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)C1 ZINC000009476606 569539068 /nfs/dbraw/zinc/53/90/68/569539068.db2.gz JFCAPVQCHRVKMT-OAHLLOKOSA-N -1 0 441.867 3.815 50 0 IHAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(Cl)c1Cl ZINC000009493723 569540806 /nfs/dbraw/zinc/54/08/06/569540806.db2.gz MXFPPRHZUSLNHW-UHFFFAOYSA-N -1 0 449.381 3.969 50 0 IHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cccc(-c3ccno3)c2)c(C)n1C ZINC000009685163 569560614 /nfs/dbraw/zinc/56/06/14/569560614.db2.gz VTOHXAWQAQWBDU-UHFFFAOYSA-N -1 0 442.541 3.724 50 0 IHAARM CC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)nc1C ZINC000009714701 569562857 /nfs/dbraw/zinc/56/28/57/569562857.db2.gz HHZMKISAMQGLKQ-UHFFFAOYSA-N -1 0 433.486 3.846 50 0 IHAARM Cc1cccc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009739288 569565028 /nfs/dbraw/zinc/56/50/28/569565028.db2.gz SECBILGFHPWFQI-UHFFFAOYSA-N -1 0 442.468 3.730 50 0 IHAARM CCOc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000009828588 569569741 /nfs/dbraw/zinc/56/97/41/569569741.db2.gz LXNJOFYPNCXJMP-UHFFFAOYSA-N -1 0 431.539 3.832 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3C2)c1 ZINC000009896643 569572997 /nfs/dbraw/zinc/57/29/97/569572997.db2.gz WFWLDVHYGPINDF-UHFFFAOYSA-N -1 0 428.535 3.756 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(CO)cc2)ccc1Cl ZINC000009970916 569576207 /nfs/dbraw/zinc/57/62/07/569576207.db2.gz GVSIFTXHACFJDM-UHFFFAOYSA-N -1 0 446.912 3.894 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000013507750 574413302 /nfs/dbraw/zinc/41/33/02/574413302.db2.gz WVULKSPCQVQLCU-JRBYBKGDSA-N -1 0 449.632 3.594 50 0 endogenous,in-man IHAARM O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000006142014 193881547 /nfs/dbraw/zinc/88/15/47/193881547.db2.gz GUXSBJFILJLILM-JOCHJYFZSA-N -1 0 443.455 3.651 50 0 biogenic IHAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000008602075 132286609 /nfs/dbraw/zinc/28/66/09/132286609.db2.gz VBYICUCTOOCQRX-UHFFFAOYSA-N -1 0 431.492 3.972 50 0 IHAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCCC2)s1 ZINC000012633402 519678397 /nfs/dbraw/zinc/67/83/97/519678397.db2.gz RUXDPCGVZKVTEC-UHFFFAOYSA-N -1 0 427.979 3.829 50 0 IHAARM CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000012585164 520556366 /nfs/dbraw/zinc/55/63/66/520556366.db2.gz UTIJBSJMBKNGKF-UHFFFAOYSA-N -1 0 441.347 3.741 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(C)=O ZINC000022274467 520863726 /nfs/dbraw/zinc/86/37/26/520863726.db2.gz IABWXWPGLVEBCD-UHFFFAOYSA-N -1 0 439.331 3.558 50 0 IHAARM CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]c4cccnc4)o3)sc2c1 ZINC000035597505 521304781 /nfs/dbraw/zinc/30/47/81/521304781.db2.gz FEWLHWSTJOFNHJ-UHFFFAOYSA-N -1 0 444.494 3.736 50 0 IHAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000035397225 521376803 /nfs/dbraw/zinc/37/68/03/521376803.db2.gz PZVVTPFCNNPAHB-UHFFFAOYSA-N -1 0 425.510 3.916 50 0 IHAARM CN(C1CCCCC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000012605636 522410486 /nfs/dbraw/zinc/41/04/86/522410486.db2.gz GXKRTRKVRJWHTQ-UHFFFAOYSA-N -1 0 444.525 3.719 50 0 IHAARM CCc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000012137195 524008203 /nfs/dbraw/zinc/00/82/03/524008203.db2.gz LNCUCTFUKGTOBF-OAHLLOKOSA-N -1 0 429.498 3.752 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c(OC)c1 ZINC000035527909 524686987 /nfs/dbraw/zinc/68/69/87/524686987.db2.gz PAWHIEHMJZVETN-UHFFFAOYSA-N -1 0 445.497 3.735 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1OC ZINC000021931847 525088770 /nfs/dbraw/zinc/08/87/70/525088770.db2.gz OCYJHQKEEPQIKA-UHFFFAOYSA-N -1 0 441.509 3.769 50 0 IHAARM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000012584488 525280569 /nfs/dbraw/zinc/28/05/69/525280569.db2.gz RMJSPGMNHUVCRG-UHFFFAOYSA-N -1 0 425.475 3.545 50 0 IHAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)Nc1ccccc1F ZINC000012508240 525306557 /nfs/dbraw/zinc/30/65/57/525306557.db2.gz TXFPJCDIPPHLJF-UHFFFAOYSA-N -1 0 426.516 3.797 50 0 IHAARM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1 ZINC000012468173 526386951 /nfs/dbraw/zinc/38/69/51/526386951.db2.gz UCENZZDPUCPHOW-UYRXBGFRSA-N -1 0 447.472 3.851 50 0 IHAARM Cc1noc(C)c1CCN(C)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000021883432 526489777 /nfs/dbraw/zinc/48/97/77/526489777.db2.gz KWKPTQYHGGJYOK-UHFFFAOYSA-N -1 0 443.525 3.778 50 0 IHAARM O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21)Nc1ccc(F)c(Cl)c1 ZINC000020987120 527051379 /nfs/dbraw/zinc/05/13/79/527051379.db2.gz STDRBJBIWDXSQN-UHFFFAOYSA-N -1 0 447.854 3.747 50 0 IHAARM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852785 527204892 /nfs/dbraw/zinc/20/48/92/527204892.db2.gz NKLNZTLMWKKUQC-HXUWFJFHSA-N -1 0 437.544 3.851 50 0 IHAARM Cc1nc2sc([C@H](c3cccs3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022876451 527207257 /nfs/dbraw/zinc/20/72/57/527207257.db2.gz KSTAJLUNRIKFHD-SFHVURJKSA-N -1 0 425.583 3.774 50 0 IHAARM O=C(Nc1ccc2c(c1)OCO2)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020532750 527290180 /nfs/dbraw/zinc/29/01/80/527290180.db2.gz IWWKLDNVWUPQMU-UHFFFAOYSA-N -1 0 431.857 3.517 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)n1 ZINC000000673526 555532170 /nfs/dbraw/zinc/53/21/70/555532170.db2.gz CUYCCFDJICRHGX-BJMVGYQFSA-N -1 0 428.901 3.891 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)n1 ZINC000000683109 555538455 /nfs/dbraw/zinc/53/84/55/555538455.db2.gz RUGBPODBBIJXEI-KRWDZBQOSA-N -1 0 440.525 3.609 50 0 IHAARM COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000892625 555580051 /nfs/dbraw/zinc/58/00/51/555580051.db2.gz RRQWBTKEQFHVRJ-UHFFFAOYSA-N -1 0 444.538 3.569 50 0 IHAARM CC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001103664 555629011 /nfs/dbraw/zinc/62/90/11/555629011.db2.gz JFZQIAPIVLSNQV-UHFFFAOYSA-N -1 0 426.498 3.565 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC000001227716 555686279 /nfs/dbraw/zinc/68/62/79/555686279.db2.gz NMELBURUEITPOF-UHFFFAOYSA-N -1 0 447.314 3.601 50 0 IHAARM O=C([O-])/C=C/C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)c1 ZINC000001244551 555687518 /nfs/dbraw/zinc/68/75/18/555687518.db2.gz ZKTPDQOHWCWNFG-ZHACJKMWSA-N -1 0 444.399 3.564 50 0 IHAARM CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000002668271 555796768 /nfs/dbraw/zinc/79/67/68/555796768.db2.gz YWTUWLBTPRFDJD-UHFFFAOYSA-N -1 0 426.498 3.709 50 0 IHAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)c1 ZINC000006141467 556077021 /nfs/dbraw/zinc/07/70/21/556077021.db2.gz BADFKMASZGUKLB-PMACEKPBSA-N -1 0 430.526 3.934 50 0 IHAARM C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000006269089 556083310 /nfs/dbraw/zinc/08/33/10/556083310.db2.gz KYPMJLPHIJGLIC-MRXNPFEDSA-N -1 0 437.521 3.801 50 0 IHAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000002736299 556131974 /nfs/dbraw/zinc/13/19/74/556131974.db2.gz FHGUADWSOUTVHJ-UHFFFAOYSA-N -1 0 445.500 3.979 50 0 IHAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C ZINC000002804474 556143067 /nfs/dbraw/zinc/14/30/67/556143067.db2.gz VWEOBEWENVGAQW-UHFFFAOYSA-N -1 0 428.345 3.996 50 0 IHAARM O=C(CCCCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCc1ccccc1 ZINC000002974391 556152410 /nfs/dbraw/zinc/15/24/10/556152410.db2.gz LAXGXLALAFILRF-UHFFFAOYSA-N -1 0 425.510 3.665 50 0 IHAARM O=C(NCc1ccccn1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013689981 556279317 /nfs/dbraw/zinc/27/93/17/556279317.db2.gz QEVRHMCXMLBSMB-UHFFFAOYSA-N -1 0 442.497 3.561 50 0 IHAARM COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000009668157 556305179 /nfs/dbraw/zinc/30/51/79/556305179.db2.gz YQAZLEITUKPZBI-QPJJXVBHSA-N -1 0 436.258 3.825 50 0 IHAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c(Cl)c1 ZINC000009837310 556312653 /nfs/dbraw/zinc/31/26/53/556312653.db2.gz PEVLPDUMASZYMB-UXHICEINSA-N -1 0 439.903 3.704 50 0 IHAARM O=C(OCc1cc(F)cc2c1OCOC2)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000014775677 556445158 /nfs/dbraw/zinc/44/51/58/556445158.db2.gz BCSPMWJTIPBYCE-UHFFFAOYSA-N -1 0 449.481 3.912 50 0 IHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2ccc(Br)cc2)c1 ZINC000028813224 556461425 /nfs/dbraw/zinc/46/14/25/556461425.db2.gz QVVIRZFRUKZYLA-UHFFFAOYSA-N -1 0 430.345 3.679 50 0 IHAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-] ZINC000013629247 556538625 /nfs/dbraw/zinc/53/86/25/556538625.db2.gz WGPMCSNYNDGCAT-SFHVURJKSA-N -1 0 427.497 3.651 50 0 IHAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)s1 ZINC000032903089 556541908 /nfs/dbraw/zinc/54/19/08/556541908.db2.gz JOVBMXFEZNKDNV-UHFFFAOYSA-N -1 0 442.868 3.780 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2F)ccc1F ZINC000015976829 556570589 /nfs/dbraw/zinc/57/05/89/556570589.db2.gz VHFJWTMSEVVSJC-UHFFFAOYSA-N -1 0 432.448 3.704 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000024184114 556688869 /nfs/dbraw/zinc/68/88/69/556688869.db2.gz XLJGPXIQVBFGFM-OAHLLOKOSA-N -1 0 442.459 3.911 50 0 IHAARM Cc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)[n-]c1=O ZINC000013637266 556705748 /nfs/dbraw/zinc/70/57/48/556705748.db2.gz WRNBIKSFALQELI-HNNXBMFYSA-N -1 0 429.889 3.602 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)c1 ZINC000013696191 556711999 /nfs/dbraw/zinc/71/19/99/556711999.db2.gz DXAVOXRNAOCIQM-UHFFFAOYSA-N -1 0 444.534 3.769 50 0 IHAARM CC(=O)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000033915836 556724037 /nfs/dbraw/zinc/72/40/37/556724037.db2.gz NLLYAYVSSXMHDM-ICLZECGLSA-N -1 0 442.446 3.981 50 0 IHAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 ZINC000033045848 556742485 /nfs/dbraw/zinc/74/24/85/556742485.db2.gz ZEBLQFGNDPJAIP-CQSZACIVSA-N -1 0 436.555 3.543 50 0 IHAARM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000722972839 556749327 /nfs/dbraw/zinc/74/93/27/556749327.db2.gz ACNLZHGQCZXOSU-SFHVURJKSA-N -1 0 445.397 3.894 50 0 IHAARM C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1 ZINC000058172172 556768516 /nfs/dbraw/zinc/76/85/16/556768516.db2.gz GSIDSZARPCTESS-AWEZNQCLSA-N -1 0 429.929 3.903 50 0 IHAARM C[C@H](c1ccccc1)N(C)C(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1 ZINC000058172173 556768585 /nfs/dbraw/zinc/76/85/85/556768585.db2.gz GSIDSZARPCTESS-CQSZACIVSA-N -1 0 429.929 3.903 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000059560281 556802338 /nfs/dbraw/zinc/80/23/38/556802338.db2.gz WVULKSPCQVQLCU-IYCFNXDBSA-N -1 0 449.632 3.594 50 0 IHAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000002889863 556803735 /nfs/dbraw/zinc/80/37/35/556803735.db2.gz BCZCSDLWYCHHJK-UHFFFAOYSA-N -1 0 425.510 3.880 50 0 IHAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCCC3)o2)c1 ZINC000097940816 556811267 /nfs/dbraw/zinc/81/12/67/556811267.db2.gz ISCMMVYOKJPDCP-UHFFFAOYSA-N -1 0 428.514 3.659 50 0 IHAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000019643380 556838354 /nfs/dbraw/zinc/83/83/54/556838354.db2.gz CTJJDFGIBRGKMS-LSDHHAIUSA-N -1 0 445.493 3.824 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2 ZINC000032943898 557021580 /nfs/dbraw/zinc/02/15/80/557021580.db2.gz BUMLGXFEBWILEM-LLVKDONJSA-N -1 0 426.947 3.997 50 0 IHAARM Cc1nc2sc([C@H](c3cccs3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023158265 557032468 /nfs/dbraw/zinc/03/24/68/557032468.db2.gz HPUZVFWPFUXLIM-KRWDZBQOSA-N -1 0 429.546 3.917 50 0 IHAARM Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c1)NC(=O)CCC2=O ZINC000033276578 557057110 /nfs/dbraw/zinc/05/71/10/557057110.db2.gz SLEVSUNHRZUJRQ-UHFFFAOYSA-N -1 0 444.900 3.685 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CCC3)cc2)c1 ZINC000033277541 557059054 /nfs/dbraw/zinc/05/90/54/557059054.db2.gz BCTOXCHVCITNNI-UHFFFAOYSA-N -1 0 446.569 3.699 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)cc1 ZINC000033307963 557087074 /nfs/dbraw/zinc/08/70/74/557087074.db2.gz BHXTWJXKTAPBKC-UHFFFAOYSA-N -1 0 435.509 3.756 50 0 IHAARM O=C(c1csc([N-]c2ncccn2)n1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000049032237 557089546 /nfs/dbraw/zinc/08/95/46/557089546.db2.gz FAIWTFFYPOLJBW-UHFFFAOYSA-N -1 0 435.340 3.946 50 0 IHAARM O=C(Nc1ccc2c(c1)OCCO2)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409597 557104625 /nfs/dbraw/zinc/10/46/25/557104625.db2.gz OEXQCMOMIMRPQG-UHFFFAOYSA-N -1 0 434.473 3.840 50 0 IHAARM COc1cc(/C=C\C(=O)[O-])ccc1OS(=O)(=O)c1cc(Br)ccc1C ZINC000097997213 557187924 /nfs/dbraw/zinc/18/79/24/557187924.db2.gz WWSZXKUUUMBIJO-YVMONPNESA-N -1 0 427.272 3.632 50 0 IHAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c(Cl)c1 ZINC000100036880 557238519 /nfs/dbraw/zinc/23/85/19/557238519.db2.gz PEVLPDUMASZYMB-PMACEKPBSA-N -1 0 439.903 3.704 50 0 IHAARM COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000026543053 557244208 /nfs/dbraw/zinc/24/42/08/557244208.db2.gz OSLJHEUIAXGVOG-UHFFFAOYSA-N -1 0 433.507 3.859 50 0 IHAARM CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000026549016 557244457 /nfs/dbraw/zinc/24/44/57/557244457.db2.gz JVIMYOQUWJJUKO-UHFFFAOYSA-N -1 0 436.839 3.627 50 0 IHAARM NC(=O)c1cc(-c2nc3ccc(Cl)cn3c2-c2c([O-])c3ccccc3oc2=O)ccc1O ZINC000604419526 557251481 /nfs/dbraw/zinc/25/14/81/557251481.db2.gz IRVPNVGSHCRZHX-UHFFFAOYSA-N -1 0 447.834 3.938 50 0 IHAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1Br ZINC000101167763 557258395 /nfs/dbraw/zinc/25/83/95/557258395.db2.gz UWXWQNWZHUYTQM-HOTGVXAUSA-N -1 0 449.692 3.605 50 0 IHAARM COc1ccc(OC)c([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)c1 ZINC000101300434 557270714 /nfs/dbraw/zinc/27/07/14/557270714.db2.gz PPSHBGVTRINHDS-FQEVSTJZSA-N -1 0 448.479 3.753 50 0 IHAARM Cc1[n-]n2c(nc(CSc3nnnn3-c3ccccc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000101078461 557282332 /nfs/dbraw/zinc/28/23/32/557282332.db2.gz DDZRZQACSZXKFS-UHFFFAOYSA-N -1 0 449.927 3.919 50 0 IHAARM CCOc1ccccc1[C@H]1CC(c2c([O-])n(C)c(=O)n(C)c2=O)=Nc2ccccc2S1 ZINC000101494863 557288801 /nfs/dbraw/zinc/28/88/01/557288801.db2.gz UYAUDDXFSFBFEF-LJQANCHMSA-N -1 0 437.521 3.546 50 0 IHAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)n(C)c1=O ZINC000101494727 557288814 /nfs/dbraw/zinc/28/88/14/557288814.db2.gz OHJASJBQUZDANI-KRWDZBQOSA-N -1 0 427.913 3.801 50 0 IHAARM COc1ccc(-n2c(=O)c(C(=O)N[C@H](C)c3ccc(F)cc3)c([O-])c3cccnc32)cc1 ZINC000101723272 557294774 /nfs/dbraw/zinc/29/47/74/557294774.db2.gz AFRUTQCESPUGMC-CQSZACIVSA-N -1 0 433.439 3.730 50 0 IHAARM CC(=O)NSC(C)(C)[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000045331588 557359437 /nfs/dbraw/zinc/35/94/37/557359437.db2.gz JVSWPSPQQHFYKM-HXUWFJFHSA-N -1 0 442.537 3.883 50 0 IHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2F)cc1Cl ZINC000102810930 557393102 /nfs/dbraw/zinc/39/31/02/557393102.db2.gz VHCMOVJZNDMKEJ-KRWDZBQOSA-N -1 0 442.834 3.920 50 0 IHAARM CSCC[C@H](NC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21)C(=O)[O-] ZINC000040310020 557711865 /nfs/dbraw/zinc/71/18/65/557711865.db2.gz LXWDRKPBEUZCAF-FQEVSTJZSA-N -1 0 426.538 3.933 50 0 biogenic IHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)s1 ZINC000001498299 562922359 /nfs/dbraw/zinc/92/23/59/562922359.db2.gz IKQKVWNUNYXROJ-LFYBBSHMSA-N -1 0 432.502 3.692 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3C)cc2)no1 ZINC000001904189 562925309 /nfs/dbraw/zinc/92/53/09/562925309.db2.gz YXXHXCWDSQDQGS-UHFFFAOYSA-N -1 0 429.498 3.890 50 0 IHAARM Cc1ccc2cc3c([N-]S(=O)(=O)c4cccc5nonc54)nn(CC(C)C)c3nc2c1 ZINC000009187814 562968029 /nfs/dbraw/zinc/96/80/29/562968029.db2.gz XQBJRURQOYIJHI-UHFFFAOYSA-N -1 0 436.497 3.886 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)cc1 ZINC000009685318 562975483 /nfs/dbraw/zinc/97/54/83/562975483.db2.gz WPXDEVMVPVSNGI-UHFFFAOYSA-N -1 0 433.574 3.858 50 0 IHAARM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000009707406 562975693 /nfs/dbraw/zinc/97/56/93/562975693.db2.gz PXSKHAPFQQPOQH-UHFFFAOYSA-N -1 0 427.432 3.773 50 0 IHAARM COc1cc(/C=C/C(=O)[O-])ccc1OS(=O)(=O)c1cc(Br)ccc1C ZINC000009960279 562977862 /nfs/dbraw/zinc/97/78/62/562977862.db2.gz WWSZXKUUUMBIJO-VMPITWQZSA-N -1 0 427.272 3.632 50 0 IHAARM O=C([O-])c1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(Br)o2)c1 ZINC000000915811 568636994 /nfs/dbraw/zinc/63/69/94/568636994.db2.gz GXJAYURGBVBEPA-UVTDQMKNSA-N -1 0 445.225 3.743 50 0 IHAARM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c1 ZINC000000943969 568641862 /nfs/dbraw/zinc/64/18/62/568641862.db2.gz LFDZYLFEKDQVPS-UHFFFAOYSA-N -1 0 440.525 3.529 50 0 IHAARM CC(=O)O[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000257350082 568731346 /nfs/dbraw/zinc/73/13/46/568731346.db2.gz UQDCTELYBPUWFG-PVKOCZBKSA-N -1 0 448.556 3.772 50 0 IHAARM COc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)[O-] ZINC000084187891 568796025 /nfs/dbraw/zinc/79/60/25/568796025.db2.gz KRUQVFYPCLZGPD-UHFFFAOYSA-N -1 0 434.695 3.919 50 0 IHAARM C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000084678328 568799818 /nfs/dbraw/zinc/79/98/18/568799818.db2.gz PEZSDRFLJGUZJN-ZANVPECISA-N -1 0 435.811 3.812 50 0 IHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1Cl ZINC000015730636 568814217 /nfs/dbraw/zinc/81/42/17/568814217.db2.gz PJARJQRGCVHLNI-JTQLQIEISA-N -1 0 442.946 3.838 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(OC(F)F)cc1 ZINC000001465957 568820249 /nfs/dbraw/zinc/82/02/49/568820249.db2.gz QWUYBGBBAWUVHG-UHFFFAOYSA-N -1 0 425.438 3.798 50 0 IHAARM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000015781407 568825757 /nfs/dbraw/zinc/82/57/57/568825757.db2.gz PHVGSFXCKLTVJY-UHFFFAOYSA-N -1 0 434.992 3.695 50 0 IHAARM O=C(Nc1ccccc1F)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000006147019 568846283 /nfs/dbraw/zinc/84/62/83/568846283.db2.gz CKZFESGAFMJHAL-UHFFFAOYSA-N -1 0 428.441 3.650 50 0 IHAARM COc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc(OC)c3OC)C2)c1 ZINC000089469732 568926391 /nfs/dbraw/zinc/92/63/91/568926391.db2.gz AYIPHNMHRZNKKQ-IBGZPJMESA-N -1 0 426.469 3.645 50 0 IHAARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O ZINC000035829524 568928154 /nfs/dbraw/zinc/92/81/54/568928154.db2.gz WZNFICHXAYZRPN-NDENLUEZSA-N -1 0 438.434 3.902 50 0 IHAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1O ZINC000054360727 568940549 /nfs/dbraw/zinc/94/05/49/568940549.db2.gz UCCWRCVRBGHAPZ-SXGWCWSVSA-N -1 0 446.868 3.809 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CCC1)C2 ZINC000065196285 569115684 /nfs/dbraw/zinc/11/56/84/569115684.db2.gz NIMSMQWLFDQLFM-UHFFFAOYSA-N -1 0 440.974 3.896 50 0 IHAARM CC(C)Oc1ccc(-c2noc(-c3c([O-])c4cnn(Cc5ccccc5)c4[nH]c3=O)n2)cc1 ZINC000065256927 569123379 /nfs/dbraw/zinc/12/33/79/569123379.db2.gz AMTPMUFDIQNJIE-UHFFFAOYSA-N -1 0 443.463 3.983 50 0 IHAARM COc1cc(OC)cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000013137191 569125665 /nfs/dbraw/zinc/12/56/65/569125665.db2.gz MFJADUMQEVAHOI-UHFFFAOYSA-N -1 0 442.493 3.766 50 0 IHAARM C[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)[C@@H]1COc2ccccc21 ZINC000170592179 569141099 /nfs/dbraw/zinc/14/10/99/569141099.db2.gz CBNYNRIXQWEHPA-PXAZEXFGSA-N -1 0 445.397 3.884 50 0 IHAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(-n4cnc(N(C)C)n4)c3)s2)cs1 ZINC000170610501 569145036 /nfs/dbraw/zinc/14/50/36/569145036.db2.gz UEWOGETXSFDYSP-UHFFFAOYSA-N -1 0 446.583 3.628 50 0 IHAARM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[nH]3)cc2)cc1Cl ZINC000170621767 569147723 /nfs/dbraw/zinc/14/77/23/569147723.db2.gz MGGFTMNMAXJJKY-UHFFFAOYSA-N -1 0 440.308 3.862 50 0 IHAARM O=C([O-])C1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCC2)CC1 ZINC000009882170 569149514 /nfs/dbraw/zinc/14/95/14/569149514.db2.gz KZIBNPYLROUQTF-UHFFFAOYSA-N -1 0 432.521 3.615 50 0 IHAARM Cc1c(O)ccc2c(C)c(CCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(=O)oc12 ZINC000002152829 569187434 /nfs/dbraw/zinc/18/74/34/569187434.db2.gz VXXBLFBJVYFOLM-UHFFFAOYSA-N -1 0 449.503 3.693 50 0 biogenic IHAARM COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2ccc(C(=O)c3ccccc3)c([O-])c21 ZINC000253412310 569265897 /nfs/dbraw/zinc/26/58/97/569265897.db2.gz QOWICSNJSUKTKG-SFHVURJKSA-N -1 0 432.428 3.616 50 0 biogenic IHAARM CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)[O-])n(-c4ccc(OC)cc4)c(=O)c32)CO1 ZINC000002298725 569268421 /nfs/dbraw/zinc/26/84/21/569268421.db2.gz PRJMNXSABLIGST-NRFANRHFSA-N -1 0 446.550 3.874 50 0 IHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)c1ncccc1O2 ZINC000065241523 569293990 /nfs/dbraw/zinc/29/39/90/569293990.db2.gz KUPZIQKRCGHBMO-UHFFFAOYSA-N -1 0 425.466 3.663 50 0 IHAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCc3c(Br)cccc3C2)cc1 ZINC000095989934 569378216 /nfs/dbraw/zinc/37/82/16/569378216.db2.gz LMSPVFOIMTXKEB-UHFFFAOYSA-N -1 0 440.297 3.840 50 0 IHAARM CC(=O)c1ccc([O-])c(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000095993578 569378447 /nfs/dbraw/zinc/37/84/47/569378447.db2.gz OMWGRYWPRPRHHO-UHFFFAOYSA-N -1 0 440.315 3.548 50 0 IHAARM CCOc1ccccc1S(=O)(=O)[N-]c1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096119651 569384797 /nfs/dbraw/zinc/38/47/97/569384797.db2.gz MFDORCXMHFOBCT-UHFFFAOYSA-N -1 0 436.493 3.922 50 0 IHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(Br)c2)c1 ZINC000096361130 569397661 /nfs/dbraw/zinc/39/76/61/569397661.db2.gz PCWJDHZEBKBYAY-UHFFFAOYSA-N -1 0 449.330 3.842 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000097161358 569403241 /nfs/dbraw/zinc/40/32/41/569403241.db2.gz JIHXJNKMXBBXHN-UHFFFAOYSA-N -1 0 434.905 3.668 50 0 IHAARM Cn1c2cc([N-]S(=O)(=O)c3cccs3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000028049162 569406725 /nfs/dbraw/zinc/40/67/25/569406725.db2.gz CTBPQZNWAVNYEK-UHFFFAOYSA-N -1 0 431.564 3.891 50 0 IHAARM CCN(CC)S(=O)(=O)c1ccc(N=Nc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000254739564 569429434 /nfs/dbraw/zinc/42/94/34/569429434.db2.gz NAGPDNIXMBZHPC-UHFFFAOYSA-N -1 0 447.948 3.561 50 0 IHAARM COc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000029637450 569431547 /nfs/dbraw/zinc/43/15/47/569431547.db2.gz UTNROAFIWHQUPZ-OAQYLSRUSA-N -1 0 442.468 3.577 50 0 IHAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000002965573 569433078 /nfs/dbraw/zinc/43/30/78/569433078.db2.gz BXJOEYHUCFSBKF-OAQYLSRUSA-N -1 0 446.576 3.616 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)cc1Br ZINC000031776718 569457346 /nfs/dbraw/zinc/45/73/46/569457346.db2.gz VGVDQKYBEQYROQ-UHFFFAOYSA-N -1 0 447.738 3.614 50 0 IHAARM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000032072029 569459261 /nfs/dbraw/zinc/45/92/61/569459261.db2.gz GZWIQZZEZCNFAA-SFHVURJKSA-N -1 0 434.359 3.935 50 0 IHAARM COc1cc2c(c3oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c13)CCC(C)(C)O2 ZINC000008765147 569474751 /nfs/dbraw/zinc/47/47/51/569474751.db2.gz UKQXWNYNWVWRBL-UHFFFAOYSA-N -1 0 445.512 3.517 50 0 biogenic IHAARM CCOc1ccc(NC(=O)C[C@@H](CC2=NCCc3cc(OC)c(OC)cc32)C(=O)[O-])cc1 ZINC000008876203 569481047 /nfs/dbraw/zinc/48/10/47/569481047.db2.gz BUUDZFQRYMVMEN-MRXNPFEDSA-N -1 0 440.496 3.567 50 0 biogenic IHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000008977220 569492963 /nfs/dbraw/zinc/49/29/63/569492963.db2.gz DYFHLDCOQKBSJD-UHFFFAOYSA-N -1 0 446.912 3.941 50 0 IHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F ZINC000040283328 569497881 /nfs/dbraw/zinc/49/78/81/569497881.db2.gz KKXGEQBJMLSPLA-AZUAARDMSA-N -1 0 442.878 3.555 50 0 IHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(Br)cc2C[C@@H]1C ZINC000040450611 569506381 /nfs/dbraw/zinc/50/63/81/569506381.db2.gz RESGYOKMQICWOY-JTQLQIEISA-N -1 0 427.295 3.687 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=S)NC(=O)c2ccco2)c1 ZINC000009138415 569507214 /nfs/dbraw/zinc/50/72/14/569507214.db2.gz GDPOOCNYNRORGL-UHFFFAOYSA-N -1 0 445.522 3.524 50 0 IHAARM Cc1nc2ccccc2n1CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009466734 569538279 /nfs/dbraw/zinc/53/82/79/569538279.db2.gz HVOIEOBMXCKBQK-UHFFFAOYSA-N -1 0 440.550 3.637 50 0 IHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000009680214 569560115 /nfs/dbraw/zinc/56/01/15/569560115.db2.gz BZZJIMUBLNPVFP-UHFFFAOYSA-N -1 0 433.917 3.718 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)cc1 ZINC000009828572 569569734 /nfs/dbraw/zinc/56/97/34/569569734.db2.gz XQPOKGGQMJJODQ-UHFFFAOYSA-N -1 0 435.958 3.765 50 0 IHAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2nnc(C)s2)cc3=O)cc1OC ZINC000010338923 569581354 /nfs/dbraw/zinc/58/13/54/569581354.db2.gz HCDWWRBLKDOVDK-UHFFFAOYSA-N -1 0 429.527 3.880 50 0 IHAARM CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000071798577 569581504 /nfs/dbraw/zinc/58/15/04/569581504.db2.gz INBYJFJSWCBZOJ-UHFFFAOYSA-N -1 0 433.711 3.668 50 0 IHAARM O=C(NC(c1ccccc1)c1ccccc1)c1cnc([O-])n(Cc2ccccc2F)c1=O ZINC000077099855 569585306 /nfs/dbraw/zinc/58/53/06/569585306.db2.gz NYIRDIXXJDRZDB-UHFFFAOYSA-N -1 0 429.451 3.656 50 0 IHAARM O=C([O-])[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(Br)cc1 ZINC000531998298 569587945 /nfs/dbraw/zinc/58/79/45/569587945.db2.gz OHCBEIQUWXXHKH-MRXNPFEDSA-N -1 0 434.677 3.844 50 0 IHAARM C[C@H](Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)C(=O)[O-] ZINC000002398553 132253763 /nfs/dbraw/zinc/25/37/63/132253763.db2.gz QFIBGTBUTSLTIB-NSHDSACASA-N -1 0 430.555 3.520 50 0 IHAARM Cc1ccc2[nH]c(C(=O)[O-])c(NC(=O)CN3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000009266716 132311948 /nfs/dbraw/zinc/31/19/48/132311948.db2.gz BRJZCEMUVXUOFM-UHFFFAOYSA-N -1 0 426.904 3.589 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)[n-]c1=O ZINC000035377929 519750302 /nfs/dbraw/zinc/75/03/02/519750302.db2.gz WBAPBDLKAZKSQK-UHFFFAOYSA-N -1 0 443.916 3.895 50 0 IHAARM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000012521123 520430450 /nfs/dbraw/zinc/43/04/50/520430450.db2.gz WZGJGBZCQBXFET-UHFFFAOYSA-N -1 0 434.942 3.701 50 0 IHAARM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2F)CC1 ZINC000022853482 520582330 /nfs/dbraw/zinc/58/23/30/520582330.db2.gz BTBNVJKJOYMJGY-QGZVFWFLSA-N -1 0 432.521 3.562 50 0 IHAARM CCCc1ccc(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)cc1 ZINC000012650434 521412949 /nfs/dbraw/zinc/41/29/49/521412949.db2.gz YHLUMXXEBMCJQU-UHFFFAOYSA-N -1 0 428.510 3.659 50 0 IHAARM CCOCCCNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361394 521714178 /nfs/dbraw/zinc/71/41/78/521714178.db2.gz LYFDGQWHEPIHDT-UHFFFAOYSA-N -1 0 434.543 3.645 50 0 IHAARM COc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000012552497 524066760 /nfs/dbraw/zinc/06/67/60/524066760.db2.gz YSBYIGDZDJLIRG-UHFFFAOYSA-N -1 0 444.484 3.574 50 0 IHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000021601546 524194364 /nfs/dbraw/zinc/19/43/64/524194364.db2.gz VWZFSGKUOOZRRX-INIZCTEOSA-N -1 0 432.542 3.564 50 0 IHAARM COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1 ZINC000020761515 524278995 /nfs/dbraw/zinc/27/89/95/524278995.db2.gz RUYHOQSAHIXKLV-IBGZPJMESA-N -1 0 435.505 3.655 50 0 biogenic IHAARM COc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012526032 524470852 /nfs/dbraw/zinc/47/08/52/524470852.db2.gz GYQLWCCWADVCAE-UHFFFAOYSA-N -1 0 425.304 3.607 50 0 IHAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1 ZINC000012604810 525265592 /nfs/dbraw/zinc/26/55/92/525265592.db2.gz KRTODAZDGCGTCU-UHFFFAOYSA-N -1 0 425.475 3.545 50 0 IHAARM CSCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000011865555 525548755 /nfs/dbraw/zinc/54/87/55/525548755.db2.gz VIGFPSLQMXRSBD-QGZVFWFLSA-N -1 0 431.510 3.720 50 0 IHAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(C)n1C ZINC000020989805 525570128 /nfs/dbraw/zinc/57/01/28/525570128.db2.gz MYLQBARRFXAMAC-UHFFFAOYSA-N -1 0 445.463 3.577 50 0 IHAARM Cc1cc(Br)c([O-])c(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 ZINC000065476579 526153555 /nfs/dbraw/zinc/15/35/55/526153555.db2.gz HGFXSRATRWRFSU-UHFFFAOYSA-N -1 0 427.298 3.603 50 0 IHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CCCCCC1 ZINC000035397428 526353913 /nfs/dbraw/zinc/35/39/13/526353913.db2.gz GNBWMAMAKISTLP-UHFFFAOYSA-N -1 0 429.542 3.840 50 0 IHAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000012508198 526602316 /nfs/dbraw/zinc/60/23/16/526602316.db2.gz WBNTVRSEGPRTAJ-SNVBAGLBSA-N -1 0 435.354 3.765 50 0 IHAARM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157429 527205615 /nfs/dbraw/zinc/20/56/15/527205615.db2.gz STGJXGFNKBZXAR-LJQANCHMSA-N -1 0 441.507 3.995 50 0 IHAARM Cc1nc2sc([C@@H](c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023158134 527206689 /nfs/dbraw/zinc/20/66/89/527206689.db2.gz GTIVCMRNNXEBGP-QGZVFWFLSA-N -1 0 429.933 3.963 50 0 IHAARM Cn1ccnc1[C@H](NC(=O)COc1c(Cl)cc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000012535333 527463867 /nfs/dbraw/zinc/46/38/67/527463867.db2.gz PSEONZPBMRPFMF-QGZVFWFLSA-N -1 0 434.279 3.710 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000000665943 555528292 /nfs/dbraw/zinc/52/82/92/555528292.db2.gz RIDBUQSTYVVMCU-MRXNPFEDSA-N -1 0 437.521 3.937 50 0 IHAARM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000795302 555558038 /nfs/dbraw/zinc/55/80/38/555558038.db2.gz FJATYXIIJZBJBT-UHFFFAOYSA-N -1 0 446.916 3.727 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3)ccc2OC)cc1 ZINC000000854187 555571004 /nfs/dbraw/zinc/57/10/04/555571004.db2.gz JASMOZCTLZYRTB-UHFFFAOYSA-N -1 0 442.493 3.766 50 0 IHAARM O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001153525 555657448 /nfs/dbraw/zinc/65/74/48/555657448.db2.gz UIUBIZQIHWQRLB-ZOWXZIJZSA-N -1 0 438.349 3.871 50 0 IHAARM COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000002117131 555744958 /nfs/dbraw/zinc/74/49/58/555744958.db2.gz CNJKNYMSRBTEAR-JCMHNJIXSA-N -1 0 446.459 3.812 50 0 biogenic IHAARM CC(C)(C)OC(=O)NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002569793 555787948 /nfs/dbraw/zinc/78/79/48/555787948.db2.gz PKAUMAVONPSDRW-LJQANCHMSA-N -1 0 426.469 3.503 50 0 IHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)c1 ZINC000034765142 555905963 /nfs/dbraw/zinc/90/59/63/555905963.db2.gz PZTXQEVYVCWCMR-QGZVFWFLSA-N -1 0 436.512 3.549 50 0 IHAARM CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000004199818 555976014 /nfs/dbraw/zinc/97/60/14/555976014.db2.gz URUDGDDQSSVEET-OHFALNGGSA-N -1 0 447.484 3.856 50 0 IHAARM Cc1c(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)nn1C ZINC000002776962 556140763 /nfs/dbraw/zinc/14/07/63/556140763.db2.gz ODPPRBZUQCFFGS-GFCCVEGCSA-N -1 0 447.992 3.997 50 0 IHAARM Cn1cc(Br)c(C(=O)[N-]c2c(F)c(F)c(Br)c(F)c2F)n1 ZINC000002778490 556141097 /nfs/dbraw/zinc/14/10/97/556141097.db2.gz QWSNBKQRAWMMOY-UHFFFAOYSA-N -1 0 430.981 3.754 50 0 IHAARM COC(=O)c1sc(-c2cccs2)cc1[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000008618180 556192917 /nfs/dbraw/zinc/19/29/17/556192917.db2.gz NBKPYXPRGGESAL-UHFFFAOYSA-N -1 0 443.549 3.912 50 0 IHAARM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013811309 556312520 /nfs/dbraw/zinc/31/25/20/556312520.db2.gz JRCAJBKWMVHQDJ-VSKRKVRLSA-N -1 0 428.444 3.744 50 0 IHAARM COc1cc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc(OC)c1OC ZINC000010127988 556326616 /nfs/dbraw/zinc/32/66/16/556326616.db2.gz NSGNPUWGLJEXBL-UHFFFAOYSA-N -1 0 431.297 3.852 50 0 IHAARM Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(=O)[n-]2)c(Cl)c1 ZINC000032836334 556418249 /nfs/dbraw/zinc/41/82/49/556418249.db2.gz WFWSQWXCVYICHL-UHFFFAOYSA-N -1 0 444.900 3.708 50 0 IHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000028793861 556461011 /nfs/dbraw/zinc/46/10/11/556461011.db2.gz NRLJYBDHVQZREB-UHFFFAOYSA-N -1 0 434.470 3.727 50 0 IHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000015746143 556548193 /nfs/dbraw/zinc/54/81/93/556548193.db2.gz ILXJLBDYUHHFTO-BIRYMOPTSA-N -1 0 438.867 3.516 50 0 IHAARM CC(C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC1 ZINC000033115354 556554967 /nfs/dbraw/zinc/55/49/67/556554967.db2.gz AENXMJIATWLTEJ-UHFFFAOYSA-N -1 0 443.388 3.868 50 0 IHAARM COc1ccc(NC(=O)[C@H]2CCCO2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015900380 556562597 /nfs/dbraw/zinc/56/25/97/556562597.db2.gz GMMRLUNUJYKVLF-QGZVFWFLSA-N -1 0 445.324 3.920 50 0 IHAARM CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000015769799 556572140 /nfs/dbraw/zinc/57/21/40/556572140.db2.gz UCXZFTJEIJFXRD-FQEVSTJZSA-N -1 0 442.899 3.849 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)NCCCSC)ccc1C ZINC000016219219 556592136 /nfs/dbraw/zinc/59/21/36/556592136.db2.gz QUPZLGFDRNOSJP-UHFFFAOYSA-N -1 0 439.628 3.844 50 0 IHAARM CCOc1ccc(CC2C(=O)N=C(SCc3cc(C(C)=O)ccc3OC)N=C2[O-])cc1 ZINC000016361340 556602638 /nfs/dbraw/zinc/60/26/38/556602638.db2.gz YGQDZTJDPWZERT-UHFFFAOYSA-N -1 0 440.521 3.969 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)[nH]n2)cc1 ZINC000032984999 556604523 /nfs/dbraw/zinc/60/45/23/556604523.db2.gz MRFZYLQHJBEWOK-UHFFFAOYSA-N -1 0 434.905 3.823 50 0 IHAARM Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)coc2c1 ZINC000016752995 556638120 /nfs/dbraw/zinc/63/81/20/556638120.db2.gz WBKYVKJCGKVFSU-UHFFFAOYSA-N -1 0 436.493 3.822 50 0 IHAARM O=C([N-]n1c(=O)c2c3c(sc2[nH]c1=S)CCC3)c1cc(Br)cs1 ZINC000017095732 556659275 /nfs/dbraw/zinc/65/92/75/556659275.db2.gz GFMLHIRNEDRFGN-UHFFFAOYSA-N -1 0 428.358 3.817 50 0 IHAARM COc1ccc(-n2c(CNC(=O)COc3ccc(Cl)cc3Cl)n[n-]c2=S)cc1 ZINC000013524416 556678004 /nfs/dbraw/zinc/67/80/04/556678004.db2.gz ONMBAANJHIDTNP-UHFFFAOYSA-N -1 0 439.324 3.940 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ncc(-c4ccccc4)o3)cc2)nc(C)n1 ZINC000206585487 556767626 /nfs/dbraw/zinc/76/76/26/556767626.db2.gz QWRMDFWNXUTPBZ-UHFFFAOYSA-N -1 0 449.492 3.802 50 0 IHAARM C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@@H](C)CO1 ZINC000058703181 556791256 /nfs/dbraw/zinc/79/12/56/556791256.db2.gz YNIRCSWYXWRPTD-STQMWFEESA-N -1 0 426.897 3.529 50 0 IHAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157539 557030460 /nfs/dbraw/zinc/03/04/60/557030460.db2.gz XWSIZWDVZWACEH-IBGZPJMESA-N -1 0 441.507 3.995 50 0 IHAARM CN(C)C(=O)[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000017480916 557094490 /nfs/dbraw/zinc/09/44/90/557094490.db2.gz CROLHEFJHSDTOR-IBGZPJMESA-N -1 0 444.534 3.535 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)s1 ZINC000024070313 557135153 /nfs/dbraw/zinc/13/51/53/557135153.db2.gz QIFZXLWURDVNLN-UHFFFAOYSA-N -1 0 428.601 3.649 50 0 IHAARM O=C(NCc1ccccc1F)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000011403225 557141997 /nfs/dbraw/zinc/14/19/97/557141997.db2.gz IFMSIEMZVDKLBF-UHFFFAOYSA-N -1 0 434.876 3.916 50 0 IHAARM COc1cccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)c1 ZINC000018066568 557234611 /nfs/dbraw/zinc/23/46/11/557234611.db2.gz NWCVKNREMOYHHI-ZRBLBEILSA-N -1 0 430.460 3.755 50 0 IHAARM COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000098212008 557235457 /nfs/dbraw/zinc/23/54/57/557235457.db2.gz LJVGBJOGAPLZKI-UHFFFAOYSA-N -1 0 446.506 3.532 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)cc1Cl ZINC000100036783 557238545 /nfs/dbraw/zinc/23/85/45/557238545.db2.gz RMWSXCFYCONVBX-MSOLQXFVSA-N -1 0 446.294 3.542 50 0 IHAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)n1 ZINC000101262369 557265401 /nfs/dbraw/zinc/26/54/01/557265401.db2.gz AEJGYEDVKNVTJQ-PMACEKPBSA-N -1 0 430.468 3.662 50 0 IHAARM COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101216365 557265719 /nfs/dbraw/zinc/26/57/19/557265719.db2.gz ZLZSJHPCWCFJIS-OAQYLSRUSA-N -1 0 426.432 3.652 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1C ZINC000101277589 557266393 /nfs/dbraw/zinc/26/63/93/557266393.db2.gz VNVKFMKQYAKQTH-ZWKOTPCHSA-N -1 0 436.859 3.500 50 0 IHAARM COc1cccc(-n2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c([O-])c3cccnc32)c1 ZINC000101722478 557294713 /nfs/dbraw/zinc/29/47/13/557294713.db2.gz YWOKDNJPYBJTMF-UHFFFAOYSA-N -1 0 435.867 3.683 50 0 IHAARM COc1ccc(-n2c(=O)c(C(=O)N[C@@H](C)c3ccc(F)cc3)c([O-])c3cccnc32)cc1 ZINC000101723268 557294755 /nfs/dbraw/zinc/29/47/55/557294755.db2.gz AFRUTQCESPUGMC-AWEZNQCLSA-N -1 0 433.439 3.730 50 0 IHAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccc(Cl)cc1 ZINC000101803564 557299262 /nfs/dbraw/zinc/29/92/62/557299262.db2.gz HBEKIURSXZOJLV-UHFFFAOYSA-N -1 0 437.887 3.625 50 0 IHAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)c1 ZINC000101893226 557306080 /nfs/dbraw/zinc/30/60/80/557306080.db2.gz TVUGXNSNLUQMCS-WOJBJXKFSA-N -1 0 430.468 3.662 50 0 IHAARM O=C(NCCc1ccc(Cl)cc1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693230 557390494 /nfs/dbraw/zinc/39/04/94/557390494.db2.gz XEORGFMPISCQIZ-UHFFFAOYSA-N -1 0 427.960 3.631 50 0 IHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccs2)cc1Cl ZINC000102810889 557393127 /nfs/dbraw/zinc/39/31/27/557393127.db2.gz KVWIBVZNLOWLLH-AWEZNQCLSA-N -1 0 430.873 3.842 50 0 IHAARM Cc1cc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)ccc1Br ZINC000102818398 557393497 /nfs/dbraw/zinc/39/34/97/557393497.db2.gz OZRXRWSFMADBQM-MSOLQXFVSA-N -1 0 425.286 3.744 50 0 IHAARM Cc1ccc(-c2nc(SCC(=O)N3CCCC3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000011695915 557393620 /nfs/dbraw/zinc/39/36/20/557393620.db2.gz FBCPMLSLSZJTOH-UHFFFAOYSA-N -1 0 441.578 3.932 50 0 IHAARM O=C1[N-]C(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@H]32)C(=O)N1c1ccccc1 ZINC000033429085 557396751 /nfs/dbraw/zinc/39/67/51/557396751.db2.gz ZPPJXXSXZFDYCE-UWJYYQICSA-N -1 0 445.397 3.576 50 0 IHAARM COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205977034 557401436 /nfs/dbraw/zinc/40/14/36/557401436.db2.gz KLZPYQQZRLGSLE-NRFANRHFSA-N -1 0 444.487 3.717 50 0 IHAARM O=C(N[C@H]1CCOc2ccccc21)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000103617256 557439302 /nfs/dbraw/zinc/43/93/02/557439302.db2.gz IRCJDYXNJUGFCF-SFHVURJKSA-N -1 0 433.489 3.580 50 0 IHAARM CC(C)S(=O)(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000225398414 557718551 /nfs/dbraw/zinc/71/85/51/557718551.db2.gz XPIPSAGDMVLQOM-GFCCVEGCSA-N -1 0 429.947 3.646 50 0 IHAARM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cccc(F)c3)cc21 ZINC000040450425 557733986 /nfs/dbraw/zinc/73/39/86/557733986.db2.gz UDPDBQVDQUBQON-UHFFFAOYSA-N -1 0 439.306 3.688 50 0 IHAARM COc1ccc([C@@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000225849242 557785053 /nfs/dbraw/zinc/78/50/53/557785053.db2.gz HHGJPNYGJXQAHA-FQEVSTJZSA-N -1 0 426.469 3.645 50 0 IHAARM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000241738517 557846845 /nfs/dbraw/zinc/84/68/45/557846845.db2.gz QYECUXBGFANBQY-UHFFFAOYSA-N -1 0 442.878 3.770 50 0 IHAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c12 ZINC000002125721 562925932 /nfs/dbraw/zinc/92/59/32/562925932.db2.gz HDVJNJXOXALKRD-UHFFFAOYSA-N -1 0 449.503 3.688 50 0 biogenic IHAARM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)c(OC)c1 ZINC000008610061 562958088 /nfs/dbraw/zinc/95/80/88/562958088.db2.gz IBRQKWMQNVYDPO-UHFFFAOYSA-N -1 0 440.525 3.562 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC)cc1 ZINC000008685529 562962572 /nfs/dbraw/zinc/96/25/72/562962572.db2.gz WSZIQTVENBULME-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c(C)c1 ZINC000038818377 563098465 /nfs/dbraw/zinc/09/84/65/563098465.db2.gz TVSXCYDGVDCAJC-UHFFFAOYSA-N -1 0 440.525 3.529 50 0 IHAARM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000046009575 563134893 /nfs/dbraw/zinc/13/48/93/563134893.db2.gz JFYSITYEIVQUDT-UHFFFAOYSA-N -1 0 441.484 3.918 50 0 IHAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1 ZINC000045967631 568783835 /nfs/dbraw/zinc/78/38/35/568783835.db2.gz ZEUBZLZIUXEGAE-UHFFFAOYSA-N -1 0 431.876 3.569 50 0 IHAARM CC(NCc1ccccc1Br)=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000001407334 568787193 /nfs/dbraw/zinc/78/71/93/568787193.db2.gz UKJFBIOVHKUVCF-LFIBNONCSA-N -1 0 448.704 3.749 50 0 IHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1 ZINC000085664778 568833886 /nfs/dbraw/zinc/83/38/86/568833886.db2.gz LXTIKRUPZIGOMA-UHFFFAOYSA-N -1 0 430.433 3.916 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NCc3nnc(-c4ccccc4)o3)cc2)nc(C)n1 ZINC000006142829 568845437 /nfs/dbraw/zinc/84/54/37/568845437.db2.gz PDUDKBZQFJDRIS-UHFFFAOYSA-N -1 0 436.497 3.556 50 0 IHAARM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000015870481 568851743 /nfs/dbraw/zinc/85/17/43/568851743.db2.gz JYPFJWWNCAHQHL-UHFFFAOYSA-N -1 0 437.569 3.993 50 0 IHAARM CC(NCCc1c(C)[nH]c2c1c(C)ccc2C)=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000575443672 568869612 /nfs/dbraw/zinc/86/96/12/568869612.db2.gz HEZZTFQIXNDMCI-PGMHBOJBSA-N -1 0 448.498 3.921 50 0 IHAARM C[C@@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253500177 568920257 /nfs/dbraw/zinc/92/02/57/568920257.db2.gz GHCZAUBVMUEKKP-DFJJGBOPSA-N -1 0 449.632 3.594 50 0 IHAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000035829496 568928038 /nfs/dbraw/zinc/92/80/38/568928038.db2.gz NQQGTJJBQDGLEE-ZDLGFXPLSA-N -1 0 426.835 3.772 50 0 IHAARM COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000064580436 568934238 /nfs/dbraw/zinc/93/42/38/568934238.db2.gz CXZPFYQJYBPTJX-UHFFFAOYSA-N -1 0 439.537 3.742 50 0 IHAARM COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000064580435 568934308 /nfs/dbraw/zinc/93/43/08/568934308.db2.gz UJRPKGAKCUXVOG-UHFFFAOYSA-N -1 0 445.928 3.779 50 0 IHAARM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000064580476 568934395 /nfs/dbraw/zinc/93/43/95/568934395.db2.gz SRYTZAUDCDSZFE-UHFFFAOYSA-N -1 0 439.537 3.688 50 0 IHAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000016690213 568938600 /nfs/dbraw/zinc/93/86/00/568938600.db2.gz KBSYGJSFRKOHPK-MRXNPFEDSA-N -1 0 449.964 3.576 50 0 IHAARM CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3NC(C)=O)c(=O)[n-]2)cc1 ZINC000064774872 568954079 /nfs/dbraw/zinc/95/40/79/568954079.db2.gz BMXDLPXQBCBAMG-UHFFFAOYSA-N -1 0 437.525 3.804 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000064774715 568954116 /nfs/dbraw/zinc/95/41/16/568954116.db2.gz JBBSILDRXKBIMJ-LBPRGKRZSA-N -1 0 441.488 3.851 50 0 IHAARM COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000064799196 568960785 /nfs/dbraw/zinc/96/07/85/568960785.db2.gz TVDIQHHXQANWOZ-MRXNPFEDSA-N -1 0 443.502 3.762 50 0 IHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1OC ZINC000065115947 569107001 /nfs/dbraw/zinc/10/70/01/569107001.db2.gz NNABBCGARJZGTH-UHFFFAOYSA-N -1 0 429.498 3.980 50 0 IHAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2OC)cc1 ZINC000065115949 569107043 /nfs/dbraw/zinc/10/70/43/569107043.db2.gz MAFYGMKNTZPCSN-UHFFFAOYSA-N -1 0 429.498 3.980 50 0 IHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137535 569110547 /nfs/dbraw/zinc/11/05/47/569110547.db2.gz ZUKUMWGAAVXMCV-UHFFFAOYSA-N -1 0 444.582 3.884 50 0 IHAARM Cc1cc(=O)n2nc(CNC(=O)c3ccccc3CSc3nc4ccccc4o3)[n-]c2n1 ZINC000170601756 569143107 /nfs/dbraw/zinc/14/31/07/569143107.db2.gz BKTSFDUMUWPEMA-UHFFFAOYSA-N -1 0 446.492 3.502 50 0 IHAARM COC(=O)c1cccc(CNC(=O)c2ccc(-n3[n-]c(Cc4ccccc4)cc3=O)cc2)c1 ZINC000170617957 569146875 /nfs/dbraw/zinc/14/68/75/569146875.db2.gz KFYOUIABHQZJBQ-UHFFFAOYSA-N -1 0 441.487 3.739 50 0 IHAARM CCOc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c2c1 ZINC000089914146 569167433 /nfs/dbraw/zinc/16/74/33/569167433.db2.gz JJVDUBYQSJTBTG-QFIPXVFZSA-N -1 0 447.491 3.778 50 0 IHAARM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)NCc1ccccc1 ZINC000017179155 569175646 /nfs/dbraw/zinc/17/56/46/569175646.db2.gz HMEMOLTYVQJTAF-UHFFFAOYSA-N -1 0 440.575 3.913 50 0 IHAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002096813 569179312 /nfs/dbraw/zinc/17/93/12/569179312.db2.gz ZBVLNKRDDHZZNS-SFHVURJKSA-N -1 0 425.481 3.947 50 0 biogenic IHAARM CCCC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)C(=O)[O-] ZINC000002158716 569187690 /nfs/dbraw/zinc/18/76/90/569187690.db2.gz KZZXHLPUPKWYDO-HXUWFJFHSA-N -1 0 439.464 3.607 50 0 biogenic IHAARM CCc1nc(C(=O)Nc2cccc(-n3ccc(C(=O)[O-])n3)c2)nn1-c1ccccc1Cl ZINC000170672292 569195266 /nfs/dbraw/zinc/19/52/66/569195266.db2.gz HVKZBPDAPBWLOR-UHFFFAOYSA-N -1 0 436.859 3.619 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)cc1)c1ccc(F)cc1 ZINC000079108565 569326065 /nfs/dbraw/zinc/32/60/65/569326065.db2.gz FVUODRHANPFCOW-UHFFFAOYSA-N -1 0 437.456 3.664 50 0 IHAARM CCOC(=O)c1cc(C)cc(Br)c1[N-]S(=O)(=O)c1cn([C@@H](C)CC)cn1 ZINC000095965991 569377357 /nfs/dbraw/zinc/37/73/57/569377357.db2.gz OMBNFLHEIOSMTN-LBPRGKRZSA-N -1 0 444.351 3.903 50 0 IHAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1O ZINC000095992726 569378305 /nfs/dbraw/zinc/37/83/05/569378305.db2.gz DVICCJBQVWZSJH-UHFFFAOYSA-N -1 0 434.695 3.820 50 0 IHAARM CN1C(=O)C[C@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])[C@@H]1c1ccccc1 ZINC000096003280 569379018 /nfs/dbraw/zinc/37/90/18/569379018.db2.gz FCEAZKIXXZXBOX-PXAZEXFGSA-N -1 0 437.721 3.758 50 0 IHAARM Cn1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1=O ZINC000096025163 569380609 /nfs/dbraw/zinc/38/06/09/569380609.db2.gz AYLPTFLIWNLUPC-UHFFFAOYSA-N -1 0 443.834 3.920 50 0 IHAARM COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000096311183 569392581 /nfs/dbraw/zinc/39/25/81/569392581.db2.gz GUWYJBHFDHBSGO-PLNGDYQASA-N -1 0 446.308 3.998 50 0 IHAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000096809886 569402492 /nfs/dbraw/zinc/40/24/92/569402492.db2.gz PFQMQVYFDWAUCW-FQEVSTJZSA-N -1 0 437.544 3.851 50 0 IHAARM C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000028743200 569419906 /nfs/dbraw/zinc/41/99/06/569419906.db2.gz ZYRKFDMLOIIITH-JTQLQIEISA-N -1 0 437.295 3.817 50 0 IHAARM CCOC(=O)NC([N-]c1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000004208176 569460918 /nfs/dbraw/zinc/46/09/18/569460918.db2.gz SYZCEWACJKQCME-UHFFFAOYSA-N -1 0 433.374 3.705 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)c(OC)c1 ZINC000008840948 569478433 /nfs/dbraw/zinc/47/84/33/569478433.db2.gz SFEJTIBKBDCFQT-UHFFFAOYSA-N -1 0 432.542 3.830 50 0 IHAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(C)c21 ZINC000008877117 569481227 /nfs/dbraw/zinc/48/12/27/569481227.db2.gz XLFLTDWBFDKUBR-SFHVURJKSA-N -1 0 433.460 3.819 50 0 biogenic IHAARM COc1ccc(CCNC(=O)c2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2C)cc1 ZINC000008978882 569493039 /nfs/dbraw/zinc/49/30/39/569493039.db2.gz OUZCOAOXOICCDT-UHFFFAOYSA-N -1 0 445.566 3.542 50 0 IHAARM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1C ZINC000009129410 569505723 /nfs/dbraw/zinc/50/57/23/569505723.db2.gz GVVBFWMZFUDONV-UHFFFAOYSA-N -1 0 434.942 3.619 50 0 IHAARM [O-]c1c(I)ncc(Cc2ccccc2)c1I ZINC000009144856 569507371 /nfs/dbraw/zinc/50/73/71/569507371.db2.gz FBNBEIARIUNECI-UHFFFAOYSA-N -1 0 437.018 3.587 50 0 IHAARM CC(C)c1ccc(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)cc1 ZINC000009378666 569527637 /nfs/dbraw/zinc/52/76/37/569527637.db2.gz HSFPQHGXRPHRQR-UHFFFAOYSA-N -1 0 428.510 3.829 50 0 IHAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccccc3)Sc3ccccc3N2)C1=O ZINC000009434007 569534664 /nfs/dbraw/zinc/53/46/64/569534664.db2.gz CUOQOUATNOEDKL-BWHWTHMTSA-N -1 0 437.521 3.705 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2cccnc2)cc1 ZINC000009439720 569535146 /nfs/dbraw/zinc/53/51/46/569535146.db2.gz CZJCUHIIIZLSEP-UHFFFAOYSA-N -1 0 444.538 3.709 50 0 IHAARM Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC(C(=O)[O-])CC5)C4=O)cc3)sc2c1 ZINC000009562296 569547292 /nfs/dbraw/zinc/54/72/92/569547292.db2.gz SCLOSRAVTIJKJR-LJQANCHMSA-N -1 0 449.532 3.700 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000009828718 569569819 /nfs/dbraw/zinc/56/98/19/569569819.db2.gz DMMHAJUEGONEFO-UHFFFAOYSA-N -1 0 425.894 3.918 50 0 IHAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000000627468 132227927 /nfs/dbraw/zinc/22/79/27/132227927.db2.gz SPHPJUVESOWRIY-SFTDATJTSA-N -1 0 447.535 3.563 50 0 IHAARM Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000000627444 132227952 /nfs/dbraw/zinc/22/79/52/132227952.db2.gz IOWZLWSWIYORIW-WOJBJXKFSA-N -1 0 447.535 3.563 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000003168989 132262054 /nfs/dbraw/zinc/26/20/54/132262054.db2.gz VGKPEHMEBNUXRS-UHFFFAOYSA-N -1 0 439.324 3.574 50 0 IHAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000010054984 132334255 /nfs/dbraw/zinc/33/42/55/132334255.db2.gz ITUMKZUMRMJZJL-UHFFFAOYSA-N -1 0 445.541 3.650 50 0 IHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)cc1 ZINC000020989890 518386632 /nfs/dbraw/zinc/38/66/32/518386632.db2.gz PUWHNPRJGSOFLX-UHFFFAOYSA-N -1 0 431.558 3.662 50 0 IHAARM CC(C)(C)C(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000012561072 518555989 /nfs/dbraw/zinc/55/59/89/518555989.db2.gz DJPVMJNPBCAIBG-UHFFFAOYSA-N -1 0 442.459 3.851 50 0 IHAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](CCSC)C(=O)[O-])cc2oc1=O ZINC000011866808 520137274 /nfs/dbraw/zinc/13/72/74/520137274.db2.gz AQIJSZWSLQTHAP-IBGZPJMESA-N -1 0 449.569 3.926 50 0 biogenic IHAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000015781908 520797395 /nfs/dbraw/zinc/79/73/95/520797395.db2.gz ZNZSJDYAVFILGU-QGZVFWFLSA-N -1 0 442.468 3.819 50 0 IHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC(=O)Nc1cccc3ccccc31)CC2 ZINC000021046031 523037185 /nfs/dbraw/zinc/03/71/85/523037185.db2.gz ZDTBQXFOIQEWJU-OAQYLSRUSA-N -1 0 434.492 3.870 50 0 IHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC(=O)Nc1cccc3ccccc31)CC2 ZINC000021046024 523045737 /nfs/dbraw/zinc/04/57/37/523045737.db2.gz ZDTBQXFOIQEWJU-NRFANRHFSA-N -1 0 434.492 3.870 50 0 IHAARM CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012508035 523278467 /nfs/dbraw/zinc/27/84/67/523278467.db2.gz GXVRQOCVXMRQOO-UHFFFAOYSA-N -1 0 430.507 3.550 50 0 IHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c1C ZINC000012551669 524191470 /nfs/dbraw/zinc/19/14/70/524191470.db2.gz LARZOQJQLAYBIQ-GFCCVEGCSA-N -1 0 437.468 3.828 50 0 IHAARM C[C@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000012549936 524492679 /nfs/dbraw/zinc/49/26/79/524492679.db2.gz OKOBVHGSHRFYFH-CYBMUJFWSA-N -1 0 437.468 3.531 50 0 IHAARM Cc1cc(C)n(CCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000024211373 524524118 /nfs/dbraw/zinc/52/41/18/524524118.db2.gz KZBKCMGUEKBAOQ-UHFFFAOYSA-N -1 0 446.960 3.774 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccccc2C)c1 ZINC000012548573 524644354 /nfs/dbraw/zinc/64/43/54/524644354.db2.gz MWOFSVDMLQFBEY-UHFFFAOYSA-N -1 0 426.494 3.691 50 0 IHAARM COc1ccccc1[C@@H](c1sc2nc(C)nn2c1[O-])N1CCN(c2ccccc2)CC1 ZINC000022626915 524744441 /nfs/dbraw/zinc/74/44/41/524744441.db2.gz ZCDCAXQEHUFEHF-FQEVSTJZSA-N -1 0 435.553 3.725 50 0 IHAARM Cc1cc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)ccc1Br ZINC000033114686 525099574 /nfs/dbraw/zinc/09/95/74/525099574.db2.gz OZRXRWSFMADBQM-QZTJIDSGSA-N -1 0 425.286 3.744 50 0 IHAARM CSCC[C@@H](NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl)C(=O)[O-] ZINC000041156806 525553148 /nfs/dbraw/zinc/55/31/48/525553148.db2.gz YTNJUXJAZMSZGY-CQSZACIVSA-N -1 0 425.963 3.667 50 0 IHAARM [O-]c1c([C@H](c2ccccc2Cl)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851893 526332330 /nfs/dbraw/zinc/33/23/30/526332330.db2.gz SVQBAGQLSQKRIM-INIZCTEOSA-N -1 0 430.917 3.956 50 0 IHAARM O=C(NCCc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012820769 526435349 /nfs/dbraw/zinc/43/53/49/526435349.db2.gz AFNBXZOMCWRTRB-UHFFFAOYSA-N -1 0 449.454 3.874 50 0 IHAARM Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627165 527206717 /nfs/dbraw/zinc/20/67/17/527206717.db2.gz ZVCUNTQOUIXAFF-LJQANCHMSA-N -1 0 441.507 3.995 50 0 IHAARM Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022627038 527207005 /nfs/dbraw/zinc/20/70/05/527207005.db2.gz WGWYNHCBQNMISZ-HXUWFJFHSA-N -1 0 437.544 3.851 50 0 IHAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000022626693 527207392 /nfs/dbraw/zinc/20/73/92/527207392.db2.gz JCKYSIBHMXJEEI-HFAKWTLXSA-N -1 0 437.363 3.766 50 0 IHAARM Cc1nc2sc([C@H](c3ccccc3F)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022627035 527207412 /nfs/dbraw/zinc/20/74/12/527207412.db2.gz WGWYNHCBQNMISZ-FQEVSTJZSA-N -1 0 437.544 3.851 50 0 IHAARM O=C([O-])COc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000012469466 527617698 /nfs/dbraw/zinc/61/76/98/527617698.db2.gz VFWCPRVYHMOYSO-YAXRCOADSA-N -1 0 447.852 3.769 50 0 IHAARM O=C([O-])Cn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nnc1-c1cccs1 ZINC000012814144 527640388 /nfs/dbraw/zinc/64/03/88/527640388.db2.gz LLVMYANVRZHKET-UHFFFAOYSA-N -1 0 446.598 3.516 50 0 IHAARM Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000000675068 555534118 /nfs/dbraw/zinc/53/41/18/555534118.db2.gz OQASFQBPAPEPAX-UHFFFAOYSA-N -1 0 440.525 3.529 50 0 IHAARM CC(C)(C)c1cc2oc(=O)c(I)c([O-])c2c(=O)n1-c1ccccc1 ZINC000000704374 555544277 /nfs/dbraw/zinc/54/42/77/555544277.db2.gz VUDJPWWRTACYSY-UHFFFAOYSA-N -1 0 437.233 3.552 50 0 IHAARM Cc1c(C(=O)[O-])cccc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O ZINC000001010647 555601891 /nfs/dbraw/zinc/60/18/91/555601891.db2.gz PZJMQDJGCLFYOQ-UHFFFAOYSA-N -1 0 426.384 3.662 50 0 IHAARM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000001088065 555626933 /nfs/dbraw/zinc/62/69/33/555626933.db2.gz YCXHTJUDKURKBK-PMACEKPBSA-N -1 0 446.525 3.716 50 0 IHAARM O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001139015 555648373 /nfs/dbraw/zinc/64/83/73/555648373.db2.gz ZXOYRKNVQIFCCM-MDZDMXLPSA-N -1 0 432.864 3.722 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)n1 ZINC000001180667 555671653 /nfs/dbraw/zinc/67/16/53/555671653.db2.gz YAJLCORBTXEFDZ-IZZDOVSWSA-N -1 0 428.901 3.891 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000001221177 555685911 /nfs/dbraw/zinc/68/59/11/555685911.db2.gz SAPQNNGAIHFCSH-IYZJKTGWSA-N -1 0 429.859 3.975 50 0 IHAARM Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000001421327 555695650 /nfs/dbraw/zinc/69/56/50/555695650.db2.gz NURVCEGCALPSSP-UHFFFAOYSA-N -1 0 432.354 3.912 50 0 IHAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000002268574 555764060 /nfs/dbraw/zinc/76/40/60/555764060.db2.gz SCKIRJLNOGYEGV-KRWDZBQOSA-N -1 0 427.379 3.709 50 0 IHAARM CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1CC(C)(C)OC2 ZINC000002476674 555783494 /nfs/dbraw/zinc/78/34/94/555783494.db2.gz HIQUIXTUNZZPLW-RYUDHWBXSA-N -1 0 441.933 3.948 50 0 IHAARM COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(O)c1 ZINC000002506606 555785099 /nfs/dbraw/zinc/78/50/99/555785099.db2.gz QNNSINGLLJSINC-QFIPXVFZSA-N -1 0 433.460 3.935 50 0 IHAARM CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560015 555787603 /nfs/dbraw/zinc/78/76/03/555787603.db2.gz MVWPBNQGEGBGRF-IBGZPJMESA-N -1 0 426.469 3.503 50 0 IHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002855067 555841103 /nfs/dbraw/zinc/84/11/03/555841103.db2.gz NMWCJPZSPXGTPC-UHFFFAOYSA-N -1 0 437.909 3.879 50 0 IHAARM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)c1C ZINC000006768352 556103655 /nfs/dbraw/zinc/10/36/55/556103655.db2.gz ZJTVHARAPPLVBB-UHFFFAOYSA-N -1 0 430.570 3.874 50 0 IHAARM O=C([O-])/C=C/C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000002628655 556116058 /nfs/dbraw/zinc/11/60/58/556116058.db2.gz BJXCGXTWMPCNRH-ZHACJKMWSA-N -1 0 426.270 3.559 50 0 IHAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000002789669 556139292 /nfs/dbraw/zinc/13/92/92/556139292.db2.gz CKVXHFKYUWACNT-UHFFFAOYSA-N -1 0 433.489 3.730 50 0 IHAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000002804651 556143013 /nfs/dbraw/zinc/14/30/13/556143013.db2.gz OGWNRURNVMYKQO-UHFFFAOYSA-N -1 0 433.843 3.733 50 0 IHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)s1 ZINC000008768238 556212965 /nfs/dbraw/zinc/21/29/65/556212965.db2.gz WNCAYAYLTGHDBM-UHFFFAOYSA-N -1 0 433.515 3.554 50 0 IHAARM O=C(NCCc1ccco1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013734796 556297465 /nfs/dbraw/zinc/29/74/65/556297465.db2.gz AQKQKVXDNZXBSU-UHFFFAOYSA-N -1 0 445.497 3.802 50 0 IHAARM CCOC(=O)N[C@@]([N-]c1nc2ccc(OCC)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000013756343 556300358 /nfs/dbraw/zinc/30/03/58/556300358.db2.gz ZHZBBMLWTPTIMU-INIZCTEOSA-N -1 0 435.424 3.675 50 0 IHAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)C1 ZINC000013949271 556344135 /nfs/dbraw/zinc/34/41/35/556344135.db2.gz UEMDJLRNJBVECH-BETUJISGSA-N -1 0 449.019 3.869 50 0 IHAARM CC(=O)Nc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)ccc1[O-] ZINC000013117565 556470159 /nfs/dbraw/zinc/47/01/59/556470159.db2.gz KIEDYYVUOUDFOW-UHFFFAOYSA-N -1 0 428.539 3.904 50 0 IHAARM CCc1ccc(N2C(=O)C[C@@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000013569690 556521479 /nfs/dbraw/zinc/52/14/79/556521479.db2.gz DTEOAPYOBULKDK-INIZCTEOSA-N -1 0 432.505 3.693 50 0 IHAARM CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000015769802 556572134 /nfs/dbraw/zinc/57/21/34/556572134.db2.gz UCXZFTJEIJFXRD-HXUWFJFHSA-N -1 0 442.899 3.849 50 0 IHAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000016154680 556585779 /nfs/dbraw/zinc/58/57/79/556585779.db2.gz YZYBUTKRNZRDPX-UHFFFAOYSA-N -1 0 447.431 3.693 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)cc1 ZINC000032984997 556604564 /nfs/dbraw/zinc/60/45/64/556604564.db2.gz TZSHLHAZEIQKLE-UHFFFAOYSA-N -1 0 434.905 3.823 50 0 IHAARM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2C)s1 ZINC000033007707 556656468 /nfs/dbraw/zinc/65/64/68/556656468.db2.gz DHTGSSMQIJACMM-UHFFFAOYSA-N -1 0 435.527 3.771 50 0 IHAARM O=S(=O)([N-]c1cc(Cl)cc(Br)c1O)c1ccc2c(c1)OCCCO2 ZINC000079014696 556736900 /nfs/dbraw/zinc/73/69/00/556736900.db2.gz YTPYTNALUFUHSO-UHFFFAOYSA-N -1 0 434.695 3.770 50 0 IHAARM COc1ccccc1C(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[n-]n3c2=O)C1 ZINC000097942000 556812778 /nfs/dbraw/zinc/81/27/78/556812778.db2.gz HVAUFDDBVCCOGE-UHFFFAOYSA-N -1 0 434.883 3.550 50 0 IHAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2ccc(C)cc2)C1 ZINC000019641199 556837318 /nfs/dbraw/zinc/83/73/18/556837318.db2.gz MHEFXENMIHPJHC-OAHLLOKOSA-N -1 0 444.553 3.541 50 0 IHAARM CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)cc1 ZINC000019644871 556839503 /nfs/dbraw/zinc/83/95/03/556839503.db2.gz OWPVXKILWPBWIN-UHFFFAOYSA-N -1 0 446.550 3.859 50 0 IHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)c1 ZINC000033171392 556882335 /nfs/dbraw/zinc/88/23/35/556882335.db2.gz PEYGAMXTXDHRCR-UHFFFAOYSA-N -1 0 438.509 3.831 50 0 IHAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000033253636 556894020 /nfs/dbraw/zinc/89/40/20/556894020.db2.gz KBDKOIRFXVHECQ-UHFFFAOYSA-N -1 0 427.320 3.794 50 0 IHAARM COC(=O)c1c2c(sc1N1C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C1=O)CCCC2 ZINC000019863016 556934319 /nfs/dbraw/zinc/93/43/19/556934319.db2.gz NDANZRMGMZZQKQ-HNNXBMFYSA-N -1 0 445.518 3.536 50 0 IHAARM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)ccc2OC)n1 ZINC000046020211 557021043 /nfs/dbraw/zinc/02/10/43/557021043.db2.gz DZJLMQQAYCTHNI-UHFFFAOYSA-N -1 0 433.486 3.516 50 0 IHAARM Cc1nc2sc([C@H](c3cccs3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023158272 557032325 /nfs/dbraw/zinc/03/23/25/557032325.db2.gz XHXPYXGGKRCAIJ-KRWDZBQOSA-N -1 0 429.546 3.917 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2F)c1 ZINC000022992473 557056479 /nfs/dbraw/zinc/05/64/79/557056479.db2.gz GPDUJJLTWQDFAC-UHFFFAOYSA-N -1 0 445.468 3.871 50 0 IHAARM C[C@@H]1CCCCN1C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000032948529 557059094 /nfs/dbraw/zinc/05/90/94/557059094.db2.gz XXTBZTMCRSWOSY-GFCCVEGCSA-N -1 0 432.596 3.998 50 0 IHAARM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000033299050 557075232 /nfs/dbraw/zinc/07/52/32/557075232.db2.gz CPZWTRQVFZDYAS-UHFFFAOYSA-N -1 0 430.960 3.934 50 0 IHAARM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000033299058 557075356 /nfs/dbraw/zinc/07/53/56/557075356.db2.gz COYVFHNAFAMMFW-UHFFFAOYSA-N -1 0 432.495 3.559 50 0 IHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)cc1 ZINC000033307953 557087213 /nfs/dbraw/zinc/08/72/13/557087213.db2.gz IJOJZRLUCHMOHH-UHFFFAOYSA-N -1 0 447.520 3.950 50 0 IHAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)Nc2ccccc2)cc1 ZINC000024973622 557184389 /nfs/dbraw/zinc/18/43/89/557184389.db2.gz NJYRIRPAADPFPE-UHFFFAOYSA-N -1 0 425.466 3.918 50 0 IHAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000018193234 557246960 /nfs/dbraw/zinc/24/69/60/557246960.db2.gz GRDHLHGQNRSHJQ-UHFFFAOYSA-N -1 0 430.460 3.777 50 0 IHAARM COc1ccc(OC)c([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)c1 ZINC000101300429 557270883 /nfs/dbraw/zinc/27/08/83/557270883.db2.gz PPSHBGVTRINHDS-HXUWFJFHSA-N -1 0 448.479 3.753 50 0 IHAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c(Cl)c1 ZINC000101352880 557274945 /nfs/dbraw/zinc/27/49/45/557274945.db2.gz CZKFXHKVOMZBCH-ROUUACIJSA-N -1 0 446.294 3.542 50 0 IHAARM Cc1cc(NC(=O)Cn2nc3c4cc(F)ccc4[nH]cc-3c2=O)ccc1Br ZINC000101801023 557298848 /nfs/dbraw/zinc/29/88/48/557298848.db2.gz IVANYPRDPAOCHX-UHFFFAOYSA-N -1 0 429.249 3.678 50 0 IHAARM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000033122311 557324719 /nfs/dbraw/zinc/32/47/19/557324719.db2.gz YQOZSWJOAOKMCO-UHFFFAOYSA-N -1 0 444.542 3.552 50 0 IHAARM O=S(=O)([N-]c1nccs1)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000072313000 557334551 /nfs/dbraw/zinc/33/45/51/557334551.db2.gz YBDWUBDATUJCBW-UHFFFAOYSA-N -1 0 447.922 3.537 50 0 IHAARM COc1ccc(/C=C(\NC(=O)c2ccccc2OC)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000033414185 557339223 /nfs/dbraw/zinc/33/92/23/557339223.db2.gz ZXAVQMGCJLQBST-QNGOZBTKSA-N -1 0 446.459 3.812 50 0 IHAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102693143 557364700 /nfs/dbraw/zinc/36/47/00/557364700.db2.gz MRIXZMITUCEVGP-RJGXRXQPSA-N -1 0 430.460 3.755 50 0 IHAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4OC)cc3)cn2n1 ZINC000011693579 557391934 /nfs/dbraw/zinc/39/19/34/557391934.db2.gz ODWPIBDZXKNPSZ-UHFFFAOYSA-N -1 0 444.900 3.868 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C)[n-]c1=O ZINC000044803220 557537049 /nfs/dbraw/zinc/53/70/49/557537049.db2.gz FIDDNSCDHDDECM-CQSZACIVSA-N -1 0 437.525 3.939 50 0 IHAARM CCn1c2ccc(Br)cc2nc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000225539234 557738586 /nfs/dbraw/zinc/73/85/86/557738586.db2.gz MELMKCFELIBZQW-UHFFFAOYSA-N -1 0 428.283 3.767 50 0 IHAARM O=C([O-])CCCN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000003026309 562931841 /nfs/dbraw/zinc/93/18/41/562931841.db2.gz MHBOHCFFKGNBQB-UHFFFAOYSA-N -1 0 430.295 3.644 50 0 IHAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000009427888 562970520 /nfs/dbraw/zinc/97/05/20/562970520.db2.gz PAKBTZWJGQABNP-UHFFFAOYSA-N -1 0 438.465 3.797 50 0 IHAARM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1cc(Br)ccc1Br ZINC000009492889 562972123 /nfs/dbraw/zinc/97/21/23/562972123.db2.gz WWSLGNHJIHOWLL-UHFFFAOYSA-N -1 0 431.109 3.889 50 0 IHAARM CCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000000958052 568646012 /nfs/dbraw/zinc/64/60/12/568646012.db2.gz VGOPWUYHCYHGPN-UHFFFAOYSA-N -1 0 425.510 3.852 50 0 IHAARM O=C([N-]S(=O)(=O)NCc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1 ZINC000261495005 568735073 /nfs/dbraw/zinc/73/50/73/568735073.db2.gz FGZAVAVLTNFGCW-UHFFFAOYSA-N -1 0 443.234 3.563 50 0 IHAARM CC(NCc1ccccc1Br)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000001407450 568787351 /nfs/dbraw/zinc/78/73/51/568787351.db2.gz SBNJUILDARDAIS-NBVRZTHBSA-N -1 0 442.313 3.713 50 0 IHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000015730812 568814175 /nfs/dbraw/zinc/81/41/75/568814175.db2.gz GYEGETPTXINWNU-ZDUSSCGKSA-N -1 0 436.555 3.965 50 0 IHAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)c1 ZINC000064565349 568932340 /nfs/dbraw/zinc/93/23/40/568932340.db2.gz JOXPZOPYVDLRMZ-QZTJIDSGSA-N -1 0 436.859 3.500 50 0 IHAARM COc1cccc(N2CCN(c3ccc(NC(=O)c4ccccc4)c(C(=O)[O-])c3)CC2)c1 ZINC000064590049 568935239 /nfs/dbraw/zinc/93/52/39/568935239.db2.gz RBUCCWXZCYCSME-UHFFFAOYSA-N -1 0 431.492 3.972 50 0 biogenic IHAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(OCC(N)=O)cc2)CC(=O)N3)cc1 ZINC000064796133 568960094 /nfs/dbraw/zinc/96/00/94/568960094.db2.gz VOXFGPHQZAPMAA-MRXNPFEDSA-N -1 0 436.489 3.760 50 0 IHAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)c(C)c1 ZINC000065098953 569104947 /nfs/dbraw/zinc/10/49/47/569104947.db2.gz GCKRWKGBYOGNDP-UHFFFAOYSA-N -1 0 446.554 3.842 50 0 IHAARM CCOC(=O)c1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@@H](C)C4)cc1 ZINC000065150413 569111042 /nfs/dbraw/zinc/11/10/42/569111042.db2.gz YGWMWBDBFWHJOP-LLVKDONJSA-N -1 0 426.494 3.849 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196235 569115725 /nfs/dbraw/zinc/11/57/25/569115725.db2.gz YKAQOZINMKSOAV-UHFFFAOYSA-N -1 0 426.947 3.506 50 0 IHAARM CCOc1ccccc1NC(=O)CCc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000016848389 569164254 /nfs/dbraw/zinc/16/42/54/569164254.db2.gz AQMLZFNDIISJEJ-UHFFFAOYSA-N -1 0 431.539 3.914 50 0 IHAARM CCC[C@@H](NC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)C(=O)[O-] ZINC000002113863 569182214 /nfs/dbraw/zinc/18/22/14/569182214.db2.gz AZBXUQJVCALLEO-LJQANCHMSA-N -1 0 439.464 3.525 50 0 biogenic IHAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002125938 569184044 /nfs/dbraw/zinc/18/40/44/569184044.db2.gz CYSXQTKDKGUAOR-INIZCTEOSA-N -1 0 431.510 3.620 50 0 biogenic IHAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)/C=C/C(=O)[O-] ZINC000008861899 569291591 /nfs/dbraw/zinc/29/15/91/569291591.db2.gz BNVANBCBMOUOQJ-VAWYXSNFSA-N -1 0 440.297 3.901 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000020330321 569360717 /nfs/dbraw/zinc/36/07/17/569360717.db2.gz WPLKWEGFISRFJR-UHFFFAOYSA-N -1 0 442.928 3.909 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N4CCc5ccccc5C4)c3=O)c2c1 ZINC000020330382 569360822 /nfs/dbraw/zinc/36/08/22/569360822.db2.gz QTJRPVLVAWWYSI-UHFFFAOYSA-N -1 0 434.521 3.524 50 0 IHAARM COc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cc1Br ZINC000095442906 569366818 /nfs/dbraw/zinc/36/68/18/569366818.db2.gz BXDLBGIIUJMGRC-UHFFFAOYSA-N -1 0 428.304 3.666 50 0 IHAARM C[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1)n1cccn1 ZINC000095468046 569371217 /nfs/dbraw/zinc/37/12/17/569371217.db2.gz HZWNGSYWFMPWJR-HNNXBMFYSA-N -1 0 437.481 3.539 50 0 IHAARM O=S(=O)([N-]c1ccccc1Cc1nc(-c2cccnc2)no1)c1c(F)cccc1F ZINC000096119626 569384670 /nfs/dbraw/zinc/38/46/70/569384670.db2.gz RTUSUHPOTITBAW-UHFFFAOYSA-N -1 0 428.420 3.801 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000002484068 569405079 /nfs/dbraw/zinc/40/50/79/569405079.db2.gz SWJSXQSNXPOVHH-HRZAVBMWSA-N -1 0 429.859 3.975 50 0 IHAARM CCOC(=O)c1csc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000002699335 569417319 /nfs/dbraw/zinc/41/73/19/569417319.db2.gz JYBVTOVDXBTSNF-UHFFFAOYSA-N -1 0 445.522 3.681 50 0 IHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c2cc1OCC ZINC000003010333 569435310 /nfs/dbraw/zinc/43/53/10/569435310.db2.gz NXMSWCZHSCGWBI-GOEBONIOSA-N -1 0 433.574 3.941 50 0 IHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N[C@H]3CCCC[C@@H]3C)c(=O)c2cc1OCC ZINC000003010331 569435336 /nfs/dbraw/zinc/43/53/36/569435336.db2.gz NXMSWCZHSCGWBI-HOCLYGCPSA-N -1 0 433.574 3.941 50 0 IHAARM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Sc1nnc(C)c(=O)[n-]1 ZINC000003323590 569446065 /nfs/dbraw/zinc/44/60/65/569446065.db2.gz NOMJJDWTMKAPFS-LBPRGKRZSA-N -1 0 444.538 3.910 50 0 IHAARM CC[C@H](c1nnc(SCc2nc(=O)c3sccc3[n-]2)n1Cc1ccccc1)N(C)C ZINC000008768887 569475010 /nfs/dbraw/zinc/47/50/10/569475010.db2.gz XJPXMEUKIBEOPI-MRXNPFEDSA-N -1 0 440.598 3.929 50 0 IHAARM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC(F)F ZINC000040115194 569489153 /nfs/dbraw/zinc/48/91/53/569489153.db2.gz ZOUQBKVIHICGRA-UHFFFAOYSA-N -1 0 427.425 3.674 50 0 IHAARM COc1ccc(-c2nc(CC(=O)NCC3(CC(=O)[O-])CCCCC3)cs2)cc1OC ZINC000040288152 569498416 /nfs/dbraw/zinc/49/84/16/569498416.db2.gz GYRXJBNJZUFOEM-UHFFFAOYSA-N -1 0 432.542 3.911 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc1 ZINC000040450574 569506351 /nfs/dbraw/zinc/50/63/51/569506351.db2.gz SBGWOOGBDVRRAZ-LLVKDONJSA-N -1 0 439.331 3.556 50 0 IHAARM Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)oc2c1 ZINC000009184853 569510016 /nfs/dbraw/zinc/51/00/16/569510016.db2.gz JUTPJHNJFDKRMZ-UHFFFAOYSA-N -1 0 441.490 3.611 50 0 IHAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2ON1c1ccccc1 ZINC000009232400 569513814 /nfs/dbraw/zinc/51/38/14/569513814.db2.gz QWLMNNQHHRXDKQ-NJDAHSKKSA-N -1 0 432.407 3.575 50 0 IHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000009349082 569524596 /nfs/dbraw/zinc/52/45/96/569524596.db2.gz URMCCZNTALRXHA-QGZVFWFLSA-N -1 0 441.285 3.868 50 0 IHAARM COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000009414842 569532070 /nfs/dbraw/zinc/53/20/70/569532070.db2.gz FYNLFFRRHSCAMA-UHFFFAOYSA-N -1 0 427.486 3.547 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3F)cc2)n1 ZINC000009672339 569558782 /nfs/dbraw/zinc/55/87/82/569558782.db2.gz FARWLDDGXMLMQL-UHFFFAOYSA-N -1 0 428.489 3.605 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1C ZINC000009698219 569561196 /nfs/dbraw/zinc/56/11/96/569561196.db2.gz OFIVKQRZCZFVBG-UHFFFAOYSA-N -1 0 442.512 3.916 50 0 IHAARM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009714856 569562980 /nfs/dbraw/zinc/56/29/80/569562980.db2.gz RSADWJPXHRRWHX-UHFFFAOYSA-N -1 0 434.992 3.685 50 0 IHAARM [O-]c1c([C@H](c2cccs2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 ZINC000009808575 569569003 /nfs/dbraw/zinc/56/90/03/569569003.db2.gz KBUYRJOQSMAVKU-HNNXBMFYSA-N -1 0 444.538 3.746 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)N1CCc2ccccc2C1 ZINC000009828497 569569747 /nfs/dbraw/zinc/56/97/47/569569747.db2.gz NHBFGRDAMGJRBC-UHFFFAOYSA-N -1 0 447.969 3.725 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCc1cccs1 ZINC000009828514 569569756 /nfs/dbraw/zinc/56/97/56/569569756.db2.gz CQVPFTJLCFFOGW-UHFFFAOYSA-N -1 0 427.960 3.518 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000009828648 569569826 /nfs/dbraw/zinc/56/98/26/569569826.db2.gz WQCOLFDABCZRSE-UHFFFAOYSA-N -1 0 437.930 3.787 50 0 IHAARM Cc1cc2oc(=O)cc(COC(=O)c3ccccc3[N-]S(C)(=O)=O)c2cc1C(C)C ZINC000010265614 569580025 /nfs/dbraw/zinc/58/00/25/569580025.db2.gz IUZYWTGWQAUYCH-UHFFFAOYSA-N -1 0 429.494 3.953 50 0 IHAARM CCOc1ccc(Oc2ccc(NC(=O)Cc3csc([N-]S(C)(=O)=O)n3)cc2)cc1 ZINC000029974474 569584537 /nfs/dbraw/zinc/58/45/37/569584537.db2.gz ILDRCYWNBNAAKV-UHFFFAOYSA-N -1 0 447.538 3.887 50 0 IHAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000000627353 193861487 /nfs/dbraw/zinc/86/14/87/193861487.db2.gz KYFPEIQDXBUNJO-SFTDATJTSA-N -1 0 449.551 3.787 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000006142851 193882391 /nfs/dbraw/zinc/88/23/91/193882391.db2.gz TUWUMSLUXOQVTJ-UHFFFAOYSA-N -1 0 434.477 3.771 50 0 IHAARM CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012411274 520427385 /nfs/dbraw/zinc/42/73/85/520427385.db2.gz WIPYLOAVCGRUGD-KRWDZBQOSA-N -1 0 442.331 3.732 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000012552603 520866073 /nfs/dbraw/zinc/86/60/73/520866073.db2.gz SXHLQOZNJANYHF-UHFFFAOYSA-N -1 0 439.331 3.775 50 0 IHAARM CN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022795474 523918787 /nfs/dbraw/zinc/91/87/87/523918787.db2.gz QOQJWBKETRHUSO-MRXNPFEDSA-N -1 0 429.933 3.747 50 0 IHAARM CN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022798433 523922068 /nfs/dbraw/zinc/92/20/68/523922068.db2.gz LIPMSUGRAFRPRI-INIZCTEOSA-N -1 0 429.933 3.747 50 0 IHAARM CN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022795468 523922677 /nfs/dbraw/zinc/92/26/77/523922677.db2.gz QOQJWBKETRHUSO-INIZCTEOSA-N -1 0 429.933 3.747 50 0 IHAARM CC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112467 523976123 /nfs/dbraw/zinc/97/61/23/523976123.db2.gz XXWAEBRNCLDWHG-HNNXBMFYSA-N -1 0 429.567 3.916 50 0 IHAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3)CC2)cc1 ZINC000023157302 525214724 /nfs/dbraw/zinc/21/47/24/525214724.db2.gz HSKWYULIMUXNMR-FQEVSTJZSA-N -1 0 435.553 3.725 50 0 IHAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000012583697 525608922 /nfs/dbraw/zinc/60/89/22/525608922.db2.gz CRHGQFGCLJOOKC-UHFFFAOYSA-N -1 0 442.415 3.861 50 0 IHAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)NC1CCCCC1 ZINC000022467206 525890412 /nfs/dbraw/zinc/89/04/12/525890412.db2.gz IHHJJDBGOFJDKF-AWEZNQCLSA-N -1 0 436.555 3.543 50 0 IHAARM COc1cccc(COc2ccc(-c3nnc(CCC(=O)NCC(C)C)c(=O)[n-]3)cc2)c1 ZINC000034763176 526061944 /nfs/dbraw/zinc/06/19/44/526061944.db2.gz YGKJJKWKBAQGSH-UHFFFAOYSA-N -1 0 436.512 3.537 50 0 IHAARM [O-]c1c([C@@H](c2ccccc2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 ZINC000022851780 526331513 /nfs/dbraw/zinc/33/15/13/526331513.db2.gz CODXVIRYHPPVKH-QGZVFWFLSA-N -1 0 438.509 3.685 50 0 IHAARM Cc1sc2nc(C)c(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c(=O)n2c1C ZINC000020921706 526889200 /nfs/dbraw/zinc/88/92/00/526889200.db2.gz NHXAGUDERJLMJU-UHFFFAOYSA-N -1 0 442.360 3.553 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012585074 527260092 /nfs/dbraw/zinc/26/00/92/527260092.db2.gz UVXNTBBMQIWJIL-UHFFFAOYSA-N -1 0 448.504 3.814 50 0 IHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012926803 527658048 /nfs/dbraw/zinc/65/80/48/527658048.db2.gz SDWGBSQMFXTECB-QZTJIDSGSA-N -1 0 434.901 3.746 50 0 IHAARM CCCc1nc(C(C)(C)O)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000000538621 555510418 /nfs/dbraw/zinc/51/04/18/555510418.db2.gz VTRAEEWXHOVJFV-UHFFFAOYSA-N -1 0 446.511 3.657 50 0 fda IHAARM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 ZINC000000878795 555576797 /nfs/dbraw/zinc/57/67/97/555576797.db2.gz ATHAAXZQYPHNNL-AWNIVKPZSA-N -1 0 438.509 3.555 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cccc(Br)c1 ZINC000000958043 555590664 /nfs/dbraw/zinc/59/06/64/555590664.db2.gz ADYNFHYJFJTTRJ-UHFFFAOYSA-N -1 0 432.299 3.897 50 0 IHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000001145221 555653048 /nfs/dbraw/zinc/65/30/48/555653048.db2.gz KTUBFDMGIWUIEX-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)ncn1 ZINC000001160460 555661394 /nfs/dbraw/zinc/66/13/94/555661394.db2.gz MMNUNQOUAQHASK-UHFFFAOYSA-N -1 0 434.477 3.692 50 0 IHAARM CC(C)(C)OC(=O)N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560680 555787640 /nfs/dbraw/zinc/78/76/40/555787640.db2.gz MVWPBNQGEGBGRF-LJQANCHMSA-N -1 0 426.469 3.503 50 0 IHAARM CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002832847 555831993 /nfs/dbraw/zinc/83/19/93/555831993.db2.gz NVZFEQORGMNQOD-UHFFFAOYSA-N -1 0 437.370 3.873 50 0 IHAARM CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O ZINC000002989427 555874955 /nfs/dbraw/zinc/87/49/55/555874955.db2.gz RSPBRIIROQLIDH-WQRHYEAKSA-N -1 0 441.461 3.563 50 0 IHAARM CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003103374 555886949 /nfs/dbraw/zinc/88/69/49/555886949.db2.gz RGTJMRHNGKZOLR-LJQANCHMSA-N -1 0 437.443 3.889 50 0 IHAARM Cc1cccc(CNC(=O)CCc2nnc(-c3ccc(OCC4CCC4)cc3)[n-]c2=O)c1 ZINC000034764159 555906106 /nfs/dbraw/zinc/90/61/06/555906106.db2.gz MSUVDSOLHIKSBD-UHFFFAOYSA-N -1 0 432.524 3.981 50 0 IHAARM O=C(CCc1nnc(-c2cccc(OCC3CC3)c2)[n-]c1=O)N1CCc2ccccc2C1 ZINC000034765478 555906313 /nfs/dbraw/zinc/90/63/13/555906313.db2.gz MWNQDUKZTTWBRR-UHFFFAOYSA-N -1 0 430.508 3.551 50 0 IHAARM CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000003635185 555942436 /nfs/dbraw/zinc/94/24/36/555942436.db2.gz PWJQFTBYRJJKDM-XDJZYPBNSA-N -1 0 439.467 3.721 50 0 IHAARM O=C1N[C@H](c2cccc(Br)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000004018790 555953177 /nfs/dbraw/zinc/95/31/77/555953177.db2.gz FXQFDOMPUROYRM-ZOWXZIJZSA-N -1 0 449.248 3.615 50 0 IHAARM CCCCOC(=O)c1cc(I)c([O-])c(I)c1 ZINC000004742719 556009128 /nfs/dbraw/zinc/00/91/28/556009128.db2.gz AKPGOBAFPMFHET-UHFFFAOYSA-N -1 0 446.022 3.558 50 0 IHAARM O=S(=O)([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(Br)s1 ZINC000002775001 556140506 /nfs/dbraw/zinc/14/05/06/556140506.db2.gz PACXMNPYUZCPPT-UHFFFAOYSA-N -1 0 433.740 3.605 50 0 IHAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3cccc(Br)c3)cc2s1 ZINC000013693119 556282604 /nfs/dbraw/zinc/28/26/04/556282604.db2.gz QAPLVPVEOFNBFL-UHFFFAOYSA-N -1 0 426.317 3.683 50 0 IHAARM CCCCCCSc1nc([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1CC ZINC000013142136 556487261 /nfs/dbraw/zinc/48/72/61/556487261.db2.gz QEJXBEVZSVGWDV-QGZVFWFLSA-N -1 0 448.541 3.918 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013542524 556513874 /nfs/dbraw/zinc/51/38/74/556513874.db2.gz GHCZAUBVMUEKKP-XROMFQGDSA-N -1 0 449.632 3.594 50 0 endogenous,in-man IHAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1OC ZINC000032962175 556580289 /nfs/dbraw/zinc/58/02/89/556580289.db2.gz YLQVAGDNADQGKG-UHFFFAOYSA-N -1 0 448.541 3.973 50 0 IHAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 ZINC000017095463 556659126 /nfs/dbraw/zinc/65/91/26/556659126.db2.gz DFRQAJMUXISSOO-IRXDYDNUSA-N -1 0 427.526 3.549 50 0 IHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 ZINC000017095464 556659131 /nfs/dbraw/zinc/65/91/31/556659131.db2.gz DFRQAJMUXISSOO-IAGOWNOFSA-N -1 0 427.526 3.549 50 0 IHAARM CCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238881526 556681983 /nfs/dbraw/zinc/68/19/83/556681983.db2.gz ANRNHWFSFUVGGK-HDJSIYSDSA-N -1 0 435.904 3.785 50 0 biogenic IHAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238901127 556681996 /nfs/dbraw/zinc/68/19/96/556681996.db2.gz LCYUXNWXIFFGKV-BRWVUGGUSA-N -1 0 429.513 3.828 50 0 IHAARM CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238924119 556682234 /nfs/dbraw/zinc/68/22/34/556682234.db2.gz RCJINVKJESWGOW-QAQDUYKDSA-N -1 0 429.513 3.830 50 0 biogenic IHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCCC3)o2)c1C ZINC000097940819 556811209 /nfs/dbraw/zinc/81/12/09/556811209.db2.gz YPKWNDKRLFHCSF-UHFFFAOYSA-N -1 0 428.514 3.713 50 0 IHAARM COc1ccc(Cl)cc1C(=O)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097942083 556812797 /nfs/dbraw/zinc/81/27/97/556812797.db2.gz DQNIQFGXNZBBTF-UHFFFAOYSA-N -1 0 434.883 3.550 50 0 IHAARM CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020290724 557005667 /nfs/dbraw/zinc/00/56/67/557005667.db2.gz NWFINYPYCGAOEM-CZIZESTLSA-N -1 0 436.899 3.901 50 0 IHAARM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)ccc2OC)n1 ZINC000046020213 557021072 /nfs/dbraw/zinc/02/10/72/557021072.db2.gz YGKRTXQBUXSNKE-UHFFFAOYSA-N -1 0 433.486 3.516 50 0 IHAARM Cc1ccc(-n2c3nc(SCC(=O)NCc4ccco4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948590 557056715 /nfs/dbraw/zinc/05/67/15/557056715.db2.gz DEXIUUYXESJYPE-UHFFFAOYSA-N -1 0 444.563 3.815 50 0 IHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)c1 ZINC000033307996 557087247 /nfs/dbraw/zinc/08/72/47/557087247.db2.gz VEKNFSHNRYPPAQ-UHFFFAOYSA-N -1 0 447.520 3.950 50 0 IHAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)cn2CC(=O)N2CCCC2)n1 ZINC000033307599 557087591 /nfs/dbraw/zinc/08/75/91/557087591.db2.gz HMEHHSDTMRFWNV-UHFFFAOYSA-N -1 0 444.582 3.652 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cccc(SC)c2)cc1 ZINC000049003395 557091144 /nfs/dbraw/zinc/09/11/44/557091144.db2.gz WCWFOTFZRBPGQP-UHFFFAOYSA-N -1 0 446.554 3.892 50 0 IHAARM CN(C)C(=O)[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000017480919 557094502 /nfs/dbraw/zinc/09/45/02/557094502.db2.gz CROLHEFJHSDTOR-LJQANCHMSA-N -1 0 444.534 3.535 50 0 IHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000024755757 557163293 /nfs/dbraw/zinc/16/32/93/557163293.db2.gz WAPAQGJQEMGDNI-UHFFFAOYSA-N -1 0 441.578 3.507 50 0 IHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000024903753 557178085 /nfs/dbraw/zinc/17/80/85/557178085.db2.gz UAGYFZFKAFEKTE-UHFFFAOYSA-N -1 0 427.489 3.867 50 0 IHAARM CCCc1nnc(SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)n1CC(=O)[O-] ZINC000025067068 557194271 /nfs/dbraw/zinc/19/42/71/557194271.db2.gz QGZRIGIUWIGMPC-SFHVURJKSA-N -1 0 427.526 3.514 50 0 IHAARM COc1ccc2nc(-c3ccc(OC)c([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)cn2n1 ZINC000011693559 557232610 /nfs/dbraw/zinc/23/26/10/557232610.db2.gz IWNRZEOBTCCNJG-UHFFFAOYSA-N -1 0 444.900 3.868 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)[nH]n2)cc1 ZINC000032950948 557238427 /nfs/dbraw/zinc/23/84/27/557238427.db2.gz HBEUSANPKATLRX-UHFFFAOYSA-N -1 0 428.514 3.985 50 0 IHAARM Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000018132430 557242607 /nfs/dbraw/zinc/24/26/07/557242607.db2.gz BECBGFDBLFNWCM-UHFFFAOYSA-N -1 0 447.564 3.910 50 0 IHAARM Cc1ccc(-n2c(=O)c(Cc3ccccc3)c([O-])nc2SCC(=O)N2CCCCC2)cc1 ZINC000101794068 557298273 /nfs/dbraw/zinc/29/82/73/557298273.db2.gz LTWRUNBQOFGYPI-UHFFFAOYSA-N -1 0 449.576 3.942 50 0 IHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4ccc(Br)cc4)nn3c2=O)cc1 ZINC000101802974 557299197 /nfs/dbraw/zinc/29/91/97/557299197.db2.gz ABXZKLKYXZTHGA-UHFFFAOYSA-N -1 0 438.329 4.000 50 0 IHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3OC)cnn21 ZINC000101836462 557302988 /nfs/dbraw/zinc/30/29/88/557302988.db2.gz ITTLXXKCPMEYKZ-GOSISDBHSA-N -1 0 434.452 3.526 50 0 IHAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102734080 557372089 /nfs/dbraw/zinc/37/20/89/557372089.db2.gz VARQVJBNNLKMKN-DNVJHFABSA-N -1 0 448.450 3.894 50 0 IHAARM CCN(C(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccc(F)c(F)c1)c1ccccc1 ZINC000051316763 557465503 /nfs/dbraw/zinc/46/55/03/557465503.db2.gz UBIUDFJKQLZIJF-UHFFFAOYSA-N -1 0 441.463 3.532 50 0 IHAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)N2CCCCC2)cc1 ZINC000024982713 557828569 /nfs/dbraw/zinc/82/85/69/557828569.db2.gz HUVJDNIVFYBTGL-UHFFFAOYSA-N -1 0 448.541 3.529 50 0 IHAARM CCOc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C(=O)[O-])c3ccccc3C2c2ccccc21 ZINC000000849897 557829467 /nfs/dbraw/zinc/82/94/67/557829467.db2.gz ANZGRBZHUYMSGD-XDJZYPBNSA-N -1 0 439.467 3.721 50 0 IHAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12 ZINC000002125285 562925929 /nfs/dbraw/zinc/92/59/29/562925929.db2.gz YYXQOCDJYCJZFJ-IBGZPJMESA-N -1 0 443.883 3.590 50 0 biogenic IHAARM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000003395121 562935224 /nfs/dbraw/zinc/93/52/24/562935224.db2.gz VMUIKNLWBOGEQP-UHFFFAOYSA-N -1 0 435.509 3.720 50 0 IHAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@@H](C)S4)sc2c1 ZINC000015730296 568813905 /nfs/dbraw/zinc/81/39/05/568813905.db2.gz PTEDQNNAOURGSK-SNVBAGLBSA-N -1 0 435.552 3.929 50 0 IHAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000015731489 568814716 /nfs/dbraw/zinc/81/47/16/568814716.db2.gz MXCWWWWWJPOMSW-UHFFFAOYSA-N -1 0 432.885 3.708 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000064774865 568954216 /nfs/dbraw/zinc/95/42/16/568954216.db2.gz NDXZBXYAOKNIJH-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM Cc1ccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1C ZINC000064843285 568971035 /nfs/dbraw/zinc/97/10/35/568971035.db2.gz XYPVYGFGZCTNDV-UHFFFAOYSA-N -1 0 425.510 3.834 50 0 IHAARM Cc1cc(C)cc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000064843299 568971230 /nfs/dbraw/zinc/97/12/30/568971230.db2.gz OOVIAJQKYSVHEP-UHFFFAOYSA-N -1 0 425.510 3.834 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCc2cc(=O)n3ccsc3n2)cc1 ZINC000064976780 569077227 /nfs/dbraw/zinc/07/72/27/569077227.db2.gz KDJULGJNRYMJKY-UHFFFAOYSA-N -1 0 441.534 3.753 50 0 IHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1 ZINC000065021260 569088786 /nfs/dbraw/zinc/08/87/86/569088786.db2.gz LHDYMYYFKQSRDQ-UHFFFAOYSA-N -1 0 430.526 3.539 50 0 IHAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1 ZINC000065099010 569105033 /nfs/dbraw/zinc/10/50/33/569105033.db2.gz JMIHNTRRQFBRGK-UHFFFAOYSA-N -1 0 432.527 3.533 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115330 569106681 /nfs/dbraw/zinc/10/66/81/569106681.db2.gz JOVJDGQHAKMCJK-UHFFFAOYSA-N -1 0 449.916 3.917 50 0 IHAARM C[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)[C@H]1COc2ccccc21 ZINC000170592181 569141173 /nfs/dbraw/zinc/14/11/73/569141173.db2.gz CBNYNRIXQWEHPA-SJKOYZFVSA-N -1 0 445.397 3.884 50 0 IHAARM Cc1ccc(C(=O)c2c([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)nc3n2CCC3)cc1 ZINC000170595634 569141723 /nfs/dbraw/zinc/14/17/23/569141723.db2.gz HVHMRZRJDWQHHL-UHFFFAOYSA-N -1 0 430.917 3.526 50 0 IHAARM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(-n4cc(C)cn4)c(F)c3)sc2c1 ZINC000170609203 569144594 /nfs/dbraw/zinc/14/45/94/569144594.db2.gz HTYQOEOFAYDCTD-UHFFFAOYSA-N -1 0 430.486 3.933 50 0 IHAARM O=S(=O)([N-]c1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(OC2CCCC2)cc1 ZINC000170609129 569144603 /nfs/dbraw/zinc/14/46/03/569144603.db2.gz YTXJIHUUAAYBFV-UHFFFAOYSA-N -1 0 429.454 3.588 50 0 IHAARM COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)CCCC(=O)[O-])c(OC)c1 ZINC000170614111 569146262 /nfs/dbraw/zinc/14/62/62/569146262.db2.gz REXRGQQXAZHGPM-LJQANCHMSA-N -1 0 426.469 3.645 50 0 IHAARM COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1 ZINC000013576023 569155875 /nfs/dbraw/zinc/15/58/75/569155875.db2.gz WFSTWIMVDCSIRC-STZFKDTASA-N -1 0 446.459 3.812 50 0 IHAARM O=C([O-])C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000013579071 569156007 /nfs/dbraw/zinc/15/60/07/569156007.db2.gz ZLZKXIRLODHGMS-VAWYXSNFSA-N -1 0 441.439 3.877 50 0 IHAARM CCOCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000002973410 569213037 /nfs/dbraw/zinc/21/30/37/569213037.db2.gz SRSRYAQMIKVTPJ-UHFFFAOYSA-N -1 0 431.945 3.917 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000037245810 569257773 /nfs/dbraw/zinc/25/77/73/569257773.db2.gz WVULKSPCQVQLCU-IXMPEZJOSA-N -1 0 449.632 3.594 50 0 IHAARM O=C(Nc1ccc(-c2ncon2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000253406371 569265357 /nfs/dbraw/zinc/26/53/57/569265357.db2.gz YYVIMEGUIJTERB-UHFFFAOYSA-N -1 0 426.479 3.851 50 0 IHAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(F)cc2Cl)nc1C(F)(F)F ZINC000253427813 569267483 /nfs/dbraw/zinc/26/74/83/569267483.db2.gz DLVFQEALLYPAJV-UHFFFAOYSA-N -1 0 432.804 3.932 50 0 IHAARM COc1ccc([C@@H](CC(=O)NCCc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470801 569282474 /nfs/dbraw/zinc/28/24/74/569282474.db2.gz FFZVLKHBNLCLGY-HXUWFJFHSA-N -1 0 425.456 3.682 50 0 IHAARM O=C(NCc1nc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2)no1)c1ccccc1 ZINC000013346530 569312905 /nfs/dbraw/zinc/31/29/05/569312905.db2.gz HJRFLFGYNGCGDA-UHFFFAOYSA-N -1 0 440.506 3.529 50 0 IHAARM COc1ccc([C@H](NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])c2nccn2C)cc1 ZINC000078875676 569319701 /nfs/dbraw/zinc/31/97/01/569319701.db2.gz XLRCYKQZVPDJDC-QFIPXVFZSA-N -1 0 445.523 3.963 50 0 IHAARM CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000078992473 569321639 /nfs/dbraw/zinc/32/16/39/569321639.db2.gz WNHBHKIOMTUULT-UHFFFAOYSA-N -1 0 428.514 3.526 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCc4ccc(F)cc4)c3=O)c2c1 ZINC000020330491 569360706 /nfs/dbraw/zinc/36/07/06/569360706.db2.gz VDDBUAXIONIJHY-UHFFFAOYSA-N -1 0 440.500 3.785 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCc4ccco4)c3=O)c2c1 ZINC000020331263 569361006 /nfs/dbraw/zinc/36/10/06/569361006.db2.gz DCVSMRJZEDALNE-UHFFFAOYSA-N -1 0 426.498 3.629 50 0 IHAARM Cc1cc(Cl)c(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1OCC(=O)[O-] ZINC000095989673 569378187 /nfs/dbraw/zinc/37/81/87/569378187.db2.gz QZJWFLYDMAYMLH-SFHVURJKSA-N -1 0 430.888 3.745 50 0 IHAARM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)cc2C1 ZINC000096103637 569382052 /nfs/dbraw/zinc/38/20/52/569382052.db2.gz MALXCAGVHMHZRQ-UHFFFAOYSA-N -1 0 440.443 3.681 50 0 IHAARM CCc1ccc(CNC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000096326955 569396311 /nfs/dbraw/zinc/39/63/11/569396311.db2.gz YJZGJMRLDTTXEO-UHFFFAOYSA-N -1 0 432.933 3.665 50 0 IHAARM Cc1ccc(N(CC(=O)Nc2cccc(C(=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C ZINC000096564814 569401328 /nfs/dbraw/zinc/40/13/28/569401328.db2.gz ISAIQOAMLHNKLC-UHFFFAOYSA-N -1 0 438.505 3.836 50 0 IHAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000002965572 569433005 /nfs/dbraw/zinc/43/30/05/569433005.db2.gz BXJOEYHUCFSBKF-NRFANRHFSA-N -1 0 446.576 3.616 50 0 IHAARM CCOc1ccc2nc(SCC(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])sc2c1 ZINC000003298218 569444844 /nfs/dbraw/zinc/44/48/44/569444844.db2.gz XQHMLPFTPHUSLM-KRWDZBQOSA-N -1 0 428.535 3.825 50 0 IHAARM COc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)cc1 ZINC000003630447 569455296 /nfs/dbraw/zinc/45/52/96/569455296.db2.gz DSGYQOHYUIJVRZ-UHFFFAOYSA-N -1 0 431.517 3.672 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000059368798 569461044 /nfs/dbraw/zinc/46/10/44/569461044.db2.gz KMUDBRMWZRKQHN-UHFFFAOYSA-N -1 0 438.343 3.775 50 0 IHAARM O=c1nc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)[n-]c2ccsc21 ZINC000008941996 569488601 /nfs/dbraw/zinc/48/86/01/569488601.db2.gz AECHMIOWHQYQPQ-UHFFFAOYSA-N -1 0 438.582 3.513 50 0 IHAARM COC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1ccccc1Br ZINC000040152349 569493450 /nfs/dbraw/zinc/49/34/50/569493450.db2.gz SYNLHXODNDFJEP-QGZVFWFLSA-N -1 0 439.306 3.607 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(-c2ccc(C)cc2C)c1=O ZINC000009046251 569498244 /nfs/dbraw/zinc/49/82/44/569498244.db2.gz PPRKKUAVUTWWDK-JOCHJYFZSA-N -1 0 430.508 3.709 50 0 biogenic IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=S)NC)cc1 ZINC000009125154 569504601 /nfs/dbraw/zinc/50/46/01/569504601.db2.gz RHNOHMNNKIXAAQ-UHFFFAOYSA-N -1 0 444.376 3.565 50 0 IHAARM COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000009220139 569512542 /nfs/dbraw/zinc/51/25/42/569512542.db2.gz KGNTXERSVVDUDB-UHFFFAOYSA-N -1 0 426.494 3.686 50 0 IHAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000009300321 569520627 /nfs/dbraw/zinc/52/06/27/569520627.db2.gz WTVGVJGZQGFFRM-UHFFFAOYSA-N -1 0 444.896 3.902 50 0 IHAARM COc1cc2[nH]c(=O)c(C(=O)Nc3ccc(C)cc3Br)c([O-])c2cc1OC ZINC000009348456 569524527 /nfs/dbraw/zinc/52/45/27/569524527.db2.gz KKNFPYSKYDZUSD-UHFFFAOYSA-N -1 0 433.258 3.574 50 0 IHAARM O=C([O-])c1cc(NC(=O)CCN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)ccc1O ZINC000009429152 569533657 /nfs/dbraw/zinc/53/36/57/569533657.db2.gz XQGBHWDWVJQTFZ-FLGOTCTISA-N -1 0 438.461 3.712 50 0 IHAARM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009507061 569541907 /nfs/dbraw/zinc/54/19/07/569541907.db2.gz JPSCRMOCQNDAMZ-UHFFFAOYSA-N -1 0 442.562 3.939 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccccc3OCC)c2)on1 ZINC000009637834 569554852 /nfs/dbraw/zinc/55/48/52/569554852.db2.gz SSUKOMLRLXUYAJ-UHFFFAOYSA-N -1 0 446.481 3.726 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1Cl ZINC000009748481 569565938 /nfs/dbraw/zinc/56/59/38/569565938.db2.gz SRXLHPSHQYARGK-QZTJIDSGSA-N -1 0 446.294 3.542 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)cc1 ZINC000013733776 569584670 /nfs/dbraw/zinc/58/46/70/569584670.db2.gz NITBSHXSLIBEHD-UHFFFAOYSA-N -1 0 442.522 3.615 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1Br ZINC000000640095 193867212 /nfs/dbraw/zinc/86/72/12/193867212.db2.gz GNCVIBLVKOXRPK-UHFFFAOYSA-N -1 0 441.347 3.644 50 0 IHAARM Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000000627446 132227878 /nfs/dbraw/zinc/22/78/78/132227878.db2.gz IOWZLWSWIYORIW-PMACEKPBSA-N -1 0 447.535 3.563 50 0 IHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)c1 ZINC000008601039 132286527 /nfs/dbraw/zinc/28/65/27/132286527.db2.gz IPKYQJXEOQSWSO-UHFFFAOYSA-N -1 0 430.526 3.584 50 0 IHAARM O=C([O-])CN1C(=O)c2ccccc2/C(=C/c2cc3ccccc3nc2N2CCCCC2)C1=O ZINC000014140343 132356388 /nfs/dbraw/zinc/35/63/88/132356388.db2.gz AZDRDMGGXINYOD-QNGOZBTKSA-N -1 0 441.487 3.833 50 0 IHAARM CC(C)(C)C(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012560846 518555897 /nfs/dbraw/zinc/55/58/97/518555897.db2.gz ZAAOCXLSXCKVQY-UHFFFAOYSA-N -1 0 442.459 3.851 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000035377919 519750326 /nfs/dbraw/zinc/75/03/26/519750326.db2.gz FTUVRCRAURVDCY-AWEZNQCLSA-N -1 0 437.525 3.939 50 0 IHAARM CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000012379999 519758849 /nfs/dbraw/zinc/75/88/49/519758849.db2.gz JVFWQSLOLPMVLS-HYARGMPZSA-N -1 0 444.443 3.720 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000012552423 520866178 /nfs/dbraw/zinc/86/61/78/520866178.db2.gz NBRLAJINJJKHDD-UHFFFAOYSA-N -1 0 439.331 3.775 50 0 IHAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000035397221 521375633 /nfs/dbraw/zinc/37/56/33/521375633.db2.gz KBJKUHPQXOBVIF-UHFFFAOYSA-N -1 0 441.509 3.616 50 0 IHAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCC(O)CC3)c([O-])n2n1 ZINC000012341976 522536771 /nfs/dbraw/zinc/53/67/71/522536771.db2.gz IVWNHOCAJKSDJG-HNNXBMFYSA-N -1 0 427.357 3.912 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1C ZINC000015026279 524640279 /nfs/dbraw/zinc/64/02/79/524640279.db2.gz IZLUMBPWXGKEIN-UHFFFAOYSA-N -1 0 426.494 3.666 50 0 IHAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022609476 525382769 /nfs/dbraw/zinc/38/27/69/525382769.db2.gz AZMDVZLRYJLCCF-LJQANCHMSA-N -1 0 439.516 3.556 50 0 IHAARM O=C(COc1ccc(F)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000012525842 526961162 /nfs/dbraw/zinc/96/11/62/526961162.db2.gz OTNBQAHBWJOVLR-UHFFFAOYSA-N -1 0 441.893 3.754 50 0 IHAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000015990057 527056588 /nfs/dbraw/zinc/05/65/88/527056588.db2.gz XZTXMJVEJICLMC-UHFFFAOYSA-N -1 0 429.501 3.921 50 0 IHAARM O=C([O-])C1(Cc2ccc(Br)cc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034936181 527554833 /nfs/dbraw/zinc/55/48/33/527554833.db2.gz OJBQDVJOUAATCM-UHFFFAOYSA-N -1 0 438.343 3.547 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)n1 ZINC000000671142 555531298 /nfs/dbraw/zinc/53/12/98/555531298.db2.gz SMVYDFVQMHCCMF-AWEZNQCLSA-N -1 0 446.916 3.645 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)nc(C)n1 ZINC000000671411 555531369 /nfs/dbraw/zinc/53/13/69/555531369.db2.gz FVEDZYTUNMQQER-LFYBBSHMSA-N -1 0 426.473 3.685 50 0 IHAARM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000001116538 555634692 /nfs/dbraw/zinc/63/46/92/555634692.db2.gz BQOREIXZWMECMZ-AWNIVKPZSA-N -1 0 438.509 3.555 50 0 IHAARM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc(Br)c1O ZINC000001189371 555675584 /nfs/dbraw/zinc/67/55/84/555675584.db2.gz QHVLGRGQRDCCRF-KRWDZBQOSA-N -1 0 447.285 3.535 50 0 IHAARM COc1ccc(/C=C(/NC(=O)c2ccccc2OC)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002115905 555744932 /nfs/dbraw/zinc/74/49/32/555744932.db2.gz ZXAVQMGCJLQBST-RCCKNPSSSA-N -1 0 446.459 3.812 50 0 biogenic IHAARM O=C([O-])C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002530812 555786182 /nfs/dbraw/zinc/78/61/82/555786182.db2.gz DDFWEZMWBJEUAX-ZEQRLZLVSA-N -1 0 431.488 3.972 50 0 IHAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763741 555905544 /nfs/dbraw/zinc/90/55/44/555905544.db2.gz CIDDWTHLSPQOQX-KRWDZBQOSA-N -1 0 436.512 3.549 50 0 IHAARM CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000003635187 555942426 /nfs/dbraw/zinc/94/24/26/555942426.db2.gz PWJQFTBYRJJKDM-KWMZMRFFSA-N -1 0 439.467 3.721 50 0 IHAARM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000006161604 556078836 /nfs/dbraw/zinc/07/88/36/556078836.db2.gz YPXMBMOPSFFQGV-UHFFFAOYSA-N -1 0 436.917 3.711 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)n1 ZINC000002709469 556124778 /nfs/dbraw/zinc/12/47/78/556124778.db2.gz LUABIJMZRZHFKX-UHFFFAOYSA-N -1 0 432.505 3.920 50 0 IHAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000002804677 556143044 /nfs/dbraw/zinc/14/30/44/556143044.db2.gz JCYKZYWUPIECCV-UHFFFAOYSA-N -1 0 449.405 3.959 50 0 IHAARM CC(C)OCCCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973728 556152543 /nfs/dbraw/zinc/15/25/43/556152543.db2.gz ZDJMKBSKKKEARQ-UHFFFAOYSA-N -1 0 442.379 3.533 50 0 IHAARM C[C@H](CCc1ccccc1)NC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974449 556152779 /nfs/dbraw/zinc/15/27/79/556152779.db2.gz NPOYCMXBSRHDQA-OAHLLOKOSA-N -1 0 439.537 3.705 50 0 IHAARM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCC3)O4)cc2oc1=O ZINC000009187827 556250756 /nfs/dbraw/zinc/25/07/56/556250756.db2.gz SIDZPXAKBURMFF-UHFFFAOYSA-N -1 0 436.873 3.627 50 0 IHAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000009203215 556257675 /nfs/dbraw/zinc/25/76/75/556257675.db2.gz GRTJRPBYPZYFSA-UHFFFAOYSA-N -1 0 435.505 3.867 50 0 IHAARM COC(=O)c1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)c(CC(=O)[O-])s2)cc1 ZINC000009207930 556257763 /nfs/dbraw/zinc/25/77/63/556257763.db2.gz ASALMSMDKUEKHU-UHFFFAOYSA-N -1 0 428.466 3.985 50 0 IHAARM CCOC(=O)C=C([O-])c1sc2c(c1N)[C@H](c1cccs1)C(C(=O)OCC)C(C)=N2 ZINC000013739157 556298079 /nfs/dbraw/zinc/29/80/79/556298079.db2.gz QUSPRLJWTFTEIY-OAHLLOKOSA-N -1 0 434.539 3.922 50 0 IHAARM CC[C@H](SC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000010076980 556325104 /nfs/dbraw/zinc/32/51/04/556325104.db2.gz PBWNWVMNPXJGQL-IBGZPJMESA-N -1 0 437.521 3.778 50 0 IHAARM O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000028254994 556446979 /nfs/dbraw/zinc/44/69/79/556446979.db2.gz DDKILIIJTITMDG-UHFFFAOYSA-N -1 0 446.834 3.809 50 0 IHAARM CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000028439157 556455118 /nfs/dbraw/zinc/45/51/18/556455118.db2.gz MJDJHXIPBLMBGH-UHFFFAOYSA-N -1 0 430.507 3.550 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N(C)C)cc2)c1 ZINC000028835806 556462152 /nfs/dbraw/zinc/46/21/52/556462152.db2.gz QEWUBUMWVKCJHI-UHFFFAOYSA-N -1 0 441.509 3.520 50 0 IHAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000030531486 556496965 /nfs/dbraw/zinc/49/69/65/556496965.db2.gz BLYNGSVAIVUJFL-OAHLLOKOSA-N -1 0 430.404 3.504 50 0 IHAARM Cn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013545123 556513944 /nfs/dbraw/zinc/51/39/44/556513944.db2.gz YDTJCGCYUHHFBK-UHFFFAOYSA-N -1 0 428.539 3.678 50 0 IHAARM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C ZINC000013568812 556521274 /nfs/dbraw/zinc/52/12/74/556521274.db2.gz ZSFKTMUONHTGQC-OAHLLOKOSA-N -1 0 431.539 3.967 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007175 556655794 /nfs/dbraw/zinc/65/57/94/556655794.db2.gz KVNLNLRHGDFITE-UHFFFAOYSA-N -1 0 431.514 3.524 50 0 IHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017094974 556658330 /nfs/dbraw/zinc/65/83/30/556658330.db2.gz NJTLEYCNKYVOGX-HOTGVXAUSA-N -1 0 426.538 3.996 50 0 IHAARM O=C([N-]n1c(=O)c2c3c(sc2[nH]c1=S)CCC3)c1ccc(Br)s1 ZINC000017095731 556659269 /nfs/dbraw/zinc/65/92/69/556659269.db2.gz QMXDUTVYKHWXFO-UHFFFAOYSA-N -1 0 428.358 3.817 50 0 IHAARM CCC[C@@H](NC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O)C(=O)[O-] ZINC000011865715 556665522 /nfs/dbraw/zinc/66/55/22/556665522.db2.gz YSDYFTFHJDTAGW-GOSISDBHSA-N -1 0 425.437 3.642 50 0 IHAARM Cc1ccc(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000003282617 556808414 /nfs/dbraw/zinc/80/84/14/556808414.db2.gz IQRVEDDXUYQKLY-UHFFFAOYSA-N -1 0 430.507 3.653 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000097940859 556811471 /nfs/dbraw/zinc/81/14/71/556811471.db2.gz RDDSREMKAJZMRE-UHFFFAOYSA-N -1 0 428.514 3.632 50 0 IHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000019630021 556832115 /nfs/dbraw/zinc/83/21/15/556832115.db2.gz HTBJJTSIHZEUCY-JKSUJKDBSA-N -1 0 439.537 3.557 50 0 IHAARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000019633820 556833821 /nfs/dbraw/zinc/83/38/21/556833821.db2.gz XOGIXLAIGDWITO-CVEARBPZSA-N -1 0 441.505 3.914 50 0 IHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Cl)s1 ZINC000019637554 556836048 /nfs/dbraw/zinc/83/60/48/556836048.db2.gz XYRDHIAGOCRQDD-UHFFFAOYSA-N -1 0 442.971 3.681 50 0 IHAARM Cc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023158269 557032267 /nfs/dbraw/zinc/03/22/67/557032267.db2.gz HPUZVFWPFUXLIM-QGZVFWFLSA-N -1 0 429.546 3.917 50 0 IHAARM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000017287029 557045172 /nfs/dbraw/zinc/04/51/72/557045172.db2.gz WMGCHLJNMFSDOM-UHFFFAOYSA-N -1 0 434.992 3.695 50 0 IHAARM C[C@H]1CCCCN1C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000032948532 557059191 /nfs/dbraw/zinc/05/91/91/557059191.db2.gz XXTBZTMCRSWOSY-LBPRGKRZSA-N -1 0 432.596 3.998 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1 ZINC000025768640 557225088 /nfs/dbraw/zinc/22/50/88/557225088.db2.gz CMTVIAYKUADMER-UHFFFAOYSA-N -1 0 429.523 3.694 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(SC)c3)[nH]n2)cc1 ZINC000032950971 557239028 /nfs/dbraw/zinc/23/90/28/557239028.db2.gz ILUVHKAJHRSLEJ-UHFFFAOYSA-N -1 0 432.527 3.583 50 0 IHAARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=C(NCc1ccc(F)cc1)Nc1ccccc1 ZINC000101382524 557281891 /nfs/dbraw/zinc/28/18/91/557281891.db2.gz FHFOSQMIQJLUEF-MRCUWXFGSA-N -1 0 448.429 3.661 50 0 IHAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCc3ccccc3)Nc3ccccc3)C2=O)cc1 ZINC000101382586 557281907 /nfs/dbraw/zinc/28/19/07/557281907.db2.gz FXHUBXMQBYPJFC-DQRAZIAOSA-N -1 0 426.476 3.691 50 0 IHAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)cc3)C2)c([O-])[nH]c1=S ZINC000101495328 557289037 /nfs/dbraw/zinc/28/90/37/557289037.db2.gz HTEZNDSZROYNPI-MRXNPFEDSA-N -1 0 430.530 3.508 50 0 IHAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)cc3)C2)c([O-])[nH]c1=S ZINC000101495326 557289256 /nfs/dbraw/zinc/28/92/56/557289256.db2.gz HTEZNDSZROYNPI-INIZCTEOSA-N -1 0 430.530 3.508 50 0 IHAARM COc1cccc(-n2c(=O)c(C(=O)NCc3cccc(Cl)c3)c([O-])c3cccnc32)c1 ZINC000101722484 557294738 /nfs/dbraw/zinc/29/47/38/557294738.db2.gz YBXUGJKKOZKCCK-UHFFFAOYSA-N -1 0 435.867 3.683 50 0 IHAARM COc1cccc(-n2c(=O)c(C(=O)NCc3ccccc3Cl)c([O-])c3cccnc32)c1 ZINC000101722489 557294746 /nfs/dbraw/zinc/29/47/46/557294746.db2.gz JUKMNUMYFFBVDV-UHFFFAOYSA-N -1 0 435.867 3.683 50 0 IHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(OC)cc2)cc1 ZINC000101836382 557302991 /nfs/dbraw/zinc/30/29/91/557302991.db2.gz UXHYGJAXGVVQFC-FQEVSTJZSA-N -1 0 434.452 3.526 50 0 IHAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)c1 ZINC000101892798 557305938 /nfs/dbraw/zinc/30/59/38/557305938.db2.gz VJGFFWBKWLUTQT-RBUKOAKNSA-N -1 0 448.508 3.569 50 0 IHAARM CCOC(=O)C1=C(NS(=O)(=O)c2cccc(C(C)=O)c2)[N-]c2ccccc2N=C1CC ZINC000102386957 557320375 /nfs/dbraw/zinc/32/03/75/557320375.db2.gz LNMPHAUDNMOSEQ-UHFFFAOYSA-N -1 0 441.509 3.550 50 0 IHAARM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000000839174 557337074 /nfs/dbraw/zinc/33/70/74/557337074.db2.gz RXQHBVQGPPRMBY-UHFFFAOYSA-N -1 0 429.498 3.672 50 0 IHAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000013941019 557397300 /nfs/dbraw/zinc/39/73/00/557397300.db2.gz JKNFLIHXIBJZHL-UHFFFAOYSA-N -1 0 443.706 3.936 50 0 IHAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000102894444 557406007 /nfs/dbraw/zinc/40/60/07/557406007.db2.gz UQJYVNRMRZUAPK-HBUWYVDXSA-N -1 0 440.525 3.964 50 0 IHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(Br)c3)cc2[n-]c1=S ZINC000103062748 557417564 /nfs/dbraw/zinc/41/75/64/557417564.db2.gz SDSNQKGPKNOMFF-NSHDSACASA-N -1 0 432.343 3.959 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1Cl ZINC000101262200 557455991 /nfs/dbraw/zinc/45/59/91/557455991.db2.gz OYJYMSCVYWPSLS-QZTJIDSGSA-N -1 0 436.859 3.500 50 0 IHAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)c(C(=O)[O-])c2)CC1 ZINC000045967605 557557219 /nfs/dbraw/zinc/55/72/19/557557219.db2.gz OMZGFIBJUCIELD-UHFFFAOYSA-N -1 0 431.876 3.569 50 0 IHAARM CC(C)S(=O)(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000225398369 557718404 /nfs/dbraw/zinc/71/84/04/557718404.db2.gz XPIPSAGDMVLQOM-LBPRGKRZSA-N -1 0 429.947 3.646 50 0 IHAARM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450517 557734212 /nfs/dbraw/zinc/73/42/12/557734212.db2.gz JCTRSSDLFAICRW-UHFFFAOYSA-N -1 0 435.343 3.857 50 0 IHAARM CCOc1cc(C(=O)[O-])cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000227174083 557812554 /nfs/dbraw/zinc/81/25/54/557812554.db2.gz SKRIHQJXEVXPGL-UHFFFAOYSA-N -1 0 435.679 3.967 50 0 IHAARM CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(=O)[O-])c3ccccc3C2c2ccccc21 ZINC000000849899 557829553 /nfs/dbraw/zinc/82/95/53/557829553.db2.gz ANZGRBZHUYMSGD-KWMZMRFFSA-N -1 0 439.467 3.721 50 0 IHAARM COc1cc(C(=O)Nc2c3cc(Br)ccc3[nH]c2C(=O)[O-])cc(OC)c1OC ZINC000002106913 562925866 /nfs/dbraw/zinc/92/58/66/562925866.db2.gz PYAMLVXVVQQSFG-UHFFFAOYSA-N -1 0 449.257 3.907 50 0 biogenic IHAARM Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(S(=O)(=O)c2ccccc2)c3[O-])c1 ZINC000008589528 562951274 /nfs/dbraw/zinc/95/12/74/562951274.db2.gz LPJGIQRTFCDZEQ-UHFFFAOYSA-N -1 0 448.500 3.936 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2cccs2)c1 ZINC000008685547 562962552 /nfs/dbraw/zinc/96/25/52/562962552.db2.gz JJGPULKFZXUKJH-UHFFFAOYSA-N -1 0 432.523 3.747 50 0 IHAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000013147500 562985373 /nfs/dbraw/zinc/98/53/73/562985373.db2.gz KBVFGQXDEVQCEJ-JRPNMDOOSA-N -1 0 437.363 3.766 50 0 IHAARM O=C([O-])c1cccc(OS(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000009960277 562977881 /nfs/dbraw/zinc/97/78/81/562977881.db2.gz HQNAKWCXOADXNJ-UHFFFAOYSA-N -1 0 436.077 3.678 50 0 IHAARM C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC[C@H](CC(=O)[O-])C1 ZINC000089553034 563180490 /nfs/dbraw/zinc/18/04/90/563180490.db2.gz RYNIUVHBZYNNGX-WDEREUQCSA-N -1 0 448.155 3.725 50 0 IHAARM COc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1O ZINC000044320290 568620077 /nfs/dbraw/zinc/62/00/77/568620077.db2.gz SXWVQIGAXHJFCT-NRFANRHFSA-N -1 0 433.460 3.935 50 0 IHAARM CCOc1c(Br)cc(F)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000012944519 568870500 /nfs/dbraw/zinc/87/05/00/568870500.db2.gz MNDVVTZFTXNSHB-UHFFFAOYSA-N -1 0 442.262 3.894 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253534397 568920200 /nfs/dbraw/zinc/92/02/00/568920200.db2.gz WVULKSPCQVQLCU-VEMUWCGDSA-N -1 0 449.632 3.594 50 0 IHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(F)c2)c(OC)c1 ZINC000089434857 568924804 /nfs/dbraw/zinc/92/48/04/568924804.db2.gz PFNVVAWADHMZKO-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)COc2ccccc2OC)c1 ZINC000089481809 568926732 /nfs/dbraw/zinc/92/67/32/568926732.db2.gz FGHMWIVBMIVQNG-UHFFFAOYSA-N -1 0 442.493 3.522 50 0 IHAARM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000006624512 568941977 /nfs/dbraw/zinc/94/19/77/568941977.db2.gz WSBGVLHRRFXMNO-UGKGYDQZSA-N -1 0 426.513 3.860 50 0 biogenic IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000064774848 568954051 /nfs/dbraw/zinc/95/40/51/568954051.db2.gz CCBIFZXNXRKSIA-UHFFFAOYSA-N -1 0 443.916 3.895 50 0 IHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cccc(F)c2)[n-]c1=O ZINC000064774463 568954322 /nfs/dbraw/zinc/95/43/22/568954322.db2.gz VULIZRHZAJFEIN-UHFFFAOYSA-N -1 0 441.488 3.689 50 0 IHAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)N2CCc3ccccc32)[n-]c1=O ZINC000064774925 568954358 /nfs/dbraw/zinc/95/43/58/568954358.db2.gz XYLQHWYRVWZPQA-UHFFFAOYSA-N -1 0 449.536 3.583 50 0 IHAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCC(Cc3ccccc3)CC1)cn2CC(=O)[O-] ZINC000036357878 569084821 /nfs/dbraw/zinc/08/48/21/569084821.db2.gz FHYLDQBNRPHBAU-XMMPIXPASA-N -1 0 436.508 3.815 50 0 IHAARM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(Cc2cccs2)CC1 ZINC000036360670 569086655 /nfs/dbraw/zinc/08/66/55/569086655.db2.gz ABXSRYKYJSVDIY-OAQYLSRUSA-N -1 0 440.569 3.767 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCC3)c2c1 ZINC000065115194 569106801 /nfs/dbraw/zinc/10/68/01/569106801.db2.gz KLWWQVQRBLGHEG-UHFFFAOYSA-N -1 0 435.889 3.527 50 0 IHAARM CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000037019033 569139600 /nfs/dbraw/zinc/13/96/00/569139600.db2.gz URNYVXMPGAGPHS-DINCDJDBSA-N -1 0 441.509 3.734 50 0 IHAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000013575707 569155850 /nfs/dbraw/zinc/15/58/50/569155850.db2.gz OWWRGXMZNJWHHX-DEDYPNTBSA-N -1 0 434.423 3.942 50 0 IHAARM CCOC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000013579264 569156115 /nfs/dbraw/zinc/15/61/15/569156115.db2.gz PJEOQPIHDPRPMB-OWBHPGMISA-N -1 0 442.493 3.564 50 0 IHAARM Cc1ccc(-n2c3nc(SCC(=O)NC4CCCC4)[n-]c(=O)c3sc2=S)cc1 ZINC000016840463 569163105 /nfs/dbraw/zinc/16/31/05/569163105.db2.gz OEHMSFPGJVAYDQ-UHFFFAOYSA-N -1 0 432.596 3.964 50 0 IHAARM Cc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4cccs4)ccc32)cc1 ZINC000017050782 569171795 /nfs/dbraw/zinc/17/17/95/569171795.db2.gz YZUVZLNEDIODLE-UHFFFAOYSA-N -1 0 448.591 3.999 50 0 IHAARM CCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000002153612 569187422 /nfs/dbraw/zinc/18/74/22/569187422.db2.gz CVKBHANRTYTDBG-UHFFFAOYSA-N -1 0 444.538 3.935 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000257358869 569263835 /nfs/dbraw/zinc/26/38/35/569263835.db2.gz WVULKSPCQVQLCU-VVSOOICYSA-N -1 0 449.632 3.594 50 0 IHAARM COc1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc2c1OCCO2 ZINC000253410722 569265709 /nfs/dbraw/zinc/26/57/09/569265709.db2.gz NQOQQXLDUWDGDG-KRWDZBQOSA-N -1 0 432.428 3.844 50 0 biogenic IHAARM O=S(=O)([N-]c1nc2cc3c(cc2nc1N1CCCCCC1)OCCO3)c1ccccc1 ZINC000013057209 569308410 /nfs/dbraw/zinc/30/84/10/569308410.db2.gz ZWYWJPLPFVZPHE-UHFFFAOYSA-N -1 0 440.525 3.582 50 0 IHAARM CCOCCCNC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349413 569313116 /nfs/dbraw/zinc/31/31/16/569313116.db2.gz REDJTHACZSGFEM-UHFFFAOYSA-N -1 0 434.543 3.645 50 0 IHAARM COCCCNC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000013349214 569313226 /nfs/dbraw/zinc/31/32/26/569313226.db2.gz UKJWZQLXVYCJBA-UHFFFAOYSA-N -1 0 448.570 3.872 50 0 IHAARM COCCCNC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000013349014 569313245 /nfs/dbraw/zinc/31/32/45/569313245.db2.gz VSBBDSQKSHYXAA-UHFFFAOYSA-N -1 0 434.543 3.564 50 0 IHAARM COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)cc1OC ZINC000079016028 569321957 /nfs/dbraw/zinc/32/19/57/569321957.db2.gz PHXWKGXDOCDJSQ-VQHVLOKHSA-N -1 0 445.522 3.613 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCc4ccc(C)cc4)c3=O)c2c1 ZINC000020330572 569360826 /nfs/dbraw/zinc/36/08/26/569360826.db2.gz VXCOFVYWHIZBSP-UHFFFAOYSA-N -1 0 436.537 3.954 50 0 IHAARM COc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)c(OC)c1OC ZINC000095463950 569370419 /nfs/dbraw/zinc/37/04/19/569370419.db2.gz OGHJCJFWSIDMRS-KRWDZBQOSA-N -1 0 433.526 3.699 50 0 IHAARM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cnc(Cl)c(Br)c3)cc2F)c1 ZINC000095944090 569375691 /nfs/dbraw/zinc/37/56/91/569375691.db2.gz NDPXGTZAWNNHFA-UHFFFAOYSA-N -1 0 445.701 3.932 50 0 IHAARM COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1c([O-])nc2ccccn2c1=O ZINC000096117155 569383977 /nfs/dbraw/zinc/38/39/77/569383977.db2.gz OQTBTELHFIKACB-NRFANRHFSA-N -1 0 444.487 3.717 50 0 IHAARM CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3cccc(C(F)(F)F)c3)c2C)c(C)n1 ZINC000002792434 569421881 /nfs/dbraw/zinc/42/18/81/569421881.db2.gz WFCZTUYWASYEPG-UHFFFAOYSA-N -1 0 441.479 3.893 50 0 IHAARM O=C([O-])C1CCN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000003279584 569443794 /nfs/dbraw/zinc/44/37/94/569443794.db2.gz YOWSTZJWJGCFSW-UHFFFAOYSA-N -1 0 434.521 3.621 50 0 IHAARM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4ccc(CO)cc42)CC3)cc1 ZINC000031816307 569457999 /nfs/dbraw/zinc/45/79/99/569457999.db2.gz ASKNPQBBHSJLQN-QFIPXVFZSA-N -1 0 449.532 3.976 50 0 IHAARM O=C(NC1CCCCCC1)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000008662209 569469953 /nfs/dbraw/zinc/46/99/53/569469953.db2.gz KRUJSZDKSHXSRO-UHFFFAOYSA-N -1 0 442.585 3.524 50 0 IHAARM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000008756850 569474101 /nfs/dbraw/zinc/47/41/01/569474101.db2.gz VAVDIVFEGZVGCT-CYBMUJFWSA-N -1 0 432.502 3.536 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000008837269 569478238 /nfs/dbraw/zinc/47/82/38/569478238.db2.gz WVULKSPCQVQLCU-NPGFVZTASA-N -1 0 449.632 3.594 50 0 IHAARM CCc1c(C(=O)[O-])nnn1-c1cccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)c1 ZINC000040146645 569492289 /nfs/dbraw/zinc/49/22/89/569492289.db2.gz RMEUKTHFIDPHCL-UHFFFAOYSA-N -1 0 442.541 3.917 50 0 IHAARM Cc1c(C(=O)[O-])sc2[nH]c(CSc3nnc(COc4cccc(C)c4)o3)nc(=O)c12 ZINC000009127987 569505334 /nfs/dbraw/zinc/50/53/34/569505334.db2.gz YETKGIKPPNQDFS-UHFFFAOYSA-N -1 0 444.494 3.554 50 0 IHAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000040450282 569506266 /nfs/dbraw/zinc/50/62/66/569506266.db2.gz KDSIZLBVCJEMCT-UHFFFAOYSA-N -1 0 427.295 3.688 50 0 IHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(Br)cc2C[C@H]1C ZINC000040450692 569506431 /nfs/dbraw/zinc/50/64/31/569506431.db2.gz CWILMRZFTACZNB-LLVKDONJSA-N -1 0 441.322 3.995 50 0 IHAARM CCOC(=O)c1c(N)n(-c2cccc3ccc(C(=O)[O-])nc32)c2nc3ccccc3nc21 ZINC000009144777 569507352 /nfs/dbraw/zinc/50/73/52/569507352.db2.gz UCKPGZCZLMNWLE-UHFFFAOYSA-N -1 0 427.420 3.579 50 0 IHAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000069598391 569508842 /nfs/dbraw/zinc/50/88/42/569508842.db2.gz SUOXPADYKWUDFP-MRXNPFEDSA-N -1 0 430.327 3.952 50 0 IHAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccc(OC)cc1 ZINC000009300233 569520655 /nfs/dbraw/zinc/52/06/55/569520655.db2.gz SDIHGCMICARBPW-UHFFFAOYSA-N -1 0 432.885 3.708 50 0 IHAARM O=C([O-])[C@H]1CCCN(C(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)C1 ZINC000009476605 569539101 /nfs/dbraw/zinc/53/91/01/569539101.db2.gz JFCAPVQCHRVKMT-HNNXBMFYSA-N -1 0 441.867 3.815 50 0 IHAARM COc1cc(NC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc(OC)c1OC ZINC000009485728 569539593 /nfs/dbraw/zinc/53/95/93/569539593.db2.gz VAGRESLYAKRMHR-UHFFFAOYSA-N -1 0 433.844 3.667 50 0 IHAARM COc1ccc(-c2nc(N3CCCC3)nc3nn4c(nc(C)c(CCC(=O)[O-])c4C)c32)cc1 ZINC000009560305 569547057 /nfs/dbraw/zinc/54/70/57/569547057.db2.gz JEJVSVZSKWTPJN-UHFFFAOYSA-N -1 0 446.511 3.582 50 0 IHAARM O=C(CSc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1)Nc1nccs1 ZINC000070635148 569548667 /nfs/dbraw/zinc/54/86/67/569548667.db2.gz WYNHZGNNIKCQCH-UHFFFAOYSA-N -1 0 444.523 3.633 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)on1 ZINC000009637728 569554872 /nfs/dbraw/zinc/55/48/72/569554872.db2.gz RMDTXKVYDFWJTL-UHFFFAOYSA-N -1 0 430.482 3.945 50 0 IHAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000009764054 569566719 /nfs/dbraw/zinc/56/67/19/569566719.db2.gz JICIMEADVXUCOD-CXUHLZMHSA-N -1 0 446.868 3.809 50 0 IHAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009805567 569568751 /nfs/dbraw/zinc/56/87/51/569568751.db2.gz NWKCFPBYTQTQGX-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCc1ccc(F)cc1 ZINC000009828508 569569709 /nfs/dbraw/zinc/56/97/09/569569709.db2.gz YAZYCHMMGJROIU-UHFFFAOYSA-N -1 0 439.921 3.595 50 0 IHAARM COc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1Cl ZINC000009828735 569569840 /nfs/dbraw/zinc/56/98/40/569569840.db2.gz LXJKRQYUEFNZLQ-UHFFFAOYSA-N -1 0 437.930 3.787 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccccc3SC)cs2)cc1 ZINC000009828654 569569854 /nfs/dbraw/zinc/56/98/54/569569854.db2.gz BTQWOEFLIWTKLH-UHFFFAOYSA-N -1 0 449.579 3.856 50 0 IHAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1Br ZINC000009939834 569573894 /nfs/dbraw/zinc/57/38/94/569573894.db2.gz UWXWQNWZHUYTQM-CVEARBPZSA-N -1 0 449.692 3.605 50 0 IHAARM CC(Nc1ccc(Sc2ccc(Br)cc2)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000009983331 569576635 /nfs/dbraw/zinc/57/66/35/569576635.db2.gz LPAUHEJOYLWOMN-UHFFFAOYSA-N -1 0 432.299 3.652 50 0 IHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000001244916 132240771 /nfs/dbraw/zinc/24/07/71/132240771.db2.gz LIGOIMAYYOHCSW-VQTJNVASSA-N -1 0 442.519 3.612 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000021882680 519713108 /nfs/dbraw/zinc/71/31/08/519713108.db2.gz QEWHEKXVKOETLR-UHFFFAOYSA-N -1 0 443.916 3.895 50 0 IHAARM CCOc1ccc(Br)cc1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000009891868 520864074 /nfs/dbraw/zinc/86/40/74/520864074.db2.gz BVXLLCXBTZMBEZ-UHFFFAOYSA-N -1 0 435.318 3.995 50 0 IHAARM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000012521016 522295872 /nfs/dbraw/zinc/29/58/72/522295872.db2.gz SKAAUAAJMZHQMZ-UHFFFAOYSA-N -1 0 434.564 3.547 50 0 IHAARM CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022854460 522536596 /nfs/dbraw/zinc/53/65/96/522536596.db2.gz AZALQOOSAKRADW-INIZCTEOSA-N -1 0 439.507 3.805 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1C ZINC000012557210 524642682 /nfs/dbraw/zinc/64/26/82/524642682.db2.gz MOPXYQSOMJILAL-UHFFFAOYSA-N -1 0 446.550 3.914 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccccc2F)c1 ZINC000012557302 524643718 /nfs/dbraw/zinc/64/37/18/524643718.db2.gz OLHXSNDCYHVQRQ-UHFFFAOYSA-N -1 0 430.457 3.522 50 0 IHAARM Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000012600758 524728788 /nfs/dbraw/zinc/72/87/88/524728788.db2.gz OCFRBQVLKFUZRI-UHFFFAOYSA-N -1 0 440.525 3.610 50 0 IHAARM COc1ccc(OC)c(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000012735744 524836568 /nfs/dbraw/zinc/83/65/68/524836568.db2.gz LHRYKEYEZLMTNP-UHFFFAOYSA-N -1 0 444.484 3.574 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 ZINC000020554914 524878680 /nfs/dbraw/zinc/87/86/80/524878680.db2.gz XBUWNCHKDGICBH-UHFFFAOYSA-N -1 0 440.525 3.562 50 0 IHAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000012545744 525264949 /nfs/dbraw/zinc/26/49/49/525264949.db2.gz AYZUHWMSDJHSST-UHFFFAOYSA-N -1 0 428.963 3.535 50 0 IHAARM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4cc(F)ccc4OC)c3)cn2n1 ZINC000012441330 525656046 /nfs/dbraw/zinc/65/60/46/525656046.db2.gz AEYSVOXJCWLGQE-UHFFFAOYSA-N -1 0 442.472 3.662 50 0 IHAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852783 527206828 /nfs/dbraw/zinc/20/68/28/527206828.db2.gz NKLNZTLMWKKUQC-FQEVSTJZSA-N -1 0 437.544 3.851 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1 ZINC000000677011 555535537 /nfs/dbraw/zinc/53/55/37/555535537.db2.gz VOUXUXNAQVPMKR-UHFFFAOYSA-N -1 0 429.498 3.925 50 0 aggregator IHAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000000705378 555544615 /nfs/dbraw/zinc/54/46/15/555544615.db2.gz DXHRMYFWXHMXON-LJQANCHMSA-N -1 0 434.473 3.542 50 0 IHAARM CC1(C)[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)[C@H]1C=C(Cl)Cl ZINC000000913106 555582801 /nfs/dbraw/zinc/58/28/01/555582801.db2.gz BXRJPUFWPKJPOD-HIFRSBDPSA-N -1 0 441.340 3.807 50 0 IHAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000001175093 555669119 /nfs/dbraw/zinc/66/91/19/555669119.db2.gz KWCOGZDTGIIYTJ-UHFFFAOYSA-N -1 0 443.528 3.936 50 0 IHAARM CC(C)(C)OC(=O)N[C@H](CCC(=O)NC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000002517114 555785615 /nfs/dbraw/zinc/78/56/15/555785615.db2.gz HOIIDGIJEPOSLL-MRXNPFEDSA-N -1 0 426.469 3.756 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000002742433 555807677 /nfs/dbraw/zinc/80/76/77/555807677.db2.gz KQVCVLQUOWNCRN-UHFFFAOYSA-N -1 0 449.382 3.892 50 0 IHAARM Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002851721 555839498 /nfs/dbraw/zinc/83/94/98/555839498.db2.gz GPGKZTUNCUJFGD-UHFFFAOYSA-N -1 0 446.529 3.817 50 0 IHAARM COc1ccccc1C(=O)N/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002955099 555866649 /nfs/dbraw/zinc/86/66/49/555866649.db2.gz GPEPSFVXPCOIQC-XSFVSMFZSA-N -1 0 434.423 3.942 50 0 IHAARM O=C(CCc1nnc(-c2cccc(OCC3CC3)c2)[n-]c1=O)NCCCc1ccccc1 ZINC000034765515 555906492 /nfs/dbraw/zinc/90/64/92/555906492.db2.gz VRCUEKISWDVIEZ-UHFFFAOYSA-N -1 0 432.524 3.715 50 0 IHAARM COc1ccccc1CCNC(=O)CCc1nnc(-c2ccc(C)c(Cl)c2)[n-]c1=O ZINC000034767868 555907581 /nfs/dbraw/zinc/90/75/81/555907581.db2.gz BZWYCLJMRVVZDS-UHFFFAOYSA-N -1 0 426.904 3.506 50 0 IHAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)cc1 ZINC000002818777 556146195 /nfs/dbraw/zinc/14/61/95/556146195.db2.gz YAGRZJNHVFSXSX-UHFFFAOYSA-N -1 0 434.477 3.692 50 0 IHAARM CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000008723242 556203728 /nfs/dbraw/zinc/20/37/28/556203728.db2.gz RAUOAVZEVRHMTO-UHFFFAOYSA-N -1 0 426.498 3.545 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)Nc4cccnc4)cc3s2)cc1 ZINC000013692127 556281748 /nfs/dbraw/zinc/28/17/48/556281748.db2.gz SNWITXBOIVWHTC-UHFFFAOYSA-N -1 0 440.506 3.753 50 0 IHAARM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000032926346 556655437 /nfs/dbraw/zinc/65/54/37/556655437.db2.gz ZTUFWZVCPQGMPY-UHFFFAOYSA-N -1 0 429.311 3.871 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000017097995 556662535 /nfs/dbraw/zinc/66/25/35/556662535.db2.gz NIKUQRFDOCPUPO-UHFFFAOYSA-N -1 0 432.523 3.605 50 0 IHAARM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2)c1ccccc1 ZINC000100486645 556664353 /nfs/dbraw/zinc/66/43/53/556664353.db2.gz VHJSCQSNCPYRRD-PZJWPPBQSA-N -1 0 429.863 3.957 50 0 aggregator IHAARM COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)c1 ZINC000061719354 556726393 /nfs/dbraw/zinc/72/63/93/556726393.db2.gz DYCFXMOCIBWVEQ-INIZCTEOSA-N -1 0 428.391 3.945 50 0 IHAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc(OC)c1O ZINC000061720153 556727171 /nfs/dbraw/zinc/72/71/71/556727171.db2.gz VBYXUWBRQQCFGV-LBPRGKRZSA-N -1 0 426.400 3.512 50 0 IHAARM O=C([O-])CC1(CNC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)CCCCC1 ZINC000061720953 556728473 /nfs/dbraw/zinc/72/84/73/556728473.db2.gz ZKMLHZRJUPZFMQ-UHFFFAOYSA-N -1 0 433.508 3.605 50 0 IHAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)Nc2ccccc2Cl)CC4)cc1 ZINC000097942117 556812899 /nfs/dbraw/zinc/81/28/99/556812899.db2.gz JUENGPFYCZJMES-UHFFFAOYSA-N -1 0 449.898 3.942 50 0 IHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000019630025 556832089 /nfs/dbraw/zinc/83/20/89/556832089.db2.gz HTBJJTSIHZEUCY-HOTGVXAUSA-N -1 0 439.537 3.557 50 0 IHAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000019643370 556838119 /nfs/dbraw/zinc/83/81/19/556838119.db2.gz CTJJDFGIBRGKMS-CABCVRRESA-N -1 0 445.493 3.824 50 0 IHAARM CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2cccc(OC)c2)C1 ZINC000019644653 556839515 /nfs/dbraw/zinc/83/95/15/556839515.db2.gz BARZRAMDVNLFJJ-ZDUSSCGKSA-N -1 0 446.525 3.564 50 0 IHAARM CC(C)(C)c1nc2c(o1)c(C(=O)[O-])c(I)nc2Br ZINC000066054171 556839763 /nfs/dbraw/zinc/83/97/63/556839763.db2.gz FWYVLVKDZZLHKI-UHFFFAOYSA-N -1 0 425.020 3.586 50 0 IHAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)cc1 ZINC000019854605 556931119 /nfs/dbraw/zinc/93/11/19/556931119.db2.gz PTLPLXYVOITDQV-OAHLLOKOSA-N -1 0 449.319 3.997 50 0 IHAARM O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000020149036 556990744 /nfs/dbraw/zinc/99/07/44/556990744.db2.gz GCYXEGSPUDSZJY-PTNGSMBKSA-N -1 0 449.517 3.897 50 0 IHAARM O=S(=O)([N-]c1cnc(Cl)c(Br)c1)c1cnn(Cc2ccccc2)c1 ZINC000097143787 556992280 /nfs/dbraw/zinc/99/22/80/556992280.db2.gz QTQOJGKWSZYFEH-UHFFFAOYSA-N -1 0 427.711 3.543 50 0 IHAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3F)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046009570 557019671 /nfs/dbraw/zinc/01/96/71/557019671.db2.gz WMNAFNXPBYXKFQ-UHFFFAOYSA-N -1 0 445.447 3.748 50 0 IHAARM COc1cccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c1OC(=O)c1ccccc1Cl ZINC000098086387 557121898 /nfs/dbraw/zinc/12/18/98/557121898.db2.gz QVWQIIDCTWXHPS-OQLLNIDSSA-N -1 0 447.852 3.689 50 0 IHAARM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1S(=O)(=O)NC1CC1 ZINC000024775244 557166672 /nfs/dbraw/zinc/16/66/72/557166672.db2.gz CZBPTSKLNXITCK-UHFFFAOYSA-N -1 0 436.599 3.842 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1Cl ZINC000101083665 557231643 /nfs/dbraw/zinc/23/16/43/557231643.db2.gz SRXLHPSHQYARGK-ROUUACIJSA-N -1 0 446.294 3.542 50 0 IHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000101444109 557292691 /nfs/dbraw/zinc/29/26/91/557292691.db2.gz BFUSESJTNXFNBQ-MRXNPFEDSA-N -1 0 432.505 3.581 50 0 IHAARM COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)CCCC(=O)[O-])nn32)cc1 ZINC000101797253 557298929 /nfs/dbraw/zinc/29/89/29/557298929.db2.gz NWOOUEPVGTWYRL-IBGZPJMESA-N -1 0 433.468 3.536 50 0 IHAARM COc1ccc2nc(-c3ccc(OC)c([N-]S(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1 ZINC000011693564 557391298 /nfs/dbraw/zinc/39/12/98/557391298.db2.gz XSZSXYMVKICVLN-UHFFFAOYSA-N -1 0 442.472 3.662 50 0 IHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)cc1Cl ZINC000102810927 557393206 /nfs/dbraw/zinc/39/32/06/557393206.db2.gz VHCMOVJZNDMKEJ-QGZVFWFLSA-N -1 0 442.834 3.920 50 0 IHAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000045940994 557549579 /nfs/dbraw/zinc/54/95/79/557549579.db2.gz HZXATQRFBRKSGJ-UHFFFAOYSA-N -1 0 443.525 3.968 50 0 IHAARM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000000786477 562919144 /nfs/dbraw/zinc/91/91/44/562919144.db2.gz MFWRIEXKVNVPDU-UHFFFAOYSA-N -1 0 432.299 3.897 50 0 IHAARM Cc1c(O[C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002099125 562925774 /nfs/dbraw/zinc/92/57/74/562925774.db2.gz QVTYWGMYZTWEPJ-IERDGZPVSA-N -1 0 449.503 3.560 50 0 biogenic IHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000008604841 562956450 /nfs/dbraw/zinc/95/64/50/562956450.db2.gz YQVGDNJCZXASNI-UHFFFAOYSA-N -1 0 425.459 3.645 50 0 IHAARM COc1ccc(NS(=O)(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2C)cc1 ZINC000009491491 562972097 /nfs/dbraw/zinc/97/20/97/562972097.db2.gz NXPAJSRHKSVLCF-UHFFFAOYSA-N -1 0 438.552 3.667 50 0 IHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000009715047 562975865 /nfs/dbraw/zinc/97/58/65/562975865.db2.gz VLYWIYJAGIGHOQ-UHFFFAOYSA-N -1 0 435.505 3.812 50 0 IHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000003626935 568752092 /nfs/dbraw/zinc/75/20/92/568752092.db2.gz IWGUSSQNOHLFTD-CQSZACIVSA-N -1 0 428.268 3.722 50 0 IHAARM C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000084678325 568799767 /nfs/dbraw/zinc/79/97/67/568799767.db2.gz PEZSDRFLJGUZJN-RNCFNFMXSA-N -1 0 435.811 3.812 50 0 IHAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)NCc1ccc(F)cc1)CC2 ZINC000015781912 568826202 /nfs/dbraw/zinc/82/62/02/568826202.db2.gz SCAGYAQMOJPATE-LJQANCHMSA-N -1 0 430.476 3.907 50 0 IHAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)c2)nn1 ZINC000015785232 568830041 /nfs/dbraw/zinc/83/00/41/568830041.db2.gz NZWJVABHRSMITE-UHFFFAOYSA-N -1 0 429.498 3.750 50 0 IHAARM COc1cc2c(cc1OC)[C@H](NC(=O)CCc1c(C)c3ccc(O)c(C)c3oc1=O)CC2 ZINC000583652770 568837683 /nfs/dbraw/zinc/83/76/83/568837683.db2.gz BPKFUWCAKOLYEJ-LJQANCHMSA-N -1 0 437.492 3.869 50 0 biogenic IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(Br)c1 ZINC000001514568 568839394 /nfs/dbraw/zinc/83/93/94/568839394.db2.gz QPJKKCCUUKMXOI-UHFFFAOYSA-N -1 0 438.328 3.959 50 0 IHAARM O=C([O-])C[C@H](CC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1)c1cccs1 ZINC000090607342 568889883 /nfs/dbraw/zinc/88/98/83/568889883.db2.gz PXKLFZJEJWDQPB-KRWDZBQOSA-N -1 0 430.526 3.724 50 0 IHAARM Cc1cc(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000238901381 568910265 /nfs/dbraw/zinc/91/02/65/568910265.db2.gz LTYQOLVSUIPHPB-BRWVUGGUSA-N -1 0 441.524 3.755 50 0 IHAARM CCOc1ccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000064472345 568930083 /nfs/dbraw/zinc/93/00/83/568930083.db2.gz LFJXAKQAIQCQGL-UHFFFAOYSA-N -1 0 441.509 3.616 50 0 IHAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NC(=O)COc1ccccc1 ZINC000064590336 568935196 /nfs/dbraw/zinc/93/51/96/568935196.db2.gz SNNWAJWSUKTROF-UHFFFAOYSA-N -1 0 449.482 3.868 50 0 IHAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000064590220 568935281 /nfs/dbraw/zinc/93/52/81/568935281.db2.gz PXZJTBBOZATUDO-UHFFFAOYSA-N -1 0 431.492 3.972 50 0 biogenic IHAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000016690215 568938590 /nfs/dbraw/zinc/93/85/90/568938590.db2.gz CCSRXRDCVJPSBS-MRXNPFEDSA-N -1 0 449.964 3.576 50 0 IHAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000054360729 568940602 /nfs/dbraw/zinc/94/06/02/568940602.db2.gz JICIMEADVXUCOD-SXGWCWSVSA-N -1 0 446.868 3.809 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)[n-]c1=O ZINC000064774889 568954122 /nfs/dbraw/zinc/95/41/22/568954122.db2.gz WOUMOMDSGWUNKF-UHFFFAOYSA-N -1 0 445.451 3.602 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)[n-]c1=O ZINC000064774902 568954195 /nfs/dbraw/zinc/95/41/95/568954195.db2.gz ZLQXPYMITBYPHI-UHFFFAOYSA-N -1 0 445.451 3.520 50 0 IHAARM NC(=O)COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797482 568960472 /nfs/dbraw/zinc/96/04/72/568960472.db2.gz QSYHSFYHMWCDHV-OAHLLOKOSA-N -1 0 440.452 3.591 50 0 IHAARM Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000064843275 568971084 /nfs/dbraw/zinc/97/10/84/568971084.db2.gz SCNYSCUECKORJR-UHFFFAOYSA-N -1 0 425.510 3.834 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc(OC)c1OC ZINC000064947019 568994964 /nfs/dbraw/zinc/99/49/64/568994964.db2.gz RLRGJEQESUKBMU-UHFFFAOYSA-N -1 0 431.514 3.624 50 0 IHAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnc(-c4ccccc4)o3)c2)CC1 ZINC000064988021 569082836 /nfs/dbraw/zinc/08/28/36/569082836.db2.gz YBGOWZXVPQMQDJ-UHFFFAOYSA-N -1 0 447.900 3.542 50 0 IHAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)C(=O)Nc3cc(F)ccc32)cc1 ZINC000036365133 569086851 /nfs/dbraw/zinc/08/68/51/569086851.db2.gz YCMVDTIQCLQRMH-JOCHJYFZSA-N -1 0 438.436 3.841 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000065116235 569107198 /nfs/dbraw/zinc/10/71/98/569107198.db2.gz OYRUDRBTVZGPQN-UHFFFAOYSA-N -1 0 429.498 3.980 50 0 IHAARM CCOc1ccc(-c2noc(-c3c([O-])c4cnn(-c5ccc(C)cc5)c4[nH]c3=O)n2)cc1 ZINC000065256956 569123347 /nfs/dbraw/zinc/12/33/47/569123347.db2.gz KAXNVBDGEYOBFH-UHFFFAOYSA-N -1 0 429.436 3.844 50 0 IHAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000065514821 569138928 /nfs/dbraw/zinc/13/89/28/569138928.db2.gz PMEYBJDHWGBGEP-MRXNPFEDSA-N -1 0 430.327 3.952 50 0 IHAARM C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000170592149 569140953 /nfs/dbraw/zinc/14/09/53/569140953.db2.gz RCPOGZMYCQNPNM-BBATYDOGSA-N -1 0 449.276 3.649 50 0 IHAARM NC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c1 ZINC000170609225 569144751 /nfs/dbraw/zinc/14/47/51/569144751.db2.gz IAFRDJIAWCMZRR-UHFFFAOYSA-N -1 0 444.822 3.649 50 0 IHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000170620205 569147915 /nfs/dbraw/zinc/14/79/15/569147915.db2.gz XQHJFELMXZHIHL-KRWDZBQOSA-N -1 0 446.257 3.900 50 0 IHAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC(=O)NCc3cccs3)cc2)c1 ZINC000013850452 569157309 /nfs/dbraw/zinc/15/73/09/569157309.db2.gz XXRLMYDTOUHKOY-UHFFFAOYSA-N -1 0 444.578 3.979 50 0 IHAARM Cc1nc2cc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)ccc2n1-c1ccccc1 ZINC000014370894 569158855 /nfs/dbraw/zinc/15/88/55/569158855.db2.gz QSFGMVHOQQALQK-UHFFFAOYSA-N -1 0 429.505 3.904 50 0 IHAARM Cc1ccccc1-n1c2nc(SCC(=O)NC3CCCC3)[n-]c(=O)c2sc1=S ZINC000016840443 569163162 /nfs/dbraw/zinc/16/31/62/569163162.db2.gz VJBUVJYQRPNTTE-UHFFFAOYSA-N -1 0 432.596 3.964 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC000017052821 569172056 /nfs/dbraw/zinc/17/20/56/569172056.db2.gz BWRTVBBZDGHHIQ-UHFFFAOYSA-N -1 0 431.539 3.751 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1 ZINC000017135660 569174406 /nfs/dbraw/zinc/17/44/06/569174406.db2.gz CEWQMZKIXDATPK-UHFFFAOYSA-N -1 0 431.539 3.751 50 0 IHAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc1c2C ZINC000002102225 569179823 /nfs/dbraw/zinc/17/98/23/569179823.db2.gz DQIWYYPJKGGUIL-FQEVSTJZSA-N -1 0 433.460 3.819 50 0 biogenic IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccn1 ZINC000254742024 569182918 /nfs/dbraw/zinc/18/29/18/569182918.db2.gz KMFBLKGXHJOFLP-UHFFFAOYSA-N -1 0 441.469 3.635 50 0 IHAARM CSCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000002139095 569185338 /nfs/dbraw/zinc/18/53/38/569185338.db2.gz GOJXFELDYVOARB-AUUYWEPGSA-N -1 0 441.505 3.550 50 0 biogenic IHAARM COc1ccc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NN2C(=O)CCCC(=O)[O-])cc1OC ZINC000252482490 569186487 /nfs/dbraw/zinc/18/64/87/569186487.db2.gz DGUKYWRUTQONJW-SFHVURJKSA-N -1 0 441.440 3.545 50 0 IHAARM Cc1c(S(=O)(=O)[N-]c2ncc(-c3cncc(F)c3)cn2)cnn1-c1ccc(Cl)cc1 ZINC000252497430 569187973 /nfs/dbraw/zinc/18/79/73/569187973.db2.gz QHINJYCIDPJHEB-UHFFFAOYSA-N -1 0 444.879 3.626 50 0 IHAARM CC[C@]1(C)Cc2c(sc3nc(SCC(=O)[O-])n(-c4ccc(OC)cc4)c(=O)c32)CO1 ZINC000002298726 569268415 /nfs/dbraw/zinc/26/84/15/569268415.db2.gz PRJMNXSABLIGST-OAQYLSRUSA-N -1 0 446.550 3.874 50 0 IHAARM COc1cc([C@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253470716 569282449 /nfs/dbraw/zinc/28/24/49/569282449.db2.gz ATQORFOXGWUXRS-INIZCTEOSA-N -1 0 441.411 3.691 50 0 IHAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000079045846 569323165 /nfs/dbraw/zinc/32/31/65/569323165.db2.gz WBRCOJPVNKWOFZ-UHFFFAOYSA-N -1 0 434.924 3.698 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)c3=O)c2c1 ZINC000020330341 569360742 /nfs/dbraw/zinc/36/07/42/569360742.db2.gz CVEHLNSJNFOZHI-HEHGZKQESA-N -1 0 428.558 3.880 50 0 IHAARM CCn1nnc2cc(C(=O)Nc3cccc(-n4ncc(C(=O)[O-])c4C(F)(F)F)c3)ccc21 ZINC000095425198 569365995 /nfs/dbraw/zinc/36/59/95/569365995.db2.gz LWEINPQXMQYCJR-UHFFFAOYSA-N -1 0 444.373 3.606 50 0 IHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000095463864 569370411 /nfs/dbraw/zinc/37/04/11/569370411.db2.gz FZXYFRQMNSYJMU-HXUWFJFHSA-N -1 0 437.496 3.709 50 0 IHAARM CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000096009477 569379622 /nfs/dbraw/zinc/37/96/22/569379622.db2.gz PTQNIAMSHGBOBG-UHFFFAOYSA-N -1 0 426.288 3.768 50 0 IHAARM O=C(Nc1cccc(C(F)(F)F)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000096361205 569397643 /nfs/dbraw/zinc/39/76/43/569397643.db2.gz QIXYJOZKQYIUHH-UHFFFAOYSA-N -1 0 428.367 3.621 50 0 IHAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C ZINC000002804776 569422683 /nfs/dbraw/zinc/42/26/83/569422683.db2.gz GBQGLRNOAUTERD-UHFFFAOYSA-N -1 0 428.345 3.698 50 0 IHAARM CC[C@@H](Sc1nc2ccsc2c(=O)n1CCC(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC000002932578 569426297 /nfs/dbraw/zinc/42/62/97/569426297.db2.gz FUKUYPQUMGNPRE-OAHLLOKOSA-N -1 0 431.539 3.751 50 0 IHAARM COc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000029637446 569431567 /nfs/dbraw/zinc/43/15/67/569431567.db2.gz UTNROAFIWHQUPZ-NRFANRHFSA-N -1 0 442.468 3.577 50 0 IHAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1 ZINC000003299433 569444930 /nfs/dbraw/zinc/44/49/30/569444930.db2.gz RPWCASATQSJJJL-UHFFFAOYSA-N -1 0 449.579 3.632 50 0 IHAARM CCCC[C@H](NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3)C(=O)[O-] ZINC000008765110 569474657 /nfs/dbraw/zinc/47/46/57/569474657.db2.gz ODDQNGJUGWYGSP-INIZCTEOSA-N -1 0 445.512 3.516 50 0 biogenic IHAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000008826194 569477591 /nfs/dbraw/zinc/47/75/91/569477591.db2.gz ZFWVDONKBMOUHJ-UHFFFAOYSA-N -1 0 445.928 3.517 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(CCC2=CCCCC2)c1=O ZINC000008876337 569481108 /nfs/dbraw/zinc/48/11/08/569481108.db2.gz PHGNPIHHGDQPKR-JOCHJYFZSA-N -1 0 434.540 3.581 50 0 biogenic IHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(OCC)c2)cc1 ZINC000008901285 569484250 /nfs/dbraw/zinc/48/42/50/569484250.db2.gz DUXNWTLRQRGAIG-UHFFFAOYSA-N -1 0 428.304 3.825 50 0 IHAARM COc1ccc(NC(=O)c2sc([N-]S(=O)(=O)c3ccccc3)nc2C)cc1OC ZINC000008977933 569492994 /nfs/dbraw/zinc/49/29/94/569492994.db2.gz VBUUPROMVFYPAW-UHFFFAOYSA-N -1 0 433.511 3.522 50 0 IHAARM O=C([O-])C[C@]1(C(=O)NCc2ccccc2)CC(c2ccccc2OCc2ccccc2)=NO1 ZINC000009059002 569499250 /nfs/dbraw/zinc/49/92/50/569499250.db2.gz PBWIMMYVNJXURQ-SANMLTNESA-N -1 0 444.487 3.920 50 0 IHAARM COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009119512 569503531 /nfs/dbraw/zinc/50/35/31/569503531.db2.gz KFYHRBLTJJNFFS-UHFFFAOYSA-N -1 0 444.440 3.616 50 0 IHAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)cc21 ZINC000040450381 569506303 /nfs/dbraw/zinc/50/63/03/569506303.db2.gz QRABWEQXQBSWDE-UHFFFAOYSA-N -1 0 441.322 3.997 50 0 IHAARM COc1ccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cccs3)c2)cc1 ZINC000009376368 569527302 /nfs/dbraw/zinc/52/73/02/569527302.db2.gz CRAYOYLBHQNTHK-UHFFFAOYSA-N -1 0 438.552 3.667 50 0 IHAARM CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1SCC(=O)[O-] ZINC000009478813 569539347 /nfs/dbraw/zinc/53/93/47/569539347.db2.gz AMYLERDIXIPONI-UHFFFAOYSA-N -1 0 430.555 3.868 50 0 IHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(-n2c(C)nc3ccccc3c2=O)c1 ZINC000009715046 569563006 /nfs/dbraw/zinc/56/30/06/569563006.db2.gz YPDYDNXKRKOLFC-UHFFFAOYSA-N -1 0 435.505 3.812 50 0 IHAARM Cc1noc2nc(C)cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)n4)cc3)c12 ZINC000058015811 569584955 /nfs/dbraw/zinc/58/49/55/569584955.db2.gz VMOLUCNIMIGFGA-UHFFFAOYSA-N -1 0 437.481 3.596 50 0 IHAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146995 193884509 /nfs/dbraw/zinc/88/45/09/193884509.db2.gz OBLXORKGOMQXFH-UHFFFAOYSA-N -1 0 428.441 3.650 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000009860965 193911302 /nfs/dbraw/zinc/91/13/02/193911302.db2.gz ZUUITSHWOUYTIC-CCQQUTMYSA-N -1 0 429.859 3.975 50 0 IHAARM Cc1ccc(N2C(=O)[N-]C(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)cc1 ZINC000013451728 132347032 /nfs/dbraw/zinc/34/70/32/132347032.db2.gz BPCSYQHEABFUDH-UHFFFAOYSA-N -1 0 428.492 3.620 50 0 IHAARM CCN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022795367 521692494 /nfs/dbraw/zinc/69/24/94/521692494.db2.gz FENMIPHYCKZMJS-QGZVFWFLSA-N -1 0 427.505 3.622 50 0 IHAARM CCc1nc2sc([C@H](c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854939 522538734 /nfs/dbraw/zinc/53/87/34/522538734.db2.gz KSWPMYRFUJLFCH-SFHVURJKSA-N -1 0 427.505 3.703 50 0 IHAARM COc1ccc(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000035397509 525088457 /nfs/dbraw/zinc/08/84/57/525088457.db2.gz ZLAHFWRCMBTLLN-UHFFFAOYSA-N -1 0 435.546 3.708 50 0 IHAARM COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000022609472 525212929 /nfs/dbraw/zinc/21/29/29/525212929.db2.gz SZRRRJTUQNXWPK-IBGZPJMESA-N -1 0 439.516 3.556 50 0 IHAARM C[C@]1(c2ccccc2)C[C@H](Nc2ccc(I)cc2C(=O)[O-])C(=O)O1 ZINC000012402139 525332615 /nfs/dbraw/zinc/33/26/15/525332615.db2.gz BUPYJCMKAHHTOT-MAUKXSAKSA-N -1 0 437.233 3.632 50 0 biogenic,in-vitro IHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1C(=O)N1CCCCC1 ZINC000015936572 525412851 /nfs/dbraw/zinc/41/28/51/525412851.db2.gz CXAFVXOVHFQTSD-UHFFFAOYSA-N -1 0 445.463 3.957 50 0 IHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012926798 526316802 /nfs/dbraw/zinc/31/68/02/526316802.db2.gz SDWGBSQMFXTECB-ROUUACIJSA-N -1 0 434.901 3.746 50 0 IHAARM [O-]c1c([C@@H](c2ccc(Cl)cc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852005 526331378 /nfs/dbraw/zinc/33/13/78/526331378.db2.gz QVANZYYGECWQGS-MRXNPFEDSA-N -1 0 430.917 3.956 50 0 IHAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 ZINC000022609732 526333398 /nfs/dbraw/zinc/33/33/98/526333398.db2.gz QUYLHFQXSQEENZ-SFHVURJKSA-N -1 0 427.480 3.686 50 0 IHAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000012650697 527531681 /nfs/dbraw/zinc/53/16/81/527531681.db2.gz HCBYJWQJJHIWMO-UHFFFAOYSA-N -1 0 431.362 3.591 50 0 IHAARM O=C([O-])CNC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000018195671 527612718 /nfs/dbraw/zinc/61/27/18/527612718.db2.gz QYQSMLWURQAKOI-UHFFFAOYSA-N -1 0 427.309 3.680 50 0 IHAARM O=C([O-])CSc1nnc(COc2cccc(Br)c2)n1Cc1ccccc1 ZINC000015838463 527623532 /nfs/dbraw/zinc/62/35/32/527623532.db2.gz ZVBGMIYCBIZKSM-UHFFFAOYSA-N -1 0 434.315 3.845 50 0 IHAARM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000634063 555516049 /nfs/dbraw/zinc/51/60/49/555516049.db2.gz IWWFLOUSYQACGX-UHFFFAOYSA-N -1 0 426.429 3.723 50 0 IHAARM CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000000787695 555556697 /nfs/dbraw/zinc/55/66/97/555556697.db2.gz ALDSAVIFZRCZTI-UHFFFAOYSA-N -1 0 438.461 3.641 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000000945480 555587979 /nfs/dbraw/zinc/58/79/79/555587979.db2.gz VJKGSIAOXMUVOT-UHFFFAOYSA-N -1 0 436.415 3.857 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCCC4)cc2)n1 ZINC000001053806 555614301 /nfs/dbraw/zinc/61/43/01/555614301.db2.gz MHTZYXNIOJWZTR-UHFFFAOYSA-N -1 0 428.539 3.778 50 0 IHAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000001107617 555629891 /nfs/dbraw/zinc/62/98/91/555629891.db2.gz KFHWVDRBZXSMKV-UHFFFAOYSA-N -1 0 434.271 3.928 50 0 IHAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000001196481 555676920 /nfs/dbraw/zinc/67/69/20/555676920.db2.gz KQXBEIPUXJBKPB-UHFFFAOYSA-N -1 0 428.441 3.885 50 0 IHAARM CCOc1ccc2nc([N-][C@@](NC(=O)CC(C)C)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000002050516 555728683 /nfs/dbraw/zinc/72/86/83/555728683.db2.gz NDTWSNGUYGCVNQ-KRWDZBQOSA-N -1 0 433.452 3.701 50 0 IHAARM CCC[C@@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-] ZINC000002108194 555743797 /nfs/dbraw/zinc/74/37/97/555743797.db2.gz OFKJONSDTLMQJR-HXUWFJFHSA-N -1 0 437.492 3.749 50 0 biogenic IHAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12 ZINC000002115928 555744998 /nfs/dbraw/zinc/74/49/98/555744998.db2.gz KHEYFSVLVOIKRL-SFHVURJKSA-N -1 0 443.883 3.508 50 0 biogenic IHAARM CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000002828541 555831684 /nfs/dbraw/zinc/83/16/84/555831684.db2.gz NXPFQYOEATXNML-UHFFFAOYSA-N -1 0 444.538 3.791 50 0 IHAARM CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2C1=O ZINC000002994947 555876044 /nfs/dbraw/zinc/87/60/44/555876044.db2.gz UZFNMLWGFXOFEP-UHFFFAOYSA-N -1 0 445.269 3.794 50 0 IHAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(I)cc1)C(=O)[O-] ZINC000004241174 555978851 /nfs/dbraw/zinc/97/88/51/555978851.db2.gz NXSXNFISDKPVCF-KRWDZBQOSA-N -1 0 431.270 3.688 50 0 IHAARM O=C([O-])/C=C/C(=O)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000002628657 556115947 /nfs/dbraw/zinc/11/59/47/556115947.db2.gz FZCNZJMCKXNABM-MDZDMXLPSA-N -1 0 426.270 3.559 50 0 IHAARM Cc1cc(C)n([N-]C(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)F)c(=O)c1 ZINC000002787190 556138840 /nfs/dbraw/zinc/13/88/40/556138840.db2.gz QAOZLOSBTUECIJ-UHFFFAOYSA-N -1 0 427.386 3.635 50 0 IHAARM Cc1ccc(CNC(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)o1 ZINC000002974427 556152790 /nfs/dbraw/zinc/15/27/90/556152790.db2.gz AGYPDFWIZFVCBX-UHFFFAOYSA-N -1 0 429.498 3.566 50 0 IHAARM CCOC(=O)[C@@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1cccnc1)C(F)(F)F ZINC000008629626 556194072 /nfs/dbraw/zinc/19/40/72/556194072.db2.gz WJQOFFYUMRXVCV-MRXNPFEDSA-N -1 0 435.324 3.764 50 0 biogenic IHAARM CCOc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=S)N2C)ccc1OCC(=O)[O-] ZINC000009296034 556275258 /nfs/dbraw/zinc/27/52/58/556275258.db2.gz JNDZURXMAQDCNF-WQRHYEAKSA-N -1 0 440.521 3.770 50 0 IHAARM O=C(Nc1cccnc1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013692323 556281986 /nfs/dbraw/zinc/28/19/86/556281986.db2.gz NLOADFYQKWUAOW-UHFFFAOYSA-N -1 0 428.470 3.884 50 0 IHAARM C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013723590 556291781 /nfs/dbraw/zinc/29/17/81/556291781.db2.gz HFJPMFDDMOTMSJ-LBPRGKRZSA-N -1 0 428.539 3.510 50 0 IHAARM Cc1cc([O-])c(C2=NCCS[C@H](c3cccc(I)c3)C2)c(=O)o1 ZINC000013757321 556301109 /nfs/dbraw/zinc/30/11/09/556301109.db2.gz BJFZKJOBDPGZIS-HNNXBMFYSA-N -1 0 441.290 3.926 50 0 IHAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000009762992 556308545 /nfs/dbraw/zinc/30/85/45/556308545.db2.gz PAQLDDXGKHCSCX-UHFFFAOYSA-N -1 0 443.706 3.936 50 0 IHAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000015151097 556506539 /nfs/dbraw/zinc/50/65/39/556506539.db2.gz SINFFPJLLNCYFK-JTQLQIEISA-N -1 0 431.297 3.549 50 0 IHAARM CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000013610123 556534654 /nfs/dbraw/zinc/53/46/54/556534654.db2.gz CAMGOSGJNOVRHC-RWGOJESNSA-N -1 0 444.503 3.999 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2O)cc1 ZINC000003100822 556578871 /nfs/dbraw/zinc/57/88/71/556578871.db2.gz VVASPPZTEAOVBJ-UHFFFAOYSA-N -1 0 449.492 3.838 50 0 IHAARM O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000032962275 556580945 /nfs/dbraw/zinc/58/09/45/556580945.db2.gz OMYZOMGDXJFZGX-MRXNPFEDSA-N -1 0 449.598 3.559 50 0 IHAARM Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000060266398 556601020 /nfs/dbraw/zinc/60/10/20/556601020.db2.gz MMXUJVAIPUPJMT-UHFFFAOYSA-N -1 0 444.937 3.840 50 0 IHAARM O=C([N-]n1c(=O)c2c3c(sc2[nH]c1=S)CCCC3)c1ccc(Br)o1 ZINC000017094741 556657855 /nfs/dbraw/zinc/65/78/55/556657855.db2.gz MXGATOAASQQXMD-UHFFFAOYSA-N -1 0 426.317 3.739 50 0 IHAARM COc1ccc(OC)c(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCC3)c1 ZINC000017097944 556662527 /nfs/dbraw/zinc/66/25/27/556662527.db2.gz YTEPMZAPEZOLLT-UHFFFAOYSA-N -1 0 432.498 3.700 50 0 IHAARM COC(=O)c1sc(SC)nc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000253415802 556696945 /nfs/dbraw/zinc/69/69/45/556696945.db2.gz YGIKTGJPNVGQDK-UHFFFAOYSA-N -1 0 426.463 3.612 50 0 IHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)c(OC)c1 ZINC000061720532 556728006 /nfs/dbraw/zinc/72/80/06/556728006.db2.gz XWSDPWBSRAFJCX-INIZCTEOSA-N -1 0 428.391 3.945 50 0 IHAARM Cc1oncc1C(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000058230891 556774252 /nfs/dbraw/zinc/77/42/52/556774252.db2.gz SZERJNRXOURXTM-UHFFFAOYSA-N -1 0 449.872 3.696 50 0 IHAARM C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[C@H](C)CO1 ZINC000058703176 556791212 /nfs/dbraw/zinc/79/12/12/556791212.db2.gz YNIRCSWYXWRPTD-CHWSQXEVSA-N -1 0 426.897 3.529 50 0 IHAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000003315510 556809757 /nfs/dbraw/zinc/80/97/57/556809757.db2.gz RAEUUUNXYUAUHE-MDWZMJQESA-N -1 0 435.933 3.780 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000097940902 556810644 /nfs/dbraw/zinc/81/06/44/556810644.db2.gz KDAMOBIHVQSASU-UHFFFAOYSA-N -1 0 432.477 3.544 50 0 IHAARM COc1ccc(C(=O)N2CCc3c(nc4cc(-c5ccccc5Cl)[n-]n4c3=O)C2)c(C)c1 ZINC000097942001 556812804 /nfs/dbraw/zinc/81/28/04/556812804.db2.gz WFTDNSHFKJKHOP-UHFFFAOYSA-N -1 0 448.910 3.859 50 0 IHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000019630033 556832148 /nfs/dbraw/zinc/83/21/48/556832148.db2.gz HTBJJTSIHZEUCY-CVEARBPZSA-N -1 0 439.537 3.557 50 0 IHAARM Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000019630278 556832302 /nfs/dbraw/zinc/83/23/02/556832302.db2.gz BDFHISQXJQKUFO-UHFFFAOYSA-N -1 0 439.566 3.735 50 0 IHAARM C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000062580356 556836118 /nfs/dbraw/zinc/83/61/18/556836118.db2.gz FIKQBSCZRQKJHA-INIZCTEOSA-N -1 0 443.594 3.976 50 0 IHAARM COc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000033253454 556893741 /nfs/dbraw/zinc/89/37/41/556893741.db2.gz PEJMSWWJJNTPMJ-UHFFFAOYSA-N -1 0 426.494 3.831 50 0 IHAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046009567 557019736 /nfs/dbraw/zinc/01/97/36/557019736.db2.gz FPTRZKIYCLJJCI-UHFFFAOYSA-N -1 0 445.447 3.748 50 0 IHAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3)CC2)cc1 ZINC000023157300 557030582 /nfs/dbraw/zinc/03/05/82/557030582.db2.gz HSKWYULIMUXNMR-HXUWFJFHSA-N -1 0 435.553 3.725 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1C ZINC000049002756 557090457 /nfs/dbraw/zinc/09/04/57/557090457.db2.gz VNVKFMKQYAKQTH-QZTJIDSGSA-N -1 0 436.859 3.500 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cccc(CC)c2)cc1 ZINC000049003383 557091055 /nfs/dbraw/zinc/09/10/55/557091055.db2.gz URYJZODURVLKBR-UHFFFAOYSA-N -1 0 428.514 3.732 50 0 IHAARM C[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)n1cncn1 ZINC000024576349 557151736 /nfs/dbraw/zinc/15/17/36/557151736.db2.gz RJECYQNQOZKLPK-NSHDSACASA-N -1 0 440.312 3.585 50 0 IHAARM O=C(Nc1cccc(F)c1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000025045963 557190382 /nfs/dbraw/zinc/19/03/82/557190382.db2.gz RCPVAZTVWSQEMZ-UHFFFAOYSA-N -1 0 439.468 3.764 50 0 IHAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000025185117 557199427 /nfs/dbraw/zinc/19/94/27/557199427.db2.gz FWMBGTDTZQRUNY-UTKZUKDTSA-N -1 0 446.290 3.864 50 0 IHAARM O=C(NCCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000025598156 557218379 /nfs/dbraw/zinc/21/83/79/557218379.db2.gz YYLLOHBBJQCFON-UHFFFAOYSA-N -1 0 449.454 3.874 50 0 IHAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c(Cl)c1 ZINC000100036875 557238504 /nfs/dbraw/zinc/23/85/04/557238504.db2.gz PEVLPDUMASZYMB-VQTJNVASSA-N -1 0 439.903 3.704 50 0 IHAARM Cc1ccc([S@@](C)(=O)=NC(=O)[N-]S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000100218506 557248480 /nfs/dbraw/zinc/24/84/80/557248480.db2.gz LNTCBEHKJJTOKR-RUZDIDTESA-N -1 0 437.326 3.792 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)N(Cc4ccccc4)C(C)C)c3=O)c2c1 ZINC000101497680 557289554 /nfs/dbraw/zinc/28/95/54/557289554.db2.gz CJFWYKDFBJOMIE-UHFFFAOYSA-N -1 0 436.537 3.986 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1C ZINC000101893118 557306169 /nfs/dbraw/zinc/30/61/69/557306169.db2.gz LNFSXJRAMZOCQB-ROUUACIJSA-N -1 0 436.859 3.500 50 0 IHAARM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)C1 ZINC000102879024 557407349 /nfs/dbraw/zinc/40/73/49/557407349.db2.gz XWJGSEFESMLQHZ-XJKSGUPXSA-N -1 0 434.949 3.823 50 0 IHAARM COc1ccccc1-n1c(O)c2n(-c3ccc(C)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O ZINC000100487410 557409975 /nfs/dbraw/zinc/40/99/75/557409975.db2.gz GMEACKGFWFQHFV-GGAORHGYSA-N -1 0 439.471 3.621 50 0 IHAARM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000408518636 557412649 /nfs/dbraw/zinc/41/26/49/557412649.db2.gz REBDMSKGEYUMQR-UHFFFAOYSA-N -1 0 437.417 3.516 50 0 IHAARM CCn1c(=O)c2ccc(C(=O)NC3(c4ccc(Br)cc4)CC3)cc2[n-]c1=S ZINC000103469604 557437637 /nfs/dbraw/zinc/43/76/37/557437637.db2.gz UJMHYEWLVBJGCV-UHFFFAOYSA-N -1 0 444.354 3.887 50 0 IHAARM Cc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1C ZINC000051316757 557465523 /nfs/dbraw/zinc/46/55/23/557465523.db2.gz WQOKNCYRHWWMCM-UHFFFAOYSA-N -1 0 441.463 3.735 50 0 IHAARM O=C([O-])c1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000020233660 557519158 /nfs/dbraw/zinc/51/91/58/557519158.db2.gz UVJWMYNQKLZTIY-UHFFFAOYSA-N -1 0 444.896 3.872 50 0 IHAARM Cn1c2cc([N-]S(=O)(=O)c3ccccc3F)c(Sc3ccccc3)cc2n(C)c1=O ZINC000045941165 557549549 /nfs/dbraw/zinc/54/95/49/557549549.db2.gz PVBSPJNKOSGHKC-UHFFFAOYSA-N -1 0 443.525 3.968 50 0 IHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2)s1 ZINC000001771859 562924612 /nfs/dbraw/zinc/92/46/12/562924612.db2.gz BAIITTRNRJELLP-UHFFFAOYSA-N -1 0 445.551 3.763 50 0 IHAARM Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(S(=O)(=O)c2ccccc2)c3[O-])c1C ZINC000008589503 562951200 /nfs/dbraw/zinc/95/12/00/562951200.db2.gz QAYSMFGORCKEHK-UHFFFAOYSA-N -1 0 448.500 3.936 50 0 IHAARM C[C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000016842849 563021004 /nfs/dbraw/zinc/02/10/04/563021004.db2.gz GVSOIVKMMKVGQB-GOSISDBHSA-N -1 0 439.581 3.906 50 0 IHAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)c(=O)n12 ZINC000020178060 563023918 /nfs/dbraw/zinc/02/39/18/563023918.db2.gz WGIYEOWXKAZSLA-UHFFFAOYSA-N -1 0 437.852 3.846 50 0 IHAARM COc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc(Br)cc3)s2)cc1 ZINC000000947780 568643811 /nfs/dbraw/zinc/64/38/11/568643811.db2.gz KCEMLRILFCPYGD-UHFFFAOYSA-N -1 0 440.344 3.701 50 0 IHAARM CCOc1cc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc(OCC)c1OCC ZINC000001156224 568663832 /nfs/dbraw/zinc/66/38/32/568663832.db2.gz CZSNPNJNVKPEEZ-UHFFFAOYSA-N -1 0 432.498 3.708 50 0 IHAARM CC(C)(C)OC(=O)NCCC(=O)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000001750388 568738447 /nfs/dbraw/zinc/73/84/47/568738447.db2.gz XNHRQQRPPJNDKJ-UHFFFAOYSA-N -1 0 425.437 3.986 50 0 biogenic IHAARM O=C([N-]S(=O)(=O)Oc1ccccc1)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000003624518 568751712 /nfs/dbraw/zinc/75/17/12/568751712.db2.gz JRELEPMSRGSIJB-UHFFFAOYSA-N -1 0 438.387 3.608 50 0 IHAARM CCCCCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[n-]c1=S ZINC000003631161 568752188 /nfs/dbraw/zinc/75/21/88/568752188.db2.gz SOCIRVRWXHKJPG-UHFFFAOYSA-N -1 0 425.510 3.908 50 0 IHAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720740 568811723 /nfs/dbraw/zinc/81/17/23/568811723.db2.gz XIDTYXNZCVLPKV-UHFFFAOYSA-N -1 0 447.925 3.702 50 0 IHAARM C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238924028 568910226 /nfs/dbraw/zinc/91/02/26/568910226.db2.gz QKRZEZBFCPKTNX-IHRRRGAJSA-N -1 0 447.915 3.710 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3OC)cc2)c1 ZINC000089434918 568924834 /nfs/dbraw/zinc/92/48/34/568924834.db2.gz KTLFNIIZWAFGCF-UHFFFAOYSA-N -1 0 442.493 3.766 50 0 IHAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000035829451 568927967 /nfs/dbraw/zinc/92/79/67/568927967.db2.gz WBZLSZXBEALTBH-ZDLGFXPLSA-N -1 0 426.835 3.772 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000064774864 568954189 /nfs/dbraw/zinc/95/41/89/568954189.db2.gz GBDITCLQPRXIHB-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(c3nc4ccccc4o3)CC2)c2ccccc21 ZINC000036365509 569086854 /nfs/dbraw/zinc/08/68/54/569086854.db2.gz FERGWYADQVTCRH-JOCHJYFZSA-N -1 0 433.464 3.872 50 0 IHAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1 ZINC000065098835 569104434 /nfs/dbraw/zinc/10/44/34/569104434.db2.gz BZMSPHBLIVGUTN-UHFFFAOYSA-N -1 0 446.554 3.958 50 0 IHAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc4onc(C(=O)N5CCCC5)c4c3)sc2c1 ZINC000065115199 569106706 /nfs/dbraw/zinc/10/67/06/569106706.db2.gz YRZUKTCHLSGALD-UHFFFAOYSA-N -1 0 442.522 3.783 50 0 IHAARM Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000065116765 569107527 /nfs/dbraw/zinc/10/75/27/569107527.db2.gz ISRBLBBPFLHRLD-UHFFFAOYSA-N -1 0 432.527 3.533 50 0 IHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3C)cn2C)sc1C(=O)N1CCCC1 ZINC000065137405 569110442 /nfs/dbraw/zinc/11/04/42/569110442.db2.gz NSJYCZSVUYDLKF-UHFFFAOYSA-N -1 0 444.582 3.802 50 0 IHAARM COc1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)c1 ZINC000065138128 569110514 /nfs/dbraw/zinc/11/05/14/569110514.db2.gz XQRKJTOCGWBQKD-UHFFFAOYSA-N -1 0 435.509 3.756 50 0 IHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2)o1 ZINC000065194053 569114780 /nfs/dbraw/zinc/11/47/80/569114780.db2.gz YDTZXBYHALBKNI-UHFFFAOYSA-N -1 0 425.308 3.564 50 0 IHAARM CCOc1ccc(-c2noc(-c3c([O-])c4cnn(Cc5ccccc5)c4[nH]c3=O)n2)cc1 ZINC000065256926 569123341 /nfs/dbraw/zinc/12/33/41/569123341.db2.gz RUSAJWAKIRBHPP-UHFFFAOYSA-N -1 0 429.436 3.594 50 0 IHAARM Cc1ccccc1OCC(=O)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260904 569124133 /nfs/dbraw/zinc/12/41/33/569124133.db2.gz FRJCFTVVQMOCCL-UHFFFAOYSA-N -1 0 448.910 3.615 50 0 IHAARM Cc1ccc(CNC(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)cc1 ZINC000065260914 569124247 /nfs/dbraw/zinc/12/42/47/569124247.db2.gz CTORPLBWBNTKGP-UHFFFAOYSA-N -1 0 447.926 3.919 50 0 IHAARM O=C(N[C@H](c1nnn[n-]1)c1cc(F)ccc1F)c1csc(-c2cccc(Cl)c2)n1 ZINC000065552476 569139746 /nfs/dbraw/zinc/13/97/46/569139746.db2.gz NCOOGLAYUUNVPC-HNNXBMFYSA-N -1 0 432.843 3.774 50 0 IHAARM COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CCCC(=O)[O-])c(OC)c1 ZINC000170614110 569146289 /nfs/dbraw/zinc/14/62/89/569146289.db2.gz REXRGQQXAZHGPM-IBGZPJMESA-N -1 0 426.469 3.645 50 0 IHAARM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2nccn2-c2ccccc2)cc1Br ZINC000170617369 569147114 /nfs/dbraw/zinc/14/71/14/569147114.db2.gz IXJFYXVRZLKXIG-UHFFFAOYSA-N -1 0 449.330 3.702 50 0 IHAARM CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2c2nc(O)c(CC(=O)[O-])s2)cc1 ZINC000252492350 569187847 /nfs/dbraw/zinc/18/78/47/569187847.db2.gz MJQAFDCFWMUFLY-PMACEKPBSA-N -1 0 437.521 3.881 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@@]12C ZINC000257358868 569263823 /nfs/dbraw/zinc/26/38/23/569263823.db2.gz WVULKSPCQVQLCU-NWPWQZJGSA-N -1 0 449.632 3.594 50 0 IHAARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1coc2ccccc2c1=O ZINC000253402999 569265016 /nfs/dbraw/zinc/26/50/16/569265016.db2.gz GVWQHIHWRSFMGE-CYBMUJFWSA-N -1 0 432.384 3.557 50 0 biogenic IHAARM COc1ccc(NC(=O)C[C@@H](c2ccc(OC)c(O)c2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470710 569282418 /nfs/dbraw/zinc/28/24/18/569282418.db2.gz AJOSWSXQISZEED-KRWDZBQOSA-N -1 0 425.437 3.537 50 0 IHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000002662746 569416242 /nfs/dbraw/zinc/41/62/42/569416242.db2.gz QIUIVOQEJMALGG-UHFFFAOYSA-N -1 0 449.381 3.969 50 0 IHAARM Clc1ccccc1Cn1ccc([N-]c2nnc(Cc3ccc(-n4cnnn4)cc3)s2)n1 ZINC000002731495 569419401 /nfs/dbraw/zinc/41/94/01/569419401.db2.gz KXRKAJLTANYQAI-UHFFFAOYSA-N -1 0 449.931 3.746 50 0 IHAARM C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000028743196 569419837 /nfs/dbraw/zinc/41/98/37/569419837.db2.gz ZYRKFDMLOIIITH-SNVBAGLBSA-N -1 0 437.295 3.817 50 0 IHAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2[n-]c1=S ZINC000003051756 569439282 /nfs/dbraw/zinc/43/92/82/569439282.db2.gz JGGSWVYGMWSVLJ-UHFFFAOYSA-N -1 0 443.528 3.945 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)nc(C)n1 ZINC000003230785 569442328 /nfs/dbraw/zinc/44/23/28/569442328.db2.gz AOPXBQOPXYJKOH-UHFFFAOYSA-N -1 0 428.539 3.697 50 0 IHAARM CCOC(=O)c1cc(C(=O)c2cc(F)ccc2[O-])cn2c(=O)c3c(C)c(C)sc3nc12 ZINC000003339749 569446765 /nfs/dbraw/zinc/44/67/65/569446765.db2.gz OMUQRJSXGFQSLW-UHFFFAOYSA-N -1 0 440.452 3.778 50 0 IHAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)NCc4ccccc4)cc3[n-]c2=S)cc1 ZINC000003630330 569455233 /nfs/dbraw/zinc/45/52/33/569455233.db2.gz WCGFKYMFCFVUIN-UHFFFAOYSA-N -1 0 431.517 3.672 50 0 IHAARM COc1ccccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630449 569455308 /nfs/dbraw/zinc/45/53/08/569455308.db2.gz CTLULZXGXYSMPP-UHFFFAOYSA-N -1 0 431.517 3.672 50 0 IHAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@@H]2CCCO2)c3=O)cc1Cl ZINC000003631977 569455385 /nfs/dbraw/zinc/45/53/85/569455385.db2.gz ATEWMRCMWKQFKU-AWEZNQCLSA-N -1 0 445.928 3.779 50 0 IHAARM CSc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000008710303 569470859 /nfs/dbraw/zinc/47/08/59/569470859.db2.gz QRSJOAJZVHQLRG-UHFFFAOYSA-N -1 0 434.930 3.905 50 0 IHAARM O=C([N-]S(=O)(=O)Oc1ccccc1Cl)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000008867256 569480238 /nfs/dbraw/zinc/48/02/38/569480238.db2.gz SAQQGLRCVUPMQL-UHFFFAOYSA-N -1 0 427.212 3.953 50 0 IHAARM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)c[nH]1)N1CCCC1 ZINC000040074748 569486331 /nfs/dbraw/zinc/48/63/31/569486331.db2.gz OLVMBIBGKUEMLA-UHFFFAOYSA-N -1 0 436.537 3.746 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1 ZINC000040450575 569506371 /nfs/dbraw/zinc/50/63/71/569506371.db2.gz SBGWOOGBDVRRAZ-NSHDSACASA-N -1 0 439.331 3.556 50 0 IHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(Nc3nnc(C)c4ccccc43)cc2)s1 ZINC000009246602 569515421 /nfs/dbraw/zinc/51/54/21/569515421.db2.gz PKPVBYWTYPROPI-UHFFFAOYSA-N -1 0 426.527 3.897 50 0 IHAARM COc1ccc(NC(=O)c2cnc(C)cn2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009441842 569535440 /nfs/dbraw/zinc/53/54/40/569535440.db2.gz OIJPFWCZHOHVHY-UHFFFAOYSA-N -1 0 432.889 3.500 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)c1 ZINC000009529584 569544889 /nfs/dbraw/zinc/54/48/89/569544889.db2.gz BUJNUEVBSHSEGW-UHFFFAOYSA-N -1 0 440.525 3.562 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)on1 ZINC000009637530 569554766 /nfs/dbraw/zinc/55/47/66/569554766.db2.gz LJIZYRSWYGFWJS-UHFFFAOYSA-N -1 0 436.873 3.981 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)on1 ZINC000009637535 569554776 /nfs/dbraw/zinc/55/47/76/569554776.db2.gz VPVWZUHTMQWQRK-UHFFFAOYSA-N -1 0 436.873 3.981 50 0 IHAARM O=C1N[C@H](c2ccc(Br)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000009637509 569554791 /nfs/dbraw/zinc/55/47/91/569554791.db2.gz CELBTHLFXVNITK-LALPHHSUSA-N -1 0 449.248 3.615 50 0 IHAARM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009668839 569557989 /nfs/dbraw/zinc/55/79/89/569557989.db2.gz JTMUIBRYJJNNCE-MRXNPFEDSA-N -1 0 447.538 3.749 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)[n-]c1=O ZINC000021882692 519713367 /nfs/dbraw/zinc/71/33/67/519713367.db2.gz GTZRYAZYPUSLIB-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C)[n-]c1=O ZINC000021882661 519713730 /nfs/dbraw/zinc/71/37/30/519713730.db2.gz LIWYLEIPZLLROY-AWEZNQCLSA-N -1 0 437.525 3.939 50 0 IHAARM CCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012411272 520417063 /nfs/dbraw/zinc/41/70/63/520417063.db2.gz WIPYLOAVCGRUGD-QGZVFWFLSA-N -1 0 442.331 3.732 50 0 IHAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000012407580 520958210 /nfs/dbraw/zinc/95/82/10/520958210.db2.gz BMSREMXKTWEQPT-JOCHJYFZSA-N -1 0 437.496 3.647 50 0 IHAARM CCN(c1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000012525944 521497637 /nfs/dbraw/zinc/49/76/37/521497637.db2.gz BOGNLQJYJUZEOS-UHFFFAOYSA-N -1 0 434.514 3.842 50 0 IHAARM CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000012891059 521964870 /nfs/dbraw/zinc/96/48/70/521964870.db2.gz LBFDNUQRUTVLLN-UZQPLGKSSA-N -1 0 426.513 3.860 50 0 biogenic IHAARM CCc1nc2sc([C@@H](c3ccccc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854689 522536693 /nfs/dbraw/zinc/53/66/93/522536693.db2.gz WSHGICQRJHTJQN-OAQYLSRUSA-N -1 0 433.581 3.966 50 0 IHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5OC)oc4C)c=3c2=O)cc1 ZINC000020989083 523963991 /nfs/dbraw/zinc/96/39/91/523963991.db2.gz OBSDLCTURUGAAK-LEWJYISDSA-N -1 0 445.479 3.714 50 0 IHAARM COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)cc1OC ZINC000021931873 524652501 /nfs/dbraw/zinc/65/25/01/524652501.db2.gz SKOIRQRRLQYWLE-UHFFFAOYSA-N -1 0 441.509 3.769 50 0 IHAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2nc(N3CCCC3)sc2c1 ZINC000012652166 524674221 /nfs/dbraw/zinc/67/42/21/524674221.db2.gz UKQVMJKOSXUJJE-UHFFFAOYSA-N -1 0 446.554 3.664 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccc(F)c3)ccc2OC)cc1 ZINC000012763197 524688570 /nfs/dbraw/zinc/68/85/70/524688570.db2.gz GQYMEPKUPPFQIE-UHFFFAOYSA-N -1 0 444.484 3.825 50 0 IHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012926807 526318035 /nfs/dbraw/zinc/31/80/35/526318035.db2.gz SDWGBSQMFXTECB-MSOLQXFVSA-N -1 0 434.901 3.746 50 0 IHAARM [O-]c1c([C@@H](c2cccc(F)c2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022609604 526330788 /nfs/dbraw/zinc/33/07/88/526330788.db2.gz JCXYSPQGUMALGI-GOSISDBHSA-N -1 0 427.480 3.686 50 0 IHAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022626905 527205523 /nfs/dbraw/zinc/20/55/23/527205523.db2.gz UCTXFDJNXMOUMU-LJQANCHMSA-N -1 0 441.507 3.995 50 0 IHAARM O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000021143544 527222972 /nfs/dbraw/zinc/22/29/72/527222972.db2.gz GJSFXTIMDVKGHP-UHFFFAOYSA-N -1 0 440.500 3.874 50 0 IHAARM O=C([O-])C1(Cc2ccccc2Br)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034936179 527555375 /nfs/dbraw/zinc/55/53/75/527555375.db2.gz SOVFJDTYKOGFLD-UHFFFAOYSA-N -1 0 438.343 3.547 50 0 IHAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000000871634 555575602 /nfs/dbraw/zinc/57/56/02/555575602.db2.gz ZNLPSZCGVVWDMT-UHFFFAOYSA-N -1 0 425.528 3.622 50 0 IHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000000883485 555578359 /nfs/dbraw/zinc/57/83/59/555578359.db2.gz QTAMSELLVPPHNU-IBGZPJMESA-N -1 0 426.469 3.645 50 0 IHAARM CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)[O-] ZINC000002379494 555773945 /nfs/dbraw/zinc/77/39/45/555773945.db2.gz IHRMIKPTDYFJCL-HXUWFJFHSA-N -1 0 438.480 3.899 50 0 IHAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000002828965 555831642 /nfs/dbraw/zinc/83/16/42/555831642.db2.gz SJWBQWLPKMFBKI-PLJYQOKSSA-N -1 0 428.488 3.578 50 0 IHAARM O=C(CCc1nnc(-c2ccc(C(F)(F)F)cc2)[n-]c1=O)N1CCc2ccccc2C1 ZINC000034768140 555907404 /nfs/dbraw/zinc/90/74/04/555907404.db2.gz FQPNXEFQOZPNPH-UHFFFAOYSA-N -1 0 428.414 3.781 50 0 IHAARM O=C1N[C@H](c2cccc(Br)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000004018788 555953148 /nfs/dbraw/zinc/95/31/48/555953148.db2.gz FXQFDOMPUROYRM-JMSVASOKSA-N -1 0 449.248 3.615 50 0 IHAARM Cc1sc2c(c1C)C([O-])=C(C(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)N2C ZINC000004481646 555997004 /nfs/dbraw/zinc/99/70/04/555997004.db2.gz GLDMHLCJBKTLNB-UHFFFAOYSA-N -1 0 448.444 3.908 50 0 IHAARM O=C([O-])c1cc2nc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)[nH]c-2cc1=O ZINC000004486590 555997121 /nfs/dbraw/zinc/99/71/21/555997121.db2.gz RLCKAPCULBQPBG-UHFFFAOYSA-N -1 0 430.372 3.825 50 0 IHAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000002804678 556142980 /nfs/dbraw/zinc/14/29/80/556142980.db2.gz YCSBLJCHBLJUAK-UHFFFAOYSA-N -1 0 433.843 3.733 50 0 IHAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cc(OC)ccc2OC)sc2c1CCCC2 ZINC000008397796 556164607 /nfs/dbraw/zinc/16/46/07/556164607.db2.gz FHGYAVKUKMXTDT-UHFFFAOYSA-N -1 0 425.528 3.622 50 0 IHAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3cccc(Br)c3)n2)cc1 ZINC000008444948 556179214 /nfs/dbraw/zinc/17/92/14/556179214.db2.gz AKEAXNWOWJEQRK-QPJJXVBHSA-N -1 0 431.315 3.793 50 0 IHAARM CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000008451893 556182408 /nfs/dbraw/zinc/18/24/08/556182408.db2.gz GHZGMBGVSOJGCI-MHWRWJLKSA-N -1 0 445.269 3.639 50 0 IHAARM Cc1[n-]n2c(nc(CSc3nnnn3-c3ccccc3)cc2=O)c1-c1ccc(F)cc1 ZINC000009135025 556249271 /nfs/dbraw/zinc/24/92/71/556249271.db2.gz NECFQOJWLPUBEH-UHFFFAOYSA-N -1 0 433.472 3.817 50 0 IHAARM O=C([O-])c1cccc(COc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000009271618 556271063 /nfs/dbraw/zinc/27/10/63/556271063.db2.gz SHFPZAOOSSWHCY-BKUYFWCQSA-N -1 0 428.469 3.734 50 0 IHAARM CCSc1ncc(Br)c(C(=O)[N-]c2nonc2-c2ccc(OC)cc2)n1 ZINC000009410274 556288118 /nfs/dbraw/zinc/28/81/18/556288118.db2.gz LIKVDSJBDOZMNI-UHFFFAOYSA-N -1 0 436.291 3.662 50 0 IHAARM CCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009696430 556306723 /nfs/dbraw/zinc/30/67/23/556306723.db2.gz ZJVNXUTYBUNGAK-UHFFFAOYSA-N -1 0 447.538 3.612 50 0 IHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000011767247 556349782 /nfs/dbraw/zinc/34/97/82/556349782.db2.gz FEHOYYCHUGPMJK-DEOSSOPVSA-N -1 0 443.547 3.799 50 0 IHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000030517402 556496243 /nfs/dbraw/zinc/49/62/43/556496243.db2.gz QJFRDXQYNANDED-AWEZNQCLSA-N -1 0 432.489 3.892 50 0 IHAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000013522237 556512074 /nfs/dbraw/zinc/51/20/74/556512074.db2.gz QWXQFSIDQVVDLW-UHFFFAOYSA-N -1 0 443.706 3.936 50 0 IHAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-] ZINC000013629244 556538601 /nfs/dbraw/zinc/53/86/01/556538601.db2.gz WGPMCSNYNDGCAT-GOSISDBHSA-N -1 0 427.497 3.651 50 0 IHAARM COc1ccc(NC(=O)[C@@H]2CCCO2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015900379 556562268 /nfs/dbraw/zinc/56/22/68/556562268.db2.gz GMMRLUNUJYKVLF-KRWDZBQOSA-N -1 0 445.324 3.920 50 0 IHAARM O=S(=O)([N-]c1ccc(I)cc1)c1ccccc1Br ZINC000016125348 556584648 /nfs/dbraw/zinc/58/46/48/556584648.db2.gz YZVRKJITKZSQFP-UHFFFAOYSA-N -1 0 438.084 3.855 50 0 IHAARM O=C([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000032971236 556588552 /nfs/dbraw/zinc/58/85/52/556588552.db2.gz ZUKHZCVDZLUAJB-MRXNPFEDSA-N -1 0 449.598 3.559 50 0 IHAARM O=C(/C=C/c1ccccc1)NC(=O)c1cc(Br)cc(Br)c1[O-] ZINC000016667274 556621625 /nfs/dbraw/zinc/62/16/25/556621625.db2.gz QAMMZVKUQGAFSX-VOTSOKGWSA-N -1 0 425.076 3.887 50 0 IHAARM O=C([O-])c1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000033007127 556655916 /nfs/dbraw/zinc/65/59/16/556655916.db2.gz VFLIJGQMEYZKIW-UHFFFAOYSA-N -1 0 425.304 3.548 50 0 IHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](C(=O)[O-])C(C)C)oc1c3CCCC1 ZINC000011865478 556665220 /nfs/dbraw/zinc/66/52/20/556665220.db2.gz SKUPYTZNAJAAGN-JOCHJYFZSA-N -1 0 425.481 3.884 50 0 IHAARM C[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000017100868 556665967 /nfs/dbraw/zinc/66/59/67/556665967.db2.gz RBKVUBIGDCPGIC-NSHDSACASA-N -1 0 436.917 3.818 50 0 IHAARM O=C1N(CCc2ccccc2)C(c2ccccc2)=N[C@@]1([N-]c1ncccn1)C(F)(F)F ZINC000044903817 556679223 /nfs/dbraw/zinc/67/92/23/556679223.db2.gz IWXJNDKGMMYMJD-NRFANRHFSA-N -1 0 425.414 3.679 50 0 IHAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)cc(OC)c1O ZINC000061720640 556727983 /nfs/dbraw/zinc/72/79/83/556727983.db2.gz UZGUALKLKMLYFH-CQSZACIVSA-N -1 0 444.390 3.651 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000097940895 556810786 /nfs/dbraw/zinc/81/07/86/556810786.db2.gz GAIZNMGVVZRLAD-UHFFFAOYSA-N -1 0 432.477 3.544 50 0 IHAARM COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)[O-])sc3c2CCC3)c1 ZINC000019644662 556839457 /nfs/dbraw/zinc/83/94/57/556839457.db2.gz PPPQPAVWLQXOFR-LBPRGKRZSA-N -1 0 446.525 3.946 50 0 IHAARM CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253802 556893824 /nfs/dbraw/zinc/89/38/24/556893824.db2.gz HCNDOMSRPJKNKS-UHFFFAOYSA-N -1 0 442.541 3.737 50 0 IHAARM Cc1cc2nc(COc3ccc(Cl)cc3[N-]S(=O)(=O)c3ccccc3)cc(=O)n2o1 ZINC000046047997 557026107 /nfs/dbraw/zinc/02/61/07/557026107.db2.gz UZDXSKPNQWBCIE-UHFFFAOYSA-N -1 0 445.884 3.629 50 0 IHAARM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000033298877 557074864 /nfs/dbraw/zinc/07/48/64/557074864.db2.gz YEZDGMYOYOBFAN-UHFFFAOYSA-N -1 0 434.923 3.683 50 0 IHAARM O=C([O-])c1cccc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc21 ZINC000585141346 557084663 /nfs/dbraw/zinc/08/46/63/557084663.db2.gz TVJPOHSEGKNADC-CCKFTAQKSA-N -1 0 425.510 3.956 50 0 IHAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccccc3C)cn2CC(=O)N2CCCC2)n1 ZINC000033307544 557086531 /nfs/dbraw/zinc/08/65/31/557086531.db2.gz UOCKADGXIZTFAS-UHFFFAOYSA-N -1 0 444.582 3.652 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(C)cs2)cc1OC ZINC000024924897 557179348 /nfs/dbraw/zinc/17/93/48/557179348.db2.gz WZVOKIQCYSOPAN-UHFFFAOYSA-N -1 0 433.511 3.522 50 0 IHAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000009306044 557186038 /nfs/dbraw/zinc/18/60/38/557186038.db2.gz ZQPZNOVEYWVXMU-AWEZNQCLSA-N -1 0 426.498 3.867 50 0 IHAARM CC(=O)c1ccc(N2C(=O)C[C@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000100134597 557241874 /nfs/dbraw/zinc/24/18/74/557241874.db2.gz OAJJODLOIRSKKQ-MRXNPFEDSA-N -1 0 446.488 3.746 50 0 IHAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)c1Cl ZINC000026549105 557244530 /nfs/dbraw/zinc/24/45/30/557244530.db2.gz JXBXPSGONQNIOY-UHFFFAOYSA-N -1 0 431.341 3.878 50 0 IHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000101444106 557292720 /nfs/dbraw/zinc/29/27/20/557292720.db2.gz BFUSESJTNXFNBQ-INIZCTEOSA-N -1 0 432.505 3.581 50 0 IHAARM Cc1oc(-c2ccc(Cl)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102479070 557340249 /nfs/dbraw/zinc/34/02/49/557340249.db2.gz PKPIKZQNILOOGZ-ZWKOTPCHSA-N -1 0 439.834 3.936 50 0 IHAARM CC(=O)C(=C([O-])c1ccccc1)C(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F ZINC000100230008 557375669 /nfs/dbraw/zinc/37/56/69/557375669.db2.gz DFPUEKSLYMPTEK-CQSZACIVSA-N -1 0 432.320 3.763 50 0 IHAARM CCOC(=O)C(=C(O)CSc1nnc2sc3ccccc3n12)c1nc(C)cs1 ZINC000103034762 557416024 /nfs/dbraw/zinc/41/60/24/557416024.db2.gz PHLMOYVURVJQHY-AWEZNQCLSA-N -1 0 432.552 3.717 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)ccc1Br ZINC000045961569 557555354 /nfs/dbraw/zinc/55/53/54/557555354.db2.gz SMUQFZAEYPRKAJ-UHFFFAOYSA-N -1 0 429.361 3.856 50 0 IHAARM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)C(C)C)cc2)c1 ZINC000225525868 557736015 /nfs/dbraw/zinc/73/60/15/557736015.db2.gz AVMANCLPCKCFTO-UHFFFAOYSA-N -1 0 436.917 3.646 50 0 IHAARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000229953264 557834220 /nfs/dbraw/zinc/83/42/20/557834220.db2.gz RIWJAXKQAMZFDW-YTFSRNRJSA-N -1 0 430.460 3.842 50 0 IHAARM Cc1c(OCC(=O)N2CCC(C(=O)[O-])CC2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002114056 562925893 /nfs/dbraw/zinc/92/58/93/562925893.db2.gz VEZJYLMJOIHBAD-UHFFFAOYSA-N -1 0 449.503 3.703 50 0 biogenic IHAARM O=C([O-])CCC(=O)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000002628648 562928718 /nfs/dbraw/zinc/92/87/18/562928718.db2.gz JZXSFRCNOJRZLE-UHFFFAOYSA-N -1 0 428.286 3.783 50 0 IHAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000003234382 562933117 /nfs/dbraw/zinc/93/31/17/562933117.db2.gz PCLZLZBKHIVXBZ-UHFFFAOYSA-N -1 0 434.477 3.692 50 0 IHAARM CSCC[C@H](NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000008877317 562965552 /nfs/dbraw/zinc/96/55/52/562965552.db2.gz BNKMGIZLFZJVGR-HNNXBMFYSA-N -1 0 431.510 3.638 50 0 biogenic IHAARM O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1 ZINC000009335490 562969366 /nfs/dbraw/zinc/96/93/66/562969366.db2.gz FEVKOYDOEFRIDM-UHFFFAOYSA-N -1 0 426.475 3.551 50 0 IHAARM COc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000009463795 562971546 /nfs/dbraw/zinc/97/15/46/562971546.db2.gz IWQHNCCORUEHRN-BCGASZDZSA-N -1 0 436.508 3.627 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Br)cc1 ZINC000000958038 568645977 /nfs/dbraw/zinc/64/59/77/568645977.db2.gz MADAVWWQPMPYLY-UHFFFAOYSA-N -1 0 432.299 3.897 50 0 IHAARM Cc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000006142713 568845402 /nfs/dbraw/zinc/84/54/02/568845402.db2.gz RGWURXDMYMENPM-UHFFFAOYSA-N -1 0 425.510 3.989 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000015865409 568850147 /nfs/dbraw/zinc/85/01/47/568850147.db2.gz LOBHHLQSKATNNA-UHFFFAOYSA-N -1 0 435.505 3.691 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)c1 ZINC000015870315 568851785 /nfs/dbraw/zinc/85/17/85/568851785.db2.gz CJXQDEJVXCXWBO-UHFFFAOYSA-N -1 0 435.527 3.709 50 0 IHAARM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000169722874 568883800 /nfs/dbraw/zinc/88/38/00/568883800.db2.gz IETIWIXNTKKVMT-JLTOFOAXSA-N -1 0 440.496 3.892 50 0 IHAARM O=C([O-])C[C@H](CC(=O)NCC1CCN(C(=O)c2ccccc2F)CC1)c1cccs1 ZINC000090607352 568889884 /nfs/dbraw/zinc/88/98/84/568889884.db2.gz FKJRQPQDUOUXQZ-INIZCTEOSA-N -1 0 432.517 3.504 50 0 IHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1OC ZINC000064580443 568934298 /nfs/dbraw/zinc/93/42/98/568934298.db2.gz ZAGPLEAMKGLTOJ-UHFFFAOYSA-N -1 0 439.537 3.688 50 0 IHAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1 ZINC000027025311 568939269 /nfs/dbraw/zinc/93/92/69/568939269.db2.gz GZNJYXCGBKMZMY-UHFFFAOYSA-N -1 0 435.509 3.836 50 0 IHAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2F)[n-]c1=O ZINC000064774562 568953903 /nfs/dbraw/zinc/95/39/03/568953903.db2.gz YAZMMIPFRPYKGN-UHFFFAOYSA-N -1 0 441.488 3.709 50 0 IHAARM CCc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1 ZINC000064774689 568954197 /nfs/dbraw/zinc/95/41/97/568954197.db2.gz SAWYCRYUZUVTSI-ZDUSSCGKSA-N -1 0 437.525 3.884 50 0 IHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2F)[n-]c1=O ZINC000064774465 568954394 /nfs/dbraw/zinc/95/43/94/568954394.db2.gz PMRNZNRFLXKLGF-UHFFFAOYSA-N -1 0 441.488 3.689 50 0 IHAARM NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797747 568960380 /nfs/dbraw/zinc/96/03/80/568960380.db2.gz BPTWVLLMZJCHHP-HNNXBMFYSA-N -1 0 440.452 3.591 50 0 IHAARM CN1c2cc(F)ccc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2F)C1=O ZINC000036359091 569085536 /nfs/dbraw/zinc/08/55/36/569085536.db2.gz WCYBUYCONRWRNE-QFIPXVFZSA-N -1 0 440.427 3.996 50 0 IHAARM COc1cccc(NC(=O)C[C@H](c2ccc(OC)c(O)c2)c2c([O-])cc(C)oc2=O)c1 ZINC000253471635 569094848 /nfs/dbraw/zinc/09/48/48/569094848.db2.gz WLNWQFBTYJLYEM-QGZVFWFLSA-N -1 0 425.437 3.537 50 0 IHAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1 ZINC000065098921 569104411 /nfs/dbraw/zinc/10/44/11/569104411.db2.gz ZRENVKFVUBBROA-UHFFFAOYSA-N -1 0 446.554 3.842 50 0 IHAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)c1 ZINC000065098985 569105081 /nfs/dbraw/zinc/10/50/81/569105081.db2.gz VQTFJZPXZWVKSE-UHFFFAOYSA-N -1 0 446.554 3.787 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2OC)cc1 ZINC000065115962 569107040 /nfs/dbraw/zinc/10/70/40/569107040.db2.gz RCLSGWSTEOIAPM-UHFFFAOYSA-N -1 0 445.497 3.817 50 0 IHAARM CCOC(=O)c1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@@H](C)C4)c1 ZINC000065150490 569111085 /nfs/dbraw/zinc/11/10/85/569111085.db2.gz XQKQLWDPDLJFJC-LLVKDONJSA-N -1 0 426.494 3.849 50 0 IHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)o1 ZINC000065194114 569114769 /nfs/dbraw/zinc/11/47/69/569114769.db2.gz CVIGJEFPLUDFOQ-UHFFFAOYSA-N -1 0 430.408 3.700 50 0 IHAARM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246489 569121835 /nfs/dbraw/zinc/12/18/35/569121835.db2.gz BZPALLDYJOHWEZ-UHFFFAOYSA-N -1 0 444.513 3.625 50 0 IHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000170620206 569147886 /nfs/dbraw/zinc/14/78/86/569147886.db2.gz XQHJFELMXZHIHL-QGZVFWFLSA-N -1 0 446.257 3.900 50 0 IHAARM O=C([O-])c1cccc(COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000014011308 569157548 /nfs/dbraw/zinc/15/75/48/569157548.db2.gz SHFPZAOOSSWHCY-FYJGNVAPSA-N -1 0 428.469 3.734 50 0 IHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002097213 569179293 /nfs/dbraw/zinc/17/92/93/569179293.db2.gz PDGLCBLDBVYUDT-FQEVSTJZSA-N -1 0 449.459 3.525 50 0 biogenic IHAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002107274 569181184 /nfs/dbraw/zinc/18/11/84/569181184.db2.gz XTWOZEYHCOKHAC-GOSISDBHSA-N -1 0 425.481 3.947 50 0 biogenic IHAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc12 ZINC000002155896 569187563 /nfs/dbraw/zinc/18/75/63/569187563.db2.gz KWHODSGTNWCDHR-SFHVURJKSA-N -1 0 443.883 3.514 50 0 biogenic IHAARM CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCC(=O)[O-])c2ccccc12 ZINC000002193370 569190775 /nfs/dbraw/zinc/19/07/75/569190775.db2.gz CFCCBWYDTDBQCR-PGMHBOJBSA-N -1 0 432.476 3.600 50 0 IHAARM Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000170672682 569195183 /nfs/dbraw/zinc/19/51/83/569195183.db2.gz CXQLCRQLLWPDBY-UHFFFAOYSA-N -1 0 443.450 3.941 50 0 IHAARM O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009373606 569295971 /nfs/dbraw/zinc/29/59/71/569295971.db2.gz NQHAOAXIXCZCKM-BJMVGYQFSA-N -1 0 448.426 3.948 50 0 IHAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)c(F)cc1Cl ZINC000328595851 569317855 /nfs/dbraw/zinc/31/78/55/569317855.db2.gz GRVXLAZNRKWCJD-UHFFFAOYSA-N -1 0 438.868 3.550 50 0 IHAARM CS[C@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C1 ZINC000078814770 569319336 /nfs/dbraw/zinc/31/93/36/569319336.db2.gz ZUOSSOYNHKRFCR-OCCSQVGLSA-N -1 0 426.585 3.659 50 0 IHAARM Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)s1 ZINC000019644915 569325107 /nfs/dbraw/zinc/32/51/07/569325107.db2.gz LFKPGRILDNNERB-XZJROXQQSA-N -1 0 446.554 3.571 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N4CCc5ccccc5C4)c3=O)c2c1 ZINC000020330625 569360847 /nfs/dbraw/zinc/36/08/47/569360847.db2.gz JVYFHJWSAORXKR-UHFFFAOYSA-N -1 0 448.548 3.914 50 0 IHAARM Cc1cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000095456683 569368858 /nfs/dbraw/zinc/36/88/58/569368858.db2.gz JZPBVXKMBDAYGL-HNNXBMFYSA-N -1 0 441.475 3.607 50 0 IHAARM O=C([O-])C[C@@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000095464057 569370402 /nfs/dbraw/zinc/37/04/02/569370402.db2.gz OOECYMGIBKQSPK-OAHLLOKOSA-N -1 0 446.784 3.560 50 0 IHAARM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1)n1cccn1 ZINC000095468047 569371192 /nfs/dbraw/zinc/37/11/92/569371192.db2.gz HZWNGSYWFMPWJR-OAHLLOKOSA-N -1 0 437.481 3.539 50 0 IHAARM COc1ccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000095532088 569374674 /nfs/dbraw/zinc/37/46/74/569374674.db2.gz IDNXZOLYZGPHMM-NRFANRHFSA-N -1 0 426.469 3.645 50 0 IHAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@@H](c2cnn3cccnc23)CC(=O)O1 ZINC000096115714 569383503 /nfs/dbraw/zinc/38/35/03/569383503.db2.gz SGQHNJWAHJFAPT-CQSZACIVSA-N -1 0 425.400 3.649 50 0 biogenic IHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CCC4)o3)c2C)c1 ZINC000096379523 569398160 /nfs/dbraw/zinc/39/81/60/569398160.db2.gz ZYRPUMVOWHISAD-UHFFFAOYSA-N -1 0 432.502 3.767 50 0 IHAARM CCc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)c2)cc1 ZINC000021748579 569400609 /nfs/dbraw/zinc/40/06/09/569400609.db2.gz CYRLHQLQNZTOQK-UHFFFAOYSA-N -1 0 441.509 3.714 50 0 IHAARM Cc1cc(C)n(Cn2ccc(-c3nnc([N-]c4ccn(Cc5ccccc5)n4)s3)n2)n1 ZINC000002730667 569419201 /nfs/dbraw/zinc/41/92/01/569419201.db2.gz WTTXYFRWCWKNCH-UHFFFAOYSA-N -1 0 431.529 3.709 50 0 IHAARM CCn1ncc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1C ZINC000002804918 569422602 /nfs/dbraw/zinc/42/26/02/569422602.db2.gz IZNJNVHCXNDSRP-UHFFFAOYSA-N -1 0 425.917 3.666 50 0 IHAARM CC1CCC(NC(=O)CCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)CC1 ZINC000002973736 569433448 /nfs/dbraw/zinc/43/34/48/569433448.db2.gz YYNCTGWZJXNDAJ-UHFFFAOYSA-N -1 0 438.391 3.923 50 0 IHAARM O=C1N[C@H](c2cccc(C(F)(F)F)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000057531297 569439445 /nfs/dbraw/zinc/43/94/45/569439445.db2.gz WRFPKUKAJNLGHY-ZOWXZIJZSA-N -1 0 438.349 3.871 50 0 IHAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O)N1CCc2ccccc2C1 ZINC000003630009 569455260 /nfs/dbraw/zinc/45/52/60/569455260.db2.gz JTLDPYCWXIMVMI-UHFFFAOYSA-N -1 0 427.529 3.932 50 0 IHAARM O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000008824909 569477306 /nfs/dbraw/zinc/47/73/06/569477306.db2.gz WOGPPHBOKXXXBF-UHFFFAOYSA-N -1 0 430.526 3.740 50 0 IHAARM COc1ccccc1CCNC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1C ZINC000008978880 569493059 /nfs/dbraw/zinc/49/30/59/569493059.db2.gz KVLFISULVXJDDS-UHFFFAOYSA-N -1 0 445.566 3.542 50 0 IHAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(Br)cc2C[C@H]1C ZINC000040450726 569506443 /nfs/dbraw/zinc/50/64/43/569506443.db2.gz PVGCJPNJUUJGNE-SNVBAGLBSA-N -1 0 427.295 3.687 50 0 IHAARM CCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc2OCC(C)(C)C1=O ZINC000009166339 569508852 /nfs/dbraw/zinc/50/88/52/569508852.db2.gz ZWUQDKODQCBMAK-UHFFFAOYSA-N -1 0 432.542 3.884 50 0 IHAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)cc1Cl ZINC000009585191 569549513 /nfs/dbraw/zinc/54/95/13/569549513.db2.gz UCNWULGEPDYZOU-UHFFFAOYSA-N -1 0 440.949 3.852 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)cc1 ZINC000009828578 569569779 /nfs/dbraw/zinc/56/97/79/569569779.db2.gz VHCPSVAUYCRCBY-HNNXBMFYSA-N -1 0 427.551 3.773 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCC1CCCCC1 ZINC000009828546 569569792 /nfs/dbraw/zinc/56/97/92/569569792.db2.gz HTLYBHAEXCQREV-UHFFFAOYSA-N -1 0 427.979 3.836 50 0 IHAARM CCc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(OC)cc2)n1 ZINC000022735382 569584805 /nfs/dbraw/zinc/58/48/05/569584805.db2.gz MZODFAQVRSIPJT-UHFFFAOYSA-N -1 0 431.539 3.696 50 0 IHAARM CCn1c2ccccc2c2cc(NC(=O)Cc3csc([N-]S(C)(=O)=O)n3)ccc21 ZINC000029974960 569585018 /nfs/dbraw/zinc/58/50/18/569585018.db2.gz KENGMQURZRSBOA-UHFFFAOYSA-N -1 0 428.539 3.824 50 0 IHAARM O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cccs1 ZINC000009708667 132236940 /nfs/dbraw/zinc/23/69/40/132236940.db2.gz KOVIHBSLQLKCHS-UHFFFAOYSA-N -1 0 440.593 3.752 50 0 IHAARM O=C([O-])CN1C(=O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 ZINC000002379499 132253266 /nfs/dbraw/zinc/25/32/66/132253266.db2.gz DPMUPDRNDYUXBP-UHFFFAOYSA-N -1 0 428.444 3.873 50 0 IHAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCN(c2ccccc2)CC1 ZINC000009859277 132330283 /nfs/dbraw/zinc/33/02/83/132330283.db2.gz BHXPUQJYRBCFRL-UHFFFAOYSA-N -1 0 427.551 3.511 50 0 IHAARM CCCCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC)cc2)c1 ZINC000012508130 520754938 /nfs/dbraw/zinc/75/49/38/520754938.db2.gz WWDZEMSIJQDRST-UHFFFAOYSA-N -1 0 448.585 3.995 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000012557270 520865405 /nfs/dbraw/zinc/86/54/05/520865405.db2.gz XFOLYCFIVZRNFR-UHFFFAOYSA-N -1 0 439.331 3.541 50 0 IHAARM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000012525976 522243323 /nfs/dbraw/zinc/24/33/23/522243323.db2.gz VKACZHRTRTVNLV-UHFFFAOYSA-N -1 0 449.120 3.799 50 0 IHAARM COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c(C(=O)OC)c1C ZINC000012549265 522427687 /nfs/dbraw/zinc/42/76/87/522427687.db2.gz XRBAKOZSIUDCKU-UHFFFAOYSA-N -1 0 438.310 3.737 50 0 IHAARM COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000012471409 523383859 /nfs/dbraw/zinc/38/38/59/523383859.db2.gz OMTWNXNNJILUQF-JCMHNJIXSA-N -1 0 446.459 3.812 50 0 biogenic IHAARM COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000012382139 523618578 /nfs/dbraw/zinc/61/85/78/523618578.db2.gz MPZONDYNWUDGDA-UMSHPIDHSA-N -1 0 444.915 3.735 50 0 IHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000017026593 523850767 /nfs/dbraw/zinc/85/07/67/523850767.db2.gz ZGPDWILHVFLEDV-UHFFFAOYSA-N -1 0 426.494 3.990 50 0 IHAARM CN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022798440 523917773 /nfs/dbraw/zinc/91/77/73/523917773.db2.gz LIPMSUGRAFRPRI-MRXNPFEDSA-N -1 0 429.933 3.747 50 0 IHAARM COc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020726397 524560203 /nfs/dbraw/zinc/56/02/03/524560203.db2.gz DOPDHKQPUHHUAH-HXUWFJFHSA-N -1 0 444.329 3.887 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1C ZINC000012750525 524640643 /nfs/dbraw/zinc/64/06/43/524640643.db2.gz IHRXLIXDUIKOSN-UHFFFAOYSA-N -1 0 436.493 3.933 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1 ZINC000012532549 524646706 /nfs/dbraw/zinc/64/67/06/524646706.db2.gz YYRPVGMPQDPXBH-UHFFFAOYSA-N -1 0 425.510 3.814 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccccc2OC)cc1 ZINC000012769823 525090531 /nfs/dbraw/zinc/09/05/31/525090531.db2.gz GKAHRYZBWCSQNV-UHFFFAOYSA-N -1 0 440.521 3.777 50 0 IHAARM CSC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000011865409 525644487 /nfs/dbraw/zinc/64/44/87/525644487.db2.gz KDMARFWNPXDZSG-QGZVFWFLSA-N -1 0 443.521 3.591 50 0 IHAARM C[C@@]1(c2ccccc2)C[C@H](Nc2ccc(I)cc2C(=O)[O-])C(=O)O1 ZINC000012402140 525903204 /nfs/dbraw/zinc/90/32/04/525903204.db2.gz BUPYJCMKAHHTOT-YJBOKZPZSA-N -1 0 437.233 3.632 50 0 biogenic,in-vitro IHAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 ZINC000022609736 526331752 /nfs/dbraw/zinc/33/17/52/526331752.db2.gz QUYLHFQXSQEENZ-GOSISDBHSA-N -1 0 427.480 3.686 50 0 IHAARM Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c12 ZINC000022321996 526677185 /nfs/dbraw/zinc/67/71/85/526677185.db2.gz HENJMKYSCWQXGA-UHFFFAOYSA-N -1 0 431.477 3.768 50 0 IHAARM Cc1nc2sc([C@H](c3ccccc3F)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627161 527206398 /nfs/dbraw/zinc/20/63/98/527206398.db2.gz ZVCUNTQOUIXAFF-IBGZPJMESA-N -1 0 441.507 3.995 50 0 IHAARM Cc1nc2sc([C@H](c3ccccc3F)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627225 527206420 /nfs/dbraw/zinc/20/64/20/527206420.db2.gz XCVNCCLGDYWGEG-IBGZPJMESA-N -1 0 441.507 3.995 50 0 IHAARM O=C([O-])C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000017096419 527544075 /nfs/dbraw/zinc/54/40/75/527544075.db2.gz QUOGQDKKCBZNRD-CCEZHUSRSA-N -1 0 429.428 3.973 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)n1 ZINC000000677071 555535399 /nfs/dbraw/zinc/53/53/99/555535399.db2.gz KTJDSZLDRUZUKR-UHFFFAOYSA-N -1 0 440.525 3.529 50 0 IHAARM CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12 ZINC000000716552 555548800 /nfs/dbraw/zinc/54/88/00/555548800.db2.gz WFUPUDMUCATRAO-KWMZMRFFSA-N -1 0 437.451 3.525 50 0 IHAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001214192 555683376 /nfs/dbraw/zinc/68/33/76/555683376.db2.gz YUOAKYRBFXXEQI-UHFFFAOYSA-N -1 0 440.525 3.836 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000001220963 555686004 /nfs/dbraw/zinc/68/60/04/555686004.db2.gz ZUUITSHWOUYTIC-IYZJKTGWSA-N -1 0 429.859 3.975 50 0 IHAARM O=C([O-])c1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000001232190 555686835 /nfs/dbraw/zinc/68/68/35/555686835.db2.gz DUZVCSGZLCPXQU-OAHLLOKOSA-N -1 0 446.743 3.798 50 0 IHAARM O=C([O-])c1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000001232191 555686892 /nfs/dbraw/zinc/68/68/92/555686892.db2.gz DUZVCSGZLCPXQU-HNNXBMFYSA-N -1 0 446.743 3.798 50 0 IHAARM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000001778311 555714316 /nfs/dbraw/zinc/71/43/16/555714316.db2.gz KTWACRQGRBGHOR-UHFFFAOYSA-N -1 0 447.538 3.750 50 0 IHAARM CC(=O)NCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002517146 555785627 /nfs/dbraw/zinc/78/56/27/555785627.db2.gz HJXCJYNKTHOYRD-HXUWFJFHSA-N -1 0 442.537 3.584 50 0 IHAARM Cc1cc2nc3s/c(=C\c4ccc(-c5ccc(O)c(C(=O)[O-])c5)o4)c(=O)n3c2cc1C ZINC000002915532 555862821 /nfs/dbraw/zinc/86/28/21/555862821.db2.gz AAJKSYAGLRUZJI-JMIUGGIZSA-N -1 0 432.457 3.738 50 0 IHAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c=2c1=O ZINC000002786935 556138811 /nfs/dbraw/zinc/13/88/11/556138811.db2.gz CJBHGYLPCXQRCN-AEFFLSMTSA-N -1 0 446.294 3.542 50 0 IHAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CC=C(c2ccccc2)CC1 ZINC000002975222 556153243 /nfs/dbraw/zinc/15/32/43/556153243.db2.gz KCGOMWQWUAJJLG-UHFFFAOYSA-N -1 0 449.532 3.884 50 0 IHAARM CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000002989338 556155769 /nfs/dbraw/zinc/15/57/69/556155769.db2.gz XYSBXWHOPFBPGQ-NVNXTCNLSA-N -1 0 435.841 3.898 50 0 IHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)s1 ZINC000008684759 556200006 /nfs/dbraw/zinc/20/00/06/556200006.db2.gz FKYUBIKWLKNKBV-UHFFFAOYSA-N -1 0 437.547 3.849 50 0 IHAARM O=C(NCc1cccnc1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013692652 556282352 /nfs/dbraw/zinc/28/23/52/556282352.db2.gz HQVWCZQEPIABPI-UHFFFAOYSA-N -1 0 442.497 3.561 50 0 IHAARM CCOc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)ccc1OCC(=O)[O-] ZINC000009601794 556302740 /nfs/dbraw/zinc/30/27/40/556302740.db2.gz RWEUXLOFZVERJU-LJQANCHMSA-N -1 0 440.481 3.626 50 0 IHAARM CCc1cc2oc(=O)cc(COC(=O)c3ccccc3[N-]S(C)(=O)=O)c2cc1Cl ZINC000032738656 556308559 /nfs/dbraw/zinc/30/85/59/556308559.db2.gz AHUYWRIINXAJSY-UHFFFAOYSA-N -1 0 435.885 3.737 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)s1 ZINC000032717120 556508135 /nfs/dbraw/zinc/50/81/35/556508135.db2.gz LTNCYPNZYDDYMZ-UHFFFAOYSA-N -1 0 428.601 3.730 50 0 IHAARM Cc1nc2c3ccccc3nc(SCc3cc(=O)[nH]c4sc(C(=O)[O-])c(C)c43)n2n1 ZINC000032883716 556509549 /nfs/dbraw/zinc/50/95/49/556509549.db2.gz ZXJRZCSOABBVBF-UHFFFAOYSA-N -1 0 437.506 3.788 50 0 IHAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000013566840 556520319 /nfs/dbraw/zinc/52/03/19/556520319.db2.gz BEQKPYZNPYHWJV-UHFFFAOYSA-N -1 0 446.550 3.539 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000016447480 556607751 /nfs/dbraw/zinc/60/77/51/556607751.db2.gz PEYJVTXQIWXQAO-UHFFFAOYSA-N -1 0 449.576 3.754 50 0 IHAARM O=C(NCCC1=CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000016684466 556625124 /nfs/dbraw/zinc/62/51/24/556625124.db2.gz BUJADKLIRHOBMI-UHFFFAOYSA-N -1 0 442.537 3.879 50 0 IHAARM O=C([O-])[C@@H](Cc1ccccc1)n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040396614 556639122 /nfs/dbraw/zinc/63/91/22/556639122.db2.gz OQCHAHLLUYCAHC-OAQYLSRUSA-N -1 0 428.423 3.719 50 0 IHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 ZINC000017095462 556659089 /nfs/dbraw/zinc/65/90/89/556659089.db2.gz DFRQAJMUXISSOO-SJORKVTESA-N -1 0 427.526 3.549 50 0 IHAARM Cc1cc(C)c(S(=O)(=O)[N-]NC(=S)Nc2ccc(Br)cc2)c(C)c1 ZINC000017095736 556659309 /nfs/dbraw/zinc/65/93/09/556659309.db2.gz GBRPVNALHPVIAF-UHFFFAOYSA-N -1 0 428.377 3.554 50 0 IHAARM Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000011866842 556666947 /nfs/dbraw/zinc/66/69/47/556666947.db2.gz YXBWADHCHFVGLL-NYHFZMIOSA-N -1 0 435.476 3.690 50 0 IHAARM CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238881558 556681951 /nfs/dbraw/zinc/68/19/51/556681951.db2.gz AUOQTWUVJWASOW-BRWVUGGUSA-N -1 0 429.513 3.828 50 0 biogenic IHAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238950603 556682197 /nfs/dbraw/zinc/68/21/97/556682197.db2.gz YXDXKAPCDRCRNK-BRWVUGGUSA-N -1 0 429.513 3.910 50 0 biogenic IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000097940900 556810806 /nfs/dbraw/zinc/81/08/06/556810806.db2.gz RBSLMHBUGSBGQS-UHFFFAOYSA-N -1 0 446.504 3.853 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000097940850 556811437 /nfs/dbraw/zinc/81/14/37/556811437.db2.gz UUJIQEQWKRYDPC-UHFFFAOYSA-N -1 0 428.514 3.632 50 0 IHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCCC2)oc1C ZINC000097940851 556811456 /nfs/dbraw/zinc/81/14/56/556811456.db2.gz NLMTXSHMHAQYNJ-UHFFFAOYSA-N -1 0 428.514 3.577 50 0 IHAARM COc1ccc(C)cc1NC(=O)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097942089 556812716 /nfs/dbraw/zinc/81/27/16/556812716.db2.gz OYXUSLSLQMWTDX-UHFFFAOYSA-N -1 0 429.480 3.597 50 0 IHAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000019643373 556838114 /nfs/dbraw/zinc/83/81/14/556838114.db2.gz CTJJDFGIBRGKMS-GJZGRUSLSA-N -1 0 445.493 3.824 50 0 IHAARM CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc2s1 ZINC000033116456 556862028 /nfs/dbraw/zinc/86/20/28/556862028.db2.gz YRIVBMVREKABMO-UHFFFAOYSA-N -1 0 432.346 3.880 50 0 IHAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000033259876 556899106 /nfs/dbraw/zinc/89/91/06/556899106.db2.gz YUMJTBPLPOTNGT-UHFFFAOYSA-N -1 0 437.521 3.512 50 0 IHAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157545 557030447 /nfs/dbraw/zinc/03/04/47/557030447.db2.gz RBSJEXZLQAVTRF-IBGZPJMESA-N -1 0 441.507 3.995 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2ccc3nnc(C)n3n2)ccc1C ZINC000033269722 557047303 /nfs/dbraw/zinc/04/73/03/557047303.db2.gz KPIQQWANFXYPMO-UHFFFAOYSA-N -1 0 443.916 3.871 50 0 IHAARM O=C([O-])c1cccc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc21 ZINC000585141352 557085014 /nfs/dbraw/zinc/08/50/14/557085014.db2.gz TVJPOHSEGKNADC-ZMYBRWDISA-N -1 0 425.510 3.956 50 0 IHAARM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000024261587 557142358 /nfs/dbraw/zinc/14/23/58/557142358.db2.gz RQCBQMDRZFPHOM-UHFFFAOYSA-N -1 0 445.566 3.790 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(Cl)ccc4C)c=3c2=O)cc1Cl ZINC000101083664 557231583 /nfs/dbraw/zinc/23/15/83/557231583.db2.gz SRXLHPSHQYARGK-ZWKOTPCHSA-N -1 0 446.294 3.542 50 0 IHAARM Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)no2)cc1 ZINC000027794948 557274847 /nfs/dbraw/zinc/27/48/47/557274847.db2.gz QOSKAJFSZGTPRC-UHFFFAOYSA-N -1 0 449.492 3.802 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N(c4ccccc4)c4ccccc4)c=3c2=O)cc1 ZINC000101386968 557282100 /nfs/dbraw/zinc/28/21/00/557282100.db2.gz LLSXUAAKEFTYNQ-PKTZIBPZSA-N -1 0 439.475 3.653 50 0 IHAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(OCC)cc3)C2)c([O-])[nH]c1=S ZINC000101495334 557289053 /nfs/dbraw/zinc/28/90/53/557289053.db2.gz VZHMVPDRUJBFON-QGZVFWFLSA-N -1 0 444.557 3.898 50 0 IHAARM COc1ccc(-n2c(=O)c(C(=O)NCc3cccc(Cl)c3)c([O-])c3cccnc32)cc1 ZINC000101723289 557294731 /nfs/dbraw/zinc/29/47/31/557294731.db2.gz HZCSVJVHXQSZEQ-UHFFFAOYSA-N -1 0 435.867 3.683 50 0 IHAARM CCOc1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766297 557295804 /nfs/dbraw/zinc/29/58/04/557295804.db2.gz BIAJNRBGSUHKDK-LJQANCHMSA-N -1 0 437.521 3.546 50 0 IHAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)c1 ZINC000101892807 557305864 /nfs/dbraw/zinc/30/58/64/557305864.db2.gz VJGFFWBKWLUTQT-RTBURBONSA-N -1 0 448.508 3.569 50 0 IHAARM C/C(=C\C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000013579185 557349006 /nfs/dbraw/zinc/34/90/06/557349006.db2.gz FWKUEQMYSQYDLW-YPDDLIOESA-N -1 0 442.493 3.547 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 ZINC000011693254 557390905 /nfs/dbraw/zinc/39/09/05/557390905.db2.gz RNAZVKMNRWQQSB-UHFFFAOYSA-N -1 0 441.893 3.997 50 0 IHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000102820749 557393821 /nfs/dbraw/zinc/39/38/21/557393821.db2.gz HDTFKHIUZHZVDT-FQEVSTJZSA-N -1 0 448.479 3.698 50 0 IHAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(-c4cccc(Br)c4)nn32)cc1 ZINC000102859863 557399911 /nfs/dbraw/zinc/39/99/11/557399911.db2.gz QUMHCJMLFFZWTH-INIZCTEOSA-N -1 0 427.258 3.700 50 0 IHAARM COC(=O)C[C@H](c1ccc(OCCc2ccccc2)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205977048 557401546 /nfs/dbraw/zinc/40/15/46/557401546.db2.gz KLZPYQQZRLGSLE-OAQYLSRUSA-N -1 0 444.487 3.717 50 0 IHAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccc(Cl)c(Cl)c1)NC1CCCCC1 ZINC000015836560 557467518 /nfs/dbraw/zinc/46/75/18/557467518.db2.gz ACYKVNXRCMAYJG-UHFFFAOYSA-N -1 0 428.341 3.786 50 0 IHAARM O=C1N[C@H](c2cccc(C(F)(F)F)c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213477 557523189 /nfs/dbraw/zinc/52/31/89/557523189.db2.gz WRFPKUKAJNLGHY-LALPHHSUSA-N -1 0 438.349 3.871 50 0 IHAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)Cc1ccccc1Cl ZINC000225546264 557739836 /nfs/dbraw/zinc/73/98/36/557739836.db2.gz DCMNEKBSMSROJL-IBGZPJMESA-N -1 0 447.988 3.883 50 0 IHAARM CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000229890341 557833722 /nfs/dbraw/zinc/83/37/22/557833722.db2.gz UVAZWQPBCIEZCG-YTFSRNRJSA-N -1 0 446.434 3.802 50 0 IHAARM CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000229968324 557834441 /nfs/dbraw/zinc/83/44/41/557834441.db2.gz RMZWPBIXXJEQBB-PWRODBHTSA-N -1 0 432.432 3.507 50 0 IHAARM O=C(COc1ccc2cc(-c3ccccc3)c(=O)oc2c1)NCC1CCC(C(=O)[O-])CC1 ZINC000002130934 562925925 /nfs/dbraw/zinc/92/59/25/562925925.db2.gz XYKMEDUGXHOUKH-UHFFFAOYSA-N -1 0 435.476 3.846 50 0 biogenic IHAARM CCOc1cc([C@H]2[C@@H](C(=O)[O-])c3cc(OCC)c(OCC)cc3C(=O)N2C)ccc1O ZINC000004118718 562942194 /nfs/dbraw/zinc/94/21/94/562942194.db2.gz ZWZNGKXDUVATCL-SFTDATJTSA-N -1 0 429.469 3.583 50 0 IHAARM CCc1ccc(NC(=O)c2ccc3c([O-])c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1 ZINC000008589505 562951197 /nfs/dbraw/zinc/95/11/97/562951197.db2.gz CRCONDHYBDJTEW-UHFFFAOYSA-N -1 0 448.500 3.881 50 0 IHAARM CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000013139101 562985174 /nfs/dbraw/zinc/98/51/74/562985174.db2.gz HWVNROCGWHZWDV-UHFFFAOYSA-N -1 0 449.579 3.736 50 0 IHAARM CCOc1cc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc(OCC)c1OCC ZINC000001160503 568664401 /nfs/dbraw/zinc/66/44/01/568664401.db2.gz NXDOGKSUAMVSOW-UHFFFAOYSA-N -1 0 432.498 3.708 50 0 IHAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c(C(=O)OC)c1C ZINC000003426901 568748837 /nfs/dbraw/zinc/74/88/37/568748837.db2.gz NXMOSKCVNBNDNY-UHFFFAOYSA-N -1 0 438.310 3.737 50 0 IHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000003626936 568752121 /nfs/dbraw/zinc/75/21/21/568752121.db2.gz IWGUSSQNOHLFTD-AWEZNQCLSA-N -1 0 428.268 3.722 50 0 IHAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720718 568811719 /nfs/dbraw/zinc/81/17/19/568811719.db2.gz OPMNLGRGRIDIMV-UHFFFAOYSA-N -1 0 447.925 3.702 50 0 IHAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000015731474 568814882 /nfs/dbraw/zinc/81/48/82/568814882.db2.gz VLZNECGNUYWRAN-UHFFFAOYSA-N -1 0 446.868 3.840 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1OC ZINC000085664602 568833794 /nfs/dbraw/zinc/83/37/94/568833794.db2.gz ALUQIDFRZGZIAY-UHFFFAOYSA-N -1 0 433.433 3.975 50 0 IHAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006147059 568846278 /nfs/dbraw/zinc/84/62/78/568846278.db2.gz QOCPAIDZVXLHPG-UHFFFAOYSA-N -1 0 435.427 3.831 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)c(OC)c1 ZINC000015882158 568856743 /nfs/dbraw/zinc/85/67/43/568856743.db2.gz XVJWEMSSYXHLEO-UHFFFAOYSA-N -1 0 440.525 3.562 50 0 IHAARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2F)C1=O ZINC000035456501 568882008 /nfs/dbraw/zinc/88/20/08/568882008.db2.gz VHAARFULZVBXGZ-UNOMPAQXSA-N -1 0 438.434 3.902 50 0 IHAARM CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)[O-] ZINC000169722828 568883761 /nfs/dbraw/zinc/88/37/61/568883761.db2.gz FSCCIFFKRBHSLF-OAHLLOKOSA-N -1 0 440.496 3.893 50 0 IHAARM O=C([O-])C[C@@H](CC(=O)NCC1CCN(C(=O)c2ccccc2F)CC1)c1cccs1 ZINC000090607353 568890157 /nfs/dbraw/zinc/89/01/57/568890157.db2.gz FKJRQPQDUOUXQZ-MRXNPFEDSA-N -1 0 432.517 3.504 50 0 IHAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)cc1Cl ZINC000089457561 568925619 /nfs/dbraw/zinc/92/56/19/568925619.db2.gz JVCZDKAWYYETSU-UHFFFAOYSA-N -1 0 438.658 3.749 50 0 IHAARM O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NC(=O)C1CCCC1 ZINC000064590479 568935058 /nfs/dbraw/zinc/93/50/58/568935058.db2.gz OVEGHEWOXAXLEX-UHFFFAOYSA-N -1 0 425.504 3.975 50 0 IHAARM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000006624513 568941982 /nfs/dbraw/zinc/94/19/82/568941982.db2.gz WSBGVLHRRFXMNO-SIKLNZKXSA-N -1 0 426.513 3.860 50 0 biogenic IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)n(C)c1C ZINC000064922378 568985967 /nfs/dbraw/zinc/98/59/67/568985967.db2.gz FIEQQQUPZXHOKB-UHFFFAOYSA-N -1 0 439.965 3.668 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OCc2cc(=O)n3ccsc3n2)cc1 ZINC000064976741 569077283 /nfs/dbraw/zinc/07/72/83/569077283.db2.gz VHDSMJXNLOYAHN-UHFFFAOYSA-N -1 0 441.534 3.753 50 0 IHAARM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2F)C1 ZINC000036370440 569088501 /nfs/dbraw/zinc/08/85/01/569088501.db2.gz NLKZKYUGBOKYPW-SUMWQHHRSA-N -1 0 432.521 3.562 50 0 IHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1 ZINC000065097424 569103906 /nfs/dbraw/zinc/10/39/06/569103906.db2.gz NHWQXYXZGUBVBG-UHFFFAOYSA-N -1 0 446.554 3.706 50 0 IHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1 ZINC000065098923 569104340 /nfs/dbraw/zinc/10/43/40/569104340.db2.gz CIAYDCIMAYRXPZ-UHFFFAOYSA-N -1 0 446.554 3.787 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000065116229 569107220 /nfs/dbraw/zinc/10/72/20/569107220.db2.gz FPXKLBAARRQMPY-UHFFFAOYSA-N -1 0 429.498 3.980 50 0 IHAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc2C1 ZINC000065196165 569115567 /nfs/dbraw/zinc/11/55/67/569115567.db2.gz BYPIULPPGUGPGX-UHFFFAOYSA-N -1 0 447.351 3.745 50 0 IHAARM Cc1ccc(CNC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000016848465 569164147 /nfs/dbraw/zinc/16/41/47/569164147.db2.gz LWFMIWOVEYRCFQ-UHFFFAOYSA-N -1 0 433.530 3.640 50 0 IHAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)N1CCc2ccccc2C1 ZINC000016848462 569164261 /nfs/dbraw/zinc/16/42/61/569164261.db2.gz BDFUJEILQJWNOO-UHFFFAOYSA-N -1 0 445.541 3.601 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1 ZINC000017025896 569170919 /nfs/dbraw/zinc/17/09/19/569170919.db2.gz DJCGWGMOXDUCPB-UHFFFAOYSA-N -1 0 431.539 3.751 50 0 IHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 ZINC000017026543 569171144 /nfs/dbraw/zinc/17/11/44/569171144.db2.gz RWQRNPPYGSVYQP-UHFFFAOYSA-N -1 0 427.530 3.712 50 0 IHAARM Cc1cc(NC(=O)c2cccs2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1 ZINC000017053580 569171973 /nfs/dbraw/zinc/17/19/73/569171973.db2.gz RCQABGLFOVKAGX-UHFFFAOYSA-N -1 0 445.508 3.946 50 0 IHAARM Cc1c(O[C@@H](C)C(=O)NCCCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002103585 569180031 /nfs/dbraw/zinc/18/00/31/569180031.db2.gz GUDLKGHSGHRLGS-KRWDZBQOSA-N -1 0 437.492 3.749 50 0 biogenic IHAARM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095642257 569180142 /nfs/dbraw/zinc/18/01/42/569180142.db2.gz DBRIPJFWEWCYMW-NRFANRHFSA-N -1 0 431.444 3.950 50 0 IHAARM COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc2c1 ZINC000002106457 569181196 /nfs/dbraw/zinc/18/11/96/569181196.db2.gz AKWANRCWHIDOQA-LJQANCHMSA-N -1 0 443.883 3.508 50 0 biogenic IHAARM Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(C)c2oc1=O ZINC000002114207 569182201 /nfs/dbraw/zinc/18/22/01/569182201.db2.gz DAUZKCMABFABJP-SFHVURJKSA-N -1 0 443.883 3.563 50 0 biogenic IHAARM Cc1cc(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)c(C)n1Cc1cccs1 ZINC000170672163 569195315 /nfs/dbraw/zinc/19/53/15/569195315.db2.gz LASITWSILTVENT-UHFFFAOYSA-N -1 0 425.510 3.672 50 0 IHAARM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000170675994 569195396 /nfs/dbraw/zinc/19/53/96/569195396.db2.gz GEHZASCFPIHHKF-AWEZNQCLSA-N -1 0 442.313 3.776 50 0 IHAARM COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1C ZINC000027552207 569272206 /nfs/dbraw/zinc/27/22/06/569272206.db2.gz KEYFNUAISWNWHN-BOPFTXTBSA-N -1 0 430.888 3.994 50 0 IHAARM COc1ccc(CCNC(=O)C[C@@H](c2ccc(OC)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470562 569282478 /nfs/dbraw/zinc/28/24/78/569282478.db2.gz GTRTXISXYYHKIL-NRFANRHFSA-N -1 0 437.492 3.552 50 0 IHAARM COc1cc2c(cc1OC)C1=NC(=O)[C@@H](CC3CCCCC3)N1C(S[C@H](C)C(=O)[O-])=N2 ZINC000008873480 569291636 /nfs/dbraw/zinc/29/16/36/569291636.db2.gz KYRYBTBAMFNFBZ-MLGOLLRUSA-N -1 0 445.541 3.839 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000013040618 569307941 /nfs/dbraw/zinc/30/79/41/569307941.db2.gz ZMZYWRYRASGGQJ-UHFFFAOYSA-N -1 0 438.505 3.763 50 0 IHAARM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C ZINC000019932754 569332169 /nfs/dbraw/zinc/33/21/69/569332169.db2.gz FPJCIFHAJZSNCS-HNNXBMFYSA-N -1 0 431.539 3.967 50 0 IHAARM COc1ccc(NC(=O)CCCn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1 ZINC000020330545 569360760 /nfs/dbraw/zinc/36/07/60/569360760.db2.gz DHIRKKUJIRBXCE-UHFFFAOYSA-N -1 0 438.509 3.976 50 0 IHAARM Cc1cc(C)nc(-n2cc(C(=O)Nc3ccc(-n4ccc(C(=O)[O-])n4)cc3)c(C(C)C)n2)n1 ZINC000095425272 569366036 /nfs/dbraw/zinc/36/60/36/569366036.db2.gz RNZQGYNDVMXDCP-UHFFFAOYSA-N -1 0 445.483 3.539 50 0 IHAARM O=C([O-])C[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000095464056 569370436 /nfs/dbraw/zinc/37/04/36/569370436.db2.gz OOECYMGIBKQSPK-HNNXBMFYSA-N -1 0 446.784 3.560 50 0 IHAARM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)s1 ZINC000096011298 569379750 /nfs/dbraw/zinc/37/97/50/569379750.db2.gz KJBOGEOIDZGSIH-UHFFFAOYSA-N -1 0 432.571 3.644 50 0 IHAARM O=C(CCCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002660849 569415982 /nfs/dbraw/zinc/41/59/82/569415982.db2.gz MWPPVKNVHFWVOE-UHFFFAOYSA-N -1 0 428.539 3.788 50 0 IHAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)NCc3ccccc3)cc2[n-]c1=S ZINC000003051652 569439251 /nfs/dbraw/zinc/43/92/51/569439251.db2.gz ZAHJFKGJCGLLNX-UHFFFAOYSA-N -1 0 431.517 3.672 50 0 IHAARM O=C(NC1CCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003051686 569439287 /nfs/dbraw/zinc/43/92/87/569439287.db2.gz YPRMNBYVEWMSDS-UHFFFAOYSA-N -1 0 437.521 3.525 50 0 IHAARM CCCn1c(=O)c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2[n-]c1=S ZINC000003051749 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/nfs/dbraw/zinc/64/04/66/526640466.db2.gz MJBQAROQSPLANK-SEYXRHQNSA-N -1 0 433.511 3.505 50 0 IHAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022626901 527206811 /nfs/dbraw/zinc/20/68/11/527206811.db2.gz UCTXFDJNXMOUMU-IBGZPJMESA-N -1 0 441.507 3.995 50 0 IHAARM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1ccc(Br)cc1Cl ZINC000012557065 527255989 /nfs/dbraw/zinc/25/59/89/527255989.db2.gz ITEPOVCCEXUMAI-UHFFFAOYSA-N -1 0 431.739 3.740 50 0 IHAARM CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000000707842 555545430 /nfs/dbraw/zinc/54/54/30/555545430.db2.gz MRQCQNCTUKDNRE-XDJZYPBNSA-N -1 0 437.451 3.525 50 0 IHAARM CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000000716549 555548674 /nfs/dbraw/zinc/54/86/74/555548674.db2.gz WFUPUDMUCATRAO-YKUCYRFJSA-N -1 0 437.451 3.525 50 0 IHAARM Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C ZINC000000914987 555583160 /nfs/dbraw/zinc/58/31/60/555583160.db2.gz 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3.893 50 0 IHAARM Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000002830511 555831657 /nfs/dbraw/zinc/83/16/57/555831657.db2.gz HKOOKMBWEXGDRH-AEUZFIIDSA-N -1 0 428.488 3.578 50 0 IHAARM O=C([O-])/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1I ZINC000002833305 555832048 /nfs/dbraw/zinc/83/20/48/555832048.db2.gz YVQBBECXINIMGX-NTEUORMPSA-N -1 0 427.625 3.800 50 0 IHAARM CC(C)(C)C(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000002905323 555861293 /nfs/dbraw/zinc/86/12/93/555861293.db2.gz LHKZNIBSZNOOLF-NSHDSACASA-N -1 0 426.753 3.530 50 0 IHAARM CCCCOc1ccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c(=O)[n-]2)cc1 ZINC000034763301 555905009 /nfs/dbraw/zinc/90/50/09/555905009.db2.gz KZUUANFGBYLSGB-UHFFFAOYSA-N -1 0 432.524 3.941 50 0 IHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 ZINC000004647266 556005008 /nfs/dbraw/zinc/00/50/08/556005008.db2.gz QKYQRUVNWDITQN-LJQANCHMSA-N -1 0 439.566 3.641 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)no1 ZINC000008994342 556239423 /nfs/dbraw/zinc/23/94/23/556239423.db2.gz UOVLKCCRIANZNS-CYBMUJFWSA-N -1 0 435.889 3.843 50 0 IHAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1CSc1nnc(C)s1 ZINC000009016128 556241293 /nfs/dbraw/zinc/24/12/93/556241293.db2.gz RHOJAIZTIREOJL-UHFFFAOYSA-N -1 0 428.499 3.990 50 0 IHAARM CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000009323846 556281638 /nfs/dbraw/zinc/28/16/38/556281638.db2.gz SUFUGSLIFYMBLX-CXUHLZMHSA-N -1 0 430.844 3.538 50 0 IHAARM O=C(NCCc1ccco1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013719813 556289022 /nfs/dbraw/zinc/28/90/22/556289022.db2.gz AFLUJBKUAIYQDK-UHFFFAOYSA-N -1 0 427.507 3.663 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)NCCC(C)C)cc3s2)cc1 ZINC000013720982 556290074 /nfs/dbraw/zinc/29/00/74/556290074.db2.gz XODOLDJACRHCKD-UHFFFAOYSA-N -1 0 433.555 3.882 50 0 IHAARM CCOC(=O)N[C@]([N-]c1nc2ccc(OCC)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000013756345 556300871 /nfs/dbraw/zinc/30/08/71/556300871.db2.gz ZHZBBMLWTPTIMU-MRXNPFEDSA-N -1 0 435.424 3.675 50 0 IHAARM CCC(=O)Nc1ccc(C(=O)Nc2ccc(I)cc2C(=O)[O-])cc1 ZINC000013942643 556340022 /nfs/dbraw/zinc/34/00/22/556340022.db2.gz HQXBNGFHDLQWSB-UHFFFAOYSA-N -1 0 438.221 3.590 50 0 IHAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)C1 ZINC000013949269 556344253 /nfs/dbraw/zinc/34/42/53/556344253.db2.gz UEMDJLRNJBVECH-CHWSQXEVSA-N -1 0 449.019 3.869 50 0 IHAARM CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1 ZINC000032836343 556418300 /nfs/dbraw/zinc/41/83/00/556418300.db2.gz TULXLPIULFBLGN-UHFFFAOYSA-N -1 0 438.509 3.870 50 0 IHAARM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)n1 ZINC000011027545 556444928 /nfs/dbraw/zinc/44/49/28/556444928.db2.gz YGGGLIAWXOIZJM-UHFFFAOYSA-N -1 0 443.529 3.778 50 0 IHAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000030531484 556497103 /nfs/dbraw/zinc/49/71/03/556497103.db2.gz BLYNGSVAIVUJFL-HNNXBMFYSA-N -1 0 430.404 3.504 50 0 IHAARM O=C(Nc1nnc2ccccn21)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000030692256 556501974 /nfs/dbraw/zinc/50/19/74/556501974.db2.gz QQQSUXNOERZOMA-UHFFFAOYSA-N -1 0 445.863 3.575 50 0 IHAARM Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c12 ZINC000032893154 556520727 /nfs/dbraw/zinc/52/07/27/556520727.db2.gz NSKHTWADCHIJTC-UHFFFAOYSA-N -1 0 444.520 3.514 50 0 IHAARM COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1Br ZINC000013660483 556546891 /nfs/dbraw/zinc/54/68/91/556546891.db2.gz BCNFFQFPLVKUHU-UHFFFAOYSA-N -1 0 443.706 3.936 50 0 IHAARM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)CC1 ZINC000033274557 556558726 /nfs/dbraw/zinc/55/87/26/556558726.db2.gz VXKLSEGKCDBLER-MRXNPFEDSA-N -1 0 443.569 3.701 50 0 IHAARM Cn1c2ccccc2c2cc(/C=C(/NC(=O)c3ccccc3)C(=O)NCCC(=O)[O-])ccc21 ZINC000015938081 556566320 /nfs/dbraw/zinc/56/63/20/556566320.db2.gz JSXDTHWYXDPRBC-LTGZKZEYSA-N -1 0 441.487 3.693 50 0 IHAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCC(=O)[O-])cc1 ZINC000016115487 556583852 /nfs/dbraw/zinc/58/38/52/556583852.db2.gz NMODMMFBGXKWLE-HMMYKYKNSA-N -1 0 444.915 3.881 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3)ccc2F)cc1 ZINC000016115698 556584051 /nfs/dbraw/zinc/58/40/51/556584051.db2.gz WSNVXPPIAODQKD-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc2sc(NC(C)=O)nc21 ZINC000033007943 556656811 /nfs/dbraw/zinc/65/68/11/556656811.db2.gz QNJPRTGFPZGLFR-UHFFFAOYSA-N -1 0 441.918 3.726 50 0 IHAARM Cc1c(C(=O)[O-])sc2[nH]c(=S)n(NC(=O)c3cc4c(s3)CCCCC4)c(=O)c12 ZINC000017099647 556664956 /nfs/dbraw/zinc/66/49/56/556664956.db2.gz CZDKFROFCJSILK-UHFFFAOYSA-N -1 0 435.552 3.842 50 0 IHAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046141131 556692530 /nfs/dbraw/zinc/69/25/30/556692530.db2.gz HHMIFGPKHITFOE-UHFFFAOYSA-N -1 0 427.457 3.609 50 0 IHAARM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000722972835 556749446 /nfs/dbraw/zinc/74/94/46/556749446.db2.gz ACNLZHGQCZXOSU-GOSISDBHSA-N -1 0 445.397 3.894 50 0 IHAARM COc1cc(-c2nc(C(=O)N[C@@H](C)C(=O)[O-])cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000061999345 556764091 /nfs/dbraw/zinc/76/40/91/556764091.db2.gz YNFFSUPULUSMKT-LBPRGKRZSA-N -1 0 449.463 3.612 50 0 biogenic IHAARM CCOC(=O)N[C@@]([N-]c1cc(C(F)(F)F)ccc1OC)(C(=O)OCC)C(F)(F)F ZINC000003067642 556804578 /nfs/dbraw/zinc/80/45/78/556804578.db2.gz IUYCYFGMZDAVLD-AWEZNQCLSA-N -1 0 432.317 3.694 50 0 IHAARM O=C(Cc1c(F)cccc1Cl)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097941982 556812500 /nfs/dbraw/zinc/81/25/00/556812500.db2.gz BQVXXTUMNFVDIE-UHFFFAOYSA-N -1 0 436.874 3.610 50 0 IHAARM O=C([O-])COCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C(F)(F)F)c1)CCC2 ZINC000019635581 556834817 /nfs/dbraw/zinc/83/48/17/556834817.db2.gz IGOBYABAXXXYOK-UHFFFAOYSA-N -1 0 442.415 3.548 50 0 IHAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000033078518 556853451 /nfs/dbraw/zinc/85/34/51/556853451.db2.gz ZEKMDTHFWBVPBF-UHFFFAOYSA-N -1 0 431.876 3.569 50 0 IHAARM O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-])NC1c2ccccc2Oc2ccccc21 ZINC000071770849 556888072 /nfs/dbraw/zinc/88/80/72/556888072.db2.gz UCGUJYWDGWXJFG-LJQANCHMSA-N -1 0 446.459 3.768 50 0 IHAARM CCOc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(C)=O)ccc3n2)CC1 ZINC000033260784 556897668 /nfs/dbraw/zinc/89/76/68/556897668.db2.gz PMIGYHHITGXBOL-UHFFFAOYSA-N -1 0 434.496 3.617 50 0 IHAARM O=C(c1ccc(C(F)(F)F)s1)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097112113 556990293 /nfs/dbraw/zinc/99/02/93/556990293.db2.gz JFRQVCOYJDZCJR-UHFFFAOYSA-N -1 0 444.438 3.968 50 0 IHAARM Cc1cc2nc(COc3ccc(C)cc3[N-]S(=O)(=O)c3ccc(C)cc3)cc(=O)n2o1 ZINC000046048021 557026205 /nfs/dbraw/zinc/02/62/05/557026205.db2.gz VOYZAXDFFXJGSH-UHFFFAOYSA-N -1 0 439.493 3.593 50 0 IHAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000010828720 557032102 /nfs/dbraw/zinc/03/21/02/557032102.db2.gz RTMBCDLUAITJCY-PMACEKPBSA-N -1 0 428.510 3.507 50 0 IHAARM CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000032947144 557040291 /nfs/dbraw/zinc/04/02/91/557040291.db2.gz WWBAKNGBVDGORW-UHFFFAOYSA-N -1 0 431.876 3.569 50 0 IHAARM COc1cc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)cc(C(=O)[O-])c1OC ZINC000048302011 557063049 /nfs/dbraw/zinc/06/30/49/557063049.db2.gz WFFKWZMMSMHLHR-UHFFFAOYSA-N -1 0 449.510 3.711 50 0 IHAARM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2s1 ZINC000033299042 557075408 /nfs/dbraw/zinc/07/54/08/557075408.db2.gz WVKQXOZHFSQXGV-UHFFFAOYSA-N -1 0 436.989 3.996 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(-c3ccccc3)nn2)c1C ZINC000033308060 557087454 /nfs/dbraw/zinc/08/74/54/557087454.db2.gz OKWRGXIBSRIFSQ-UHFFFAOYSA-N -1 0 435.509 3.756 50 0 IHAARM O=C([O-])c1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)cc2)cc1 ZINC000016957139 557158820 /nfs/dbraw/zinc/15/88/20/557158820.db2.gz CRMXJUXOOZHGSQ-IBGZPJMESA-N -1 0 436.464 3.842 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc[nH]c3=S)ccc2OC)cc1 ZINC000024926359 557180234 /nfs/dbraw/zinc/18/02/34/557180234.db2.gz FJJLTGUZEBNPMW-UHFFFAOYSA-N -1 0 445.522 3.814 50 0 IHAARM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(NC(C)=O)ccc3OCC)sc2c1 ZINC000011615701 557211915 /nfs/dbraw/zinc/21/19/15/557211915.db2.gz UQEXDZATLLSGRP-UHFFFAOYSA-N -1 0 435.527 3.853 50 0 IHAARM COc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000072301092 557221199 /nfs/dbraw/zinc/22/11/99/557221199.db2.gz XQGTYOGYOHIWBB-MDZDMXLPSA-N -1 0 426.288 3.877 50 0 IHAARM Cc1nc2scc(-c3cccc([N-]S(=O)(=O)c4ccccc4F)c3)n2c(=O)c1C ZINC000011696657 557233102 /nfs/dbraw/zinc/23/31/02/557233102.db2.gz LZPDJXOCYMKYJF-UHFFFAOYSA-N -1 0 429.498 3.980 50 0 IHAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000018068406 557234975 /nfs/dbraw/zinc/23/49/75/557234975.db2.gz YXULWJUBTNSZEX-ZRBLBEILSA-N -1 0 430.460 3.755 50 0 IHAARM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026539211 557244103 /nfs/dbraw/zinc/24/41/03/557244103.db2.gz XELRAPWZMMATOH-UHFFFAOYSA-N -1 0 426.338 3.932 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1Cl ZINC000101262197 557265325 /nfs/dbraw/zinc/26/53/25/557265325.db2.gz OYJYMSCVYWPSLS-ZWKOTPCHSA-N -1 0 436.859 3.500 50 0 IHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)cc1Cl ZINC000101835448 557301984 /nfs/dbraw/zinc/30/19/84/557301984.db2.gz JZEHJPCCWBATOC-QGZVFWFLSA-N -1 0 442.834 3.920 50 0 IHAARM CCN(CC)C(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1C ZINC000102494776 557335691 /nfs/dbraw/zinc/33/56/91/557335691.db2.gz FTEBNEOTQMQNPS-UHFFFAOYSA-N -1 0 437.565 3.798 50 0 IHAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000104202708 557453139 /nfs/dbraw/zinc/45/31/39/557453139.db2.gz KBVFGQXDEVQCEJ-PGUXBMHVSA-N -1 0 437.363 3.766 50 0 IHAARM Cc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)c(C)c1 ZINC000051316765 557465396 /nfs/dbraw/zinc/46/53/96/557465396.db2.gz HRRUGLQTSIAIEF-UHFFFAOYSA-N -1 0 441.463 3.735 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C)[n-]c1=O ZINC000044803223 557537186 /nfs/dbraw/zinc/53/71/86/557537186.db2.gz FIDDNSCDHDDECM-AWEZNQCLSA-N -1 0 437.525 3.939 50 0 IHAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)c(C)c1 ZINC000000675180 557662732 /nfs/dbraw/zinc/66/27/32/557662732.db2.gz BLKPOIYAWPEWFU-RBUKOAKNSA-N -1 0 430.526 3.934 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)n1 ZINC000000888855 557856936 /nfs/dbraw/zinc/85/69/36/557856936.db2.gz FFAVTDNIBMNQDJ-UHFFFAOYSA-N -1 0 440.525 3.934 50 0 IHAARM CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)sc2c1 ZINC000000892692 557860504 /nfs/dbraw/zinc/86/05/04/557860504.db2.gz GHAGARJBQXRVCP-UHFFFAOYSA-N -1 0 437.351 3.807 50 0 IHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000002949425 562931093 /nfs/dbraw/zinc/93/10/93/562931093.db2.gz ILXJLBDYUHHFTO-CWDSQJGSSA-N -1 0 438.867 3.516 50 0 IHAARM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 ZINC000003328066 562934303 /nfs/dbraw/zinc/93/43/03/562934303.db2.gz NRJVWPAWZILQDA-UHFFFAOYSA-N -1 0 440.525 3.935 50 0 IHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)c1 ZINC000008595216 562953414 /nfs/dbraw/zinc/95/34/14/562953414.db2.gz NDFKVNXUTREEFX-UHFFFAOYSA-N -1 0 444.553 3.974 50 0 IHAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000023053524 568615487 /nfs/dbraw/zinc/61/54/87/568615487.db2.gz CVBZJFYTPOPKOE-UHFFFAOYSA-N -1 0 438.292 3.543 50 0 IHAARM CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)c1 ZINC000001023801 568653261 /nfs/dbraw/zinc/65/32/61/568653261.db2.gz YUKZNKQZLKDRST-UHFFFAOYSA-N -1 0 438.461 3.641 50 0 IHAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1)Nc1ccc(N2CCCC2)c(C(F)(F)F)c1 ZINC000001410388 568787880 /nfs/dbraw/zinc/78/78/80/568787880.db2.gz TVVWHYOUQQYKRB-UHFFFAOYSA-N -1 0 431.411 3.955 50 0 IHAARM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095749039 568791706 /nfs/dbraw/zinc/79/17/06/568791706.db2.gz DBRIPJFWEWCYMW-OAQYLSRUSA-N -1 0 431.444 3.950 50 0 IHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1Cl ZINC000015730320 568813924 /nfs/dbraw/zinc/81/39/24/568813924.db2.gz NPVWYIZJCZXFCK-SNVBAGLBSA-N -1 0 442.946 3.981 50 0 IHAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccc(Br)cc1 ZINC000015731483 568814868 /nfs/dbraw/zinc/81/48/68/568814868.db2.gz YDJCSDSXOPIZCL-UHFFFAOYSA-N -1 0 447.310 3.808 50 0 IHAARM COC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146375 568846067 /nfs/dbraw/zinc/84/60/67/568846067.db2.gz RDMMINOXWHQAMJ-UHFFFAOYSA-N -1 0 428.441 3.665 50 0 IHAARM CCc1ccc(-c2cc(C(=O)Nc3ccc4nc([N-]S(C)(=O)=O)sc4c3)n[nH]2)cc1 ZINC000015861993 568848488 /nfs/dbraw/zinc/84/84/88/568848488.db2.gz BZMXAOWSTKQIGV-UHFFFAOYSA-N -1 0 441.538 3.873 50 0 IHAARM CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000015953448 568859618 /nfs/dbraw/zinc/85/96/18/568859618.db2.gz PNBQAVJEMKILAJ-YTEVENLXSA-N -1 0 425.481 3.884 50 0 IHAARM CCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001773477 568906392 /nfs/dbraw/zinc/90/63/92/568906392.db2.gz ZHMBQJCVRLNJEJ-UHFFFAOYSA-N -1 0 440.525 3.638 50 0 IHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000035829534 568928105 /nfs/dbraw/zinc/92/81/05/568928105.db2.gz WNMQCNMPWOLXJR-ZDLGFXPLSA-N -1 0 426.835 3.772 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)[n-]c1=O ZINC000064774840 568954046 /nfs/dbraw/zinc/95/40/46/568954046.db2.gz FTXHQKQNXBCMML-UHFFFAOYSA-N -1 0 445.451 3.520 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000064774847 568954183 /nfs/dbraw/zinc/95/41/83/568954183.db2.gz YLRNNQVGXSMJPA-UHFFFAOYSA-N -1 0 443.916 3.895 50 0 IHAARM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000065097632 569104035 /nfs/dbraw/zinc/10/40/35/569104035.db2.gz AVRKTDHOZIWHQZ-UHFFFAOYSA-N -1 0 446.554 3.760 50 0 IHAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1 ZINC000065098944 569104920 /nfs/dbraw/zinc/10/49/20/569104920.db2.gz DYWJWIWFHJXEIG-UHFFFAOYSA-N -1 0 432.527 3.533 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000065116155 569107166 /nfs/dbraw/zinc/10/71/66/569107166.db2.gz PKJVPHNCMDZYOY-UHFFFAOYSA-N -1 0 429.498 3.980 50 0 IHAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cncc(Br)c1 ZINC000037111698 569140093 /nfs/dbraw/zinc/14/00/93/569140093.db2.gz UVZBJFOUEROHNU-UHFFFAOYSA-N -1 0 438.328 3.959 50 0 IHAARM CC(=O)c1cccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000016848392 569164249 /nfs/dbraw/zinc/16/42/49/569164249.db2.gz MAHASHBDSXFRST-UHFFFAOYSA-N -1 0 429.523 3.718 50 0 IHAARM O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccs1 ZINC000017191274 569175752 /nfs/dbraw/zinc/17/57/52/569175752.db2.gz HHMNVIJVADPPEH-UHFFFAOYSA-N -1 0 434.564 3.690 50 0 IHAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc2c1 ZINC000002106455 569181199 /nfs/dbraw/zinc/18/11/99/569181199.db2.gz AKWANRCWHIDOQA-IBGZPJMESA-N -1 0 443.883 3.508 50 0 biogenic IHAARM Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2oc1=O ZINC000252694716 569211036 /nfs/dbraw/zinc/21/10/36/569211036.db2.gz OUONAQFJFXQPST-KKUMJFAQSA-N -1 0 435.904 3.838 50 0 biogenic IHAARM O=C1OCc2cc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000002259787 569215613 /nfs/dbraw/zinc/21/56/13/569215613.db2.gz TYPVGZFHAZUVFH-UHFFFAOYSA-N -1 0 432.461 3.845 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C ZINC000257358866 569263860 /nfs/dbraw/zinc/26/38/60/569263860.db2.gz WVULKSPCQVQLCU-DCFJJWDUSA-N -1 0 449.632 3.594 50 0 IHAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000002406500 569300264 /nfs/dbraw/zinc/30/02/64/569300264.db2.gz VARXRXVMXBPTGE-NJYVYQBISA-N -1 0 432.407 3.575 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)ccc1Br ZINC000013112314 569310412 /nfs/dbraw/zinc/31/04/12/569310412.db2.gz ALCXWDYPGRVZNT-UHFFFAOYSA-N -1 0 427.711 3.792 50 0 IHAARM CCC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nnn[n-]1 ZINC000079051490 569323347 /nfs/dbraw/zinc/32/33/47/569323347.db2.gz ZVYSMJFBCXTKEJ-LJQANCHMSA-N -1 0 435.919 3.906 50 0 IHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3OC)C2)c1 ZINC000095532102 569374695 /nfs/dbraw/zinc/37/46/95/569374695.db2.gz PAGHEZIQRAPKLX-FQEVSTJZSA-N -1 0 426.469 3.645 50 0 IHAARM Cc1cc(C)c(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)c(C)c1CC(=O)[O-] ZINC000096007266 569379458 /nfs/dbraw/zinc/37/94/58/569379458.db2.gz ZZVNKXGQPQLXSV-UHFFFAOYSA-N -1 0 430.526 3.557 50 0 IHAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000096361091 569397644 /nfs/dbraw/zinc/39/76/44/569397644.db2.gz SBMLLAOBYIWHTF-UHFFFAOYSA-N -1 0 440.403 3.670 50 0 IHAARM CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000096580776 569401709 /nfs/dbraw/zinc/40/17/09/569401709.db2.gz VKWBOQPNBPZZKP-UHFFFAOYSA-N -1 0 440.477 3.837 50 0 IHAARM O=C([O-])CCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000002628647 569411938 /nfs/dbraw/zinc/41/19/38/569411938.db2.gz OOGBMEHVNGEWCG-UHFFFAOYSA-N -1 0 428.286 3.783 50 0 IHAARM Cc1ccc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1C ZINC000002653461 569415115 /nfs/dbraw/zinc/41/51/15/569415115.db2.gz OBIGBMDSRBKWRU-UHFFFAOYSA-N -1 0 444.534 3.961 50 0 IHAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)N(Cc2ccc(Cl)cc2)c2cnccn2)cc1 ZINC000004105078 569459094 /nfs/dbraw/zinc/45/90/94/569459094.db2.gz ZXPDUUGCLCZTRA-UHFFFAOYSA-N -1 0 430.917 3.685 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000067245474 569465875 /nfs/dbraw/zinc/46/58/75/569465875.db2.gz GLTMRATUYUVVDQ-UHFFFAOYSA-N -1 0 434.905 3.742 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)s1 ZINC000008840290 569478297 /nfs/dbraw/zinc/47/82/97/569478297.db2.gz LVXVGKKVIXQLQT-UHFFFAOYSA-N -1 0 448.591 3.604 50 0 IHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc4nccnc4c3)C2)cc1OC ZINC000039563651 569481763 /nfs/dbraw/zinc/48/17/63/569481763.db2.gz CXMSQGMHCDJEEX-FQEVSTJZSA-N -1 0 448.479 3.580 50 0 IHAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000008978147 569493035 /nfs/dbraw/zinc/49/30/35/569493035.db2.gz PWSWPXVHVGCSDN-UHFFFAOYSA-N -1 0 440.550 3.706 50 0 IHAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000009228202 569513591 /nfs/dbraw/zinc/51/35/91/569513591.db2.gz PRXZZYPIWZSNRP-UHFFFAOYSA-N -1 0 429.336 3.690 50 0 IHAARM Cc1ccn2c(c1)nc(-c1cccs1)c2[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000009468419 569538618 /nfs/dbraw/zinc/53/86/18/569538618.db2.gz JMUDLZQCQRNSMZ-UHFFFAOYSA-N -1 0 427.507 3.943 50 0 IHAARM CCCCNC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1cc(C)ccc1C ZINC000009509509 569542600 /nfs/dbraw/zinc/54/26/00/569542600.db2.gz IFYFCLWHECUVIM-UHFFFAOYSA-N -1 0 439.537 3.709 50 0 IHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(-c3ccno3)cc2)c(C)n1C ZINC000009685161 569560605 /nfs/dbraw/zinc/56/06/05/569560605.db2.gz RBOBVQUWWRHRSH-UHFFFAOYSA-N -1 0 442.541 3.724 50 0 IHAARM Cc1ccc(CNC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000009828509 569569773 /nfs/dbraw/zinc/56/97/73/569569773.db2.gz FNJNLSNMDKEBTN-UHFFFAOYSA-N -1 0 435.958 3.765 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(SC)c3)cs2)cc1 ZINC000009828675 569569852 /nfs/dbraw/zinc/56/98/52/569569852.db2.gz MSCCLZQKLOXNNS-UHFFFAOYSA-N -1 0 449.579 3.856 50 0 IHAARM CC(=O)Nc1ccc(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1Cl ZINC000009980150 569576447 /nfs/dbraw/zinc/57/64/47/569576447.db2.gz XACAWBWWMKPVIX-UHFFFAOYSA-N -1 0 430.867 3.796 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)cc1 ZINC000013690840 569584266 /nfs/dbraw/zinc/58/42/66/569584266.db2.gz BAPYLEDKKFBDAK-UHFFFAOYSA-N -1 0 426.523 3.915 50 0 IHAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020725233 518811362 /nfs/dbraw/zinc/81/13/62/518811362.db2.gz KCDSUMVJYGEQNF-INIZCTEOSA-N -1 0 438.322 3.609 50 0 IHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000035397496 520485068 /nfs/dbraw/zinc/48/50/68/520485068.db2.gz NKTACTGWESXLKX-UHFFFAOYSA-N -1 0 441.937 3.869 50 0 IHAARM COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000017100255 522306748 /nfs/dbraw/zinc/30/67/48/522306748.db2.gz DAWPUDBSOLAEMD-QWRGUYRKSA-N -1 0 436.511 3.678 50 0 IHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c1C ZINC000012551668 524190594 /nfs/dbraw/zinc/19/05/94/524190594.db2.gz LARZOQJQLAYBIQ-LBPRGKRZSA-N -1 0 437.468 3.828 50 0 IHAARM Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)n[nH]2)c1C ZINC000032985026 524658881 /nfs/dbraw/zinc/65/88/81/524658881.db2.gz KHAMMXGRUYVOLZ-UHFFFAOYSA-N -1 0 449.330 3.842 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2OC)cc1OC ZINC000012871461 525078365 /nfs/dbraw/zinc/07/83/65/525078365.db2.gz ICFYRFBUVMKXPQ-UHFFFAOYSA-N -1 0 436.711 3.929 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c(OC)c1 ZINC000013006617 525085623 /nfs/dbraw/zinc/08/56/23/525085623.db2.gz AHAXBBPOLMVKQS-UHFFFAOYSA-N -1 0 440.477 3.887 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)no1 ZINC000012521114 525288192 /nfs/dbraw/zinc/28/81/92/525288192.db2.gz PVCWIHYOEQMZJS-UHFFFAOYSA-N -1 0 435.527 3.708 50 0 IHAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000022609469 525383362 /nfs/dbraw/zinc/38/33/62/525383362.db2.gz SZRRRJTUQNXWPK-LJQANCHMSA-N -1 0 439.516 3.556 50 0 IHAARM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000014867671 525638781 /nfs/dbraw/zinc/63/87/81/525638781.db2.gz VCULLSFZRPZTDJ-UHFFFAOYSA-N -1 0 438.752 3.615 50 0 IHAARM Cc1c(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000238900845 525883392 /nfs/dbraw/zinc/88/33/92/525883392.db2.gz KKIRUQQQAGIULB-BRWVUGGUSA-N -1 0 441.524 3.755 50 0 IHAARM [O-]c1c([C@@H](c2ccccc2Cl)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851894 526330396 /nfs/dbraw/zinc/33/03/96/526330396.db2.gz SVQBAGQLSQKRIM-MRXNPFEDSA-N -1 0 430.917 3.956 50 0 IHAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)NCc1ccccc1Cl ZINC000012361062 527010667 /nfs/dbraw/zinc/01/06/67/527010667.db2.gz BAGDQWDXTICXNN-UHFFFAOYSA-N -1 0 430.338 3.513 50 0 IHAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000020614461 527568087 /nfs/dbraw/zinc/56/80/87/527568087.db2.gz BKFZRPUQMUYDFP-UHFFFAOYSA-N -1 0 428.663 3.576 50 0 IHAARM Nn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccc(Cl)cc1Cl ZINC000012889713 527583905 /nfs/dbraw/zinc/58/39/05/527583905.db2.gz FCQNRRQFAAKISY-UHFFFAOYSA-N -1 0 425.326 3.556 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)n1 ZINC000000711705 555547491 /nfs/dbraw/zinc/54/74/91/555547491.db2.gz PATKTUGDTOWKCL-UHFFFAOYSA-N -1 0 446.916 3.565 50 0 IHAARM CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000000716550 555548561 /nfs/dbraw/zinc/54/85/61/555548561.db2.gz WFUPUDMUCATRAO-FPAXGFGJSA-N -1 0 437.451 3.525 50 0 IHAARM Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1C(C)C ZINC000000726287 555551308 /nfs/dbraw/zinc/55/13/08/555551308.db2.gz KWGGBWIIVFDRLB-UHFFFAOYSA-N -1 0 440.525 3.727 50 0 IHAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000009454399 555573544 /nfs/dbraw/zinc/57/35/44/555573544.db2.gz RGPKKFIUNGHIGU-QGOAFFKASA-N -1 0 439.464 3.936 50 0 IHAARM CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c1 ZINC000000956488 555590224 /nfs/dbraw/zinc/59/02/24/555590224.db2.gz UCEKSAZMVPLVKD-UHFFFAOYSA-N -1 0 429.498 3.672 50 0 aggregator IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cncs2)cc1)c1ccccc1Br ZINC000001067510 555619079 /nfs/dbraw/zinc/61/90/79/555619079.db2.gz ANPMBDJOFOWVEI-UHFFFAOYSA-N -1 0 438.328 3.959 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=S)NCCc3ccccc3)cc2)c1C ZINC000001080478 555625996 /nfs/dbraw/zinc/62/59/96/555625996.db2.gz KRQPVTBTEFGZPF-UHFFFAOYSA-N -1 0 430.555 3.621 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)no1 ZINC000001114459 555633485 /nfs/dbraw/zinc/63/34/85/555633485.db2.gz KTSIJYGYFLFAOE-CYBMUJFWSA-N -1 0 435.889 3.843 50 0 IHAARM COc1cc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2)cc(OC)c1OC ZINC000001155866 555658658 /nfs/dbraw/zinc/65/86/58/555658658.db2.gz WRXLVCQVQLQDFF-UHFFFAOYSA-N -1 0 428.437 3.723 50 0 IHAARM Cc1cc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)c1 ZINC000001446521 555699069 /nfs/dbraw/zinc/69/90/69/555699069.db2.gz LPHFDCPXOZBHPF-UHFFFAOYSA-N -1 0 431.539 3.887 50 0 IHAARM O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])NC1c2ccccc2Oc2ccccc21 ZINC000002386604 555774706 /nfs/dbraw/zinc/77/47/06/555774706.db2.gz UCGUJYWDGWXJFG-IBGZPJMESA-N -1 0 446.459 3.768 50 0 IHAARM CC(C)(C)OC(=O)N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002569782 555787955 /nfs/dbraw/zinc/78/79/55/555787955.db2.gz MJZDTTZGQUEOBL-HXUWFJFHSA-N -1 0 440.496 3.893 50 0 IHAARM CC(C)COc1ccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763976 555905558 /nfs/dbraw/zinc/90/55/58/555905558.db2.gz JEPWBQSITPKTPM-UHFFFAOYSA-N -1 0 434.540 3.961 50 0 IHAARM CC(C)COc1cccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c(=O)[n-]2)c1 ZINC000034765593 555906395 /nfs/dbraw/zinc/90/63/95/555906395.db2.gz AOMJXCGNXQRGIV-UHFFFAOYSA-N -1 0 432.524 3.797 50 0 IHAARM CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)cc1 ZINC000003635186 555942377 /nfs/dbraw/zinc/94/23/77/555942377.db2.gz PWJQFTBYRJJKDM-YKUCYRFJSA-N -1 0 439.467 3.721 50 0 IHAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2I)C[C@H]1C(=O)[O-] ZINC000004241477 555978833 /nfs/dbraw/zinc/97/88/33/555978833.db2.gz HBWLCAGHSYMYMX-RISCZKNCSA-N -1 0 431.270 3.544 50 0 IHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)c(C)cc2OC)cc1 ZINC000006480567 556090660 /nfs/dbraw/zinc/09/06/60/556090660.db2.gz VBFFFCVQRSHQKM-UHFFFAOYSA-N -1 0 428.304 3.744 50 0 IHAARM Clc1ccccc1Cn1ccc([N-]c2nnc(Cn3nnc(-c4ccccc4)n3)s2)n1 ZINC000002730799 556134239 /nfs/dbraw/zinc/13/42/39/556134239.db2.gz MULMQMKDWKFLLN-UHFFFAOYSA-N -1 0 449.931 3.882 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000008837267 556226055 /nfs/dbraw/zinc/22/60/55/556226055.db2.gz WVULKSPCQVQLCU-BUXLTGKBSA-N -1 0 449.632 3.594 50 0 endogenous,in-man IHAARM CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000008994337 556239248 /nfs/dbraw/zinc/23/92/48/556239248.db2.gz LDYCIMGWUGEDON-UHFFFAOYSA-N -1 0 430.511 3.545 50 0 IHAARM COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(C(=O)[O-])cc4)n3C)oc21 ZINC000009260676 556268312 /nfs/dbraw/zinc/26/83/12/556268312.db2.gz RSRWDZNOVDEGPN-UHFFFAOYSA-N -1 0 438.465 3.666 50 0 IHAARM COC(=O)c1c2c(sc1N1C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C1=O)CCCC2 ZINC000012017234 556386672 /nfs/dbraw/zinc/38/66/72/556386672.db2.gz NDANZRMGMZZQKQ-OAHLLOKOSA-N -1 0 445.518 3.536 50 0 IHAARM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1C ZINC000014870112 556452169 /nfs/dbraw/zinc/45/21/69/556452169.db2.gz MMSIPHDGIUZZRD-UHFFFAOYSA-N -1 0 437.370 3.661 50 0 IHAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)cc1 ZINC000030580884 556498407 /nfs/dbraw/zinc/49/84/07/556498407.db2.gz QSWWAGSFOORFLC-UHFFFAOYSA-N -1 0 441.896 3.888 50 0 IHAARM CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000013253423 556500949 /nfs/dbraw/zinc/50/09/49/556500949.db2.gz MVGDPVMNAFAVNQ-UHFFFAOYSA-N -1 0 430.954 3.734 50 0 IHAARM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C ZINC000013568813 556521193 /nfs/dbraw/zinc/52/11/93/556521193.db2.gz ZSFKTMUONHTGQC-HNNXBMFYSA-N -1 0 431.539 3.967 50 0 IHAARM C[C@H](NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)[n-]c1=O)c1ccccc1 ZINC000034768434 556582388 /nfs/dbraw/zinc/58/23/88/556582388.db2.gz CABDFFJACHOXAG-AWEZNQCLSA-N -1 0 430.430 3.997 50 0 IHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033007669 556656419 /nfs/dbraw/zinc/65/64/19/556656419.db2.gz ZTMILWGNXKLNKL-UHFFFAOYSA-N -1 0 428.495 3.954 50 0 IHAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc(OC)c1OC ZINC000061719640 556725829 /nfs/dbraw/zinc/72/58/29/556725829.db2.gz GMGCAJJRMLCDJW-ZDUSSCGKSA-N -1 0 440.427 3.815 50 0 IHAARM Cc1ccc(C(=O)N2CCc3c(=O)n4[n-]c(-c5ccccc5Cl)cc4nc3C2)cc1F ZINC000097942002 556812765 /nfs/dbraw/zinc/81/27/65/556812765.db2.gz PGIHRMSYDLMBKU-UHFFFAOYSA-N -1 0 436.874 3.989 50 0 IHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000008977181 556852204 /nfs/dbraw/zinc/85/22/04/556852204.db2.gz RMGMBXUNQNUERH-UHFFFAOYSA-N -1 0 426.494 3.596 50 0 IHAARM CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2C(=O)[O-])CC1 ZINC000033078732 556853879 /nfs/dbraw/zinc/85/38/79/556853879.db2.gz UZKBZYOPVGMHFE-UHFFFAOYSA-N -1 0 432.318 3.542 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc1 ZINC000033171393 556882413 /nfs/dbraw/zinc/88/24/13/556882413.db2.gz JBDRBNKXOSFSEM-UHFFFAOYSA-N -1 0 438.509 3.831 50 0 IHAARM O=C(Nc1ccc2c(c1)CCC2)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097111180 556990017 /nfs/dbraw/zinc/99/00/17/556990017.db2.gz VHEOUZXFMFOVTK-UHFFFAOYSA-N -1 0 425.492 3.769 50 0 IHAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000023157212 557030162 /nfs/dbraw/zinc/03/01/62/557030162.db2.gz QVPQZNOBNQEQRG-GOSISDBHSA-N -1 0 443.573 3.792 50 0 IHAARM CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000032946658 557033085 /nfs/dbraw/zinc/03/30/85/557033085.db2.gz JWQXQMQZORNWLK-UHFFFAOYSA-N -1 0 431.876 3.569 50 0 IHAARM COc1cccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)c1 ZINC000033303161 557084029 /nfs/dbraw/zinc/08/40/29/557084029.db2.gz FTLIEMXCRRMCAK-VQHVLOKHSA-N -1 0 433.511 3.983 50 0 IHAARM Cc1cccc(-c2nnc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)nn32)c1 ZINC000049002939 557090715 /nfs/dbraw/zinc/09/07/15/557090715.db2.gz XTBUNNQFMSPVEG-UHFFFAOYSA-N -1 0 444.314 3.663 50 0 IHAARM CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191551 557100232 /nfs/dbraw/zinc/10/02/32/557100232.db2.gz FAZYHGOWPHBZOI-UHFFFAOYSA-N -1 0 440.525 3.923 50 0 IHAARM Cc1nc(-c2ccccc2)sc1C(=O)[N-]N1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000023948339 557126943 /nfs/dbraw/zinc/12/69/43/557126943.db2.gz WLGMREMXIXQFAD-QHCPKHFHSA-N -1 0 434.521 3.707 50 0 IHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1-c1cn2cccc(C)c2n1 ZINC000206910344 557166044 /nfs/dbraw/zinc/16/60/44/557166044.db2.gz SXASHCNWIAOLHL-UHFFFAOYSA-N -1 0 427.507 3.959 50 0 IHAARM COc1ccc(N2C(=O)C[C@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000100068865 557226342 /nfs/dbraw/zinc/22/63/42/557226342.db2.gz BNVLTVXSEJWVLD-OAHLLOKOSA-N -1 0 434.477 3.552 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCC(O)CC1)c1cccc(Cl)c1 ZINC000018055166 557234046 /nfs/dbraw/zinc/23/40/46/557234046.db2.gz ODFYKYWRBQVKLH-UHFFFAOYSA-N -1 0 432.933 3.799 50 0 IHAARM COc1ccccc1N1C(=O)C[C@H](c2c(C)[n-]n(-c3nc4ccccc4s3)c2=O)C1=O ZINC000100068888 557239201 /nfs/dbraw/zinc/23/92/01/557239201.db2.gz IULITLOHKGRDSJ-CYBMUJFWSA-N -1 0 434.477 3.552 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101261836 557265376 /nfs/dbraw/zinc/26/53/76/557265376.db2.gz PWJQVMSCNJHKFP-ZWKOTPCHSA-N -1 0 436.859 3.500 50 0 IHAARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=C(NCc2cccc(F)c2)Nc2ccccc2)C1=O ZINC000101382548 557281884 /nfs/dbraw/zinc/28/18/84/557281884.db2.gz FGEMTCRXWAZCCY-DQRAZIAOSA-N -1 0 444.466 3.830 50 0 IHAARM Cc1cccc(CNC(Nc2ccccc2)=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000101382511 557281887 /nfs/dbraw/zinc/28/18/87/557281887.db2.gz MPVVCEIBTPPIKA-DQRAZIAOSA-N -1 0 444.466 3.830 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N(c4ccccc4)c4ccccc4)c=3c2=O)cc1 ZINC000101386971 557282147 /nfs/dbraw/zinc/28/21/47/557282147.db2.gz LLSXUAAKEFTYNQ-XZOQPEGZSA-N -1 0 439.475 3.653 50 0 IHAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1Br ZINC000013345382 557306567 /nfs/dbraw/zinc/30/65/67/557306567.db2.gz OMHXGDXMVXYLRW-UHFFFAOYSA-N -1 0 435.093 3.711 50 0 IHAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c=2c1=O ZINC000102001397 557311665 /nfs/dbraw/zinc/31/16/65/557311665.db2.gz CJBHGYLPCXQRCN-WMZOPIPTSA-N -1 0 446.294 3.542 50 0 IHAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000102747604 557378891 /nfs/dbraw/zinc/37/88/91/557378891.db2.gz ZZEGYUHGFNNAND-XPWALMASSA-N -1 0 429.476 3.922 50 0 IHAARM Cc1cc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)ccc1Br ZINC000102818396 557393437 /nfs/dbraw/zinc/39/34/37/557393437.db2.gz OZRXRWSFMADBQM-ROUUACIJSA-N -1 0 425.286 3.744 50 0 IHAARM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2F)C1 ZINC000102896642 557410678 /nfs/dbraw/zinc/41/06/78/557410678.db2.gz NLKZKYUGBOKYPW-CXAGYDPISA-N -1 0 432.521 3.562 50 0 IHAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3cccc(Br)c3)cc2[n-]c1=S ZINC000103062749 557417679 /nfs/dbraw/zinc/41/76/79/557417679.db2.gz SDSNQKGPKNOMFF-LLVKDONJSA-N -1 0 432.343 3.959 50 0 IHAARM Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3cnn(C)c3)c2)cc1C ZINC000024470836 557418495 /nfs/dbraw/zinc/41/84/95/557418495.db2.gz OBWZGBWRAQMXQR-UHFFFAOYSA-N -1 0 446.960 3.763 50 0 IHAARM COc1ccc(/C=C(/NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000103497601 557437895 /nfs/dbraw/zinc/43/78/95/557437895.db2.gz CNJKNYMSRBTEAR-PXLXIMEGSA-N -1 0 446.459 3.812 50 0 IHAARM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000014870102 557514492 /nfs/dbraw/zinc/51/44/92/557514492.db2.gz OXQTWNCTXTYRHZ-UHFFFAOYSA-N -1 0 437.370 3.661 50 0 IHAARM O=C1N[C@H](c2cccc(C(F)(F)F)c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213482 557523215 /nfs/dbraw/zinc/52/32/15/557523215.db2.gz WRFPKUKAJNLGHY-YWPYICTPSA-N -1 0 438.349 3.871 50 0 IHAARM CC(C)Sc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)cc1)n(C)c(=O)n2C ZINC000045941033 557549473 /nfs/dbraw/zinc/54/94/73/557549473.db2.gz JHFYZXVIEPRAEK-UHFFFAOYSA-N -1 0 425.963 3.832 50 0 IHAARM COc1ccc(Cl)cc1S(=O)(=O)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000045961857 557555327 /nfs/dbraw/zinc/55/53/27/557555327.db2.gz NXWNKBUUHKORRG-UHFFFAOYSA-N -1 0 434.901 3.856 50 0 IHAARM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000675184 557662752 /nfs/dbraw/zinc/66/27/52/557662752.db2.gz YCXHTJUDKURKBK-VQTJNVASSA-N -1 0 446.525 3.716 50 0 IHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NCc1ccccc1Cl)c2=O ZINC000012416136 557835605 /nfs/dbraw/zinc/83/56/05/557835605.db2.gz MGRWWKGTKQTEHF-UHFFFAOYSA-N -1 0 445.928 3.596 50 0 IHAARM COc1ccc(Br)c(CS(=O)(=O)[N-]c2nccnc2-c2ccccc2)c1 ZINC000241409008 557846461 /nfs/dbraw/zinc/84/64/61/557846461.db2.gz NDUCZMWYKLFOAK-UHFFFAOYSA-N -1 0 434.315 3.857 50 0 IHAARM O=C(OCc1cccs1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000004001739 562940631 /nfs/dbraw/zinc/94/06/31/562940631.db2.gz HFEGLUYENROKRX-UHFFFAOYSA-N -1 0 431.491 3.677 50 0 aggregator IHAARM CCCCCCc1c(C)c2ccc(OCC(=O)N3CCC[C@H]3C(=O)[O-])c(C)c2oc1=O ZINC000004073917 562941465 /nfs/dbraw/zinc/94/14/65/562941465.db2.gz DRRLBGGHLHMLTN-IBGZPJMESA-N -1 0 429.513 3.987 50 0 biogenic IHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000006498459 562946890 /nfs/dbraw/zinc/94/68/90/562946890.db2.gz SIUKICZKDVMRTC-UHFFFAOYSA-N -1 0 440.456 3.769 50 0 IHAARM CC(=O)Oc1c(SCC(=O)[O-])cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc21 ZINC000008439342 562949449 /nfs/dbraw/zinc/94/94/49/562949449.db2.gz XXWGOUBBDOVCOB-UHFFFAOYSA-N -1 0 449.481 3.882 50 0 IHAARM C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000084678319 568799712 /nfs/dbraw/zinc/79/97/12/568799712.db2.gz PEZSDRFLJGUZJN-NOZJJQNGSA-N -1 0 435.811 3.812 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc(OC)c1 ZINC000085664624 568833845 /nfs/dbraw/zinc/83/38/45/568833845.db2.gz XEJOSJLHZGZCAZ-UHFFFAOYSA-N -1 0 433.433 3.975 50 0 IHAARM O=C(Nc1ccncc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006140204 568845200 /nfs/dbraw/zinc/84/52/00/568845200.db2.gz QVQNWPLOSIFNAC-UHFFFAOYSA-N -1 0 432.299 3.897 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2)n1 ZINC000001771861 568906155 /nfs/dbraw/zinc/90/61/55/568906155.db2.gz QHVXOMVOHVFUEL-UHFFFAOYSA-N -1 0 439.522 3.756 50 0 IHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc2c1C ZINC000026772137 568916696 /nfs/dbraw/zinc/91/66/96/568916696.db2.gz VJQGTGBVHYGNCT-HXUWFJFHSA-N -1 0 433.460 3.819 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)[n-]c1=O ZINC000064774890 568954208 /nfs/dbraw/zinc/95/42/08/568954208.db2.gz SOHHECYEHRXNSH-UHFFFAOYSA-N -1 0 445.451 3.602 50 0 IHAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OCC(N)=O)cc2)CC(=O)N3)cc1 ZINC000064796130 568960049 /nfs/dbraw/zinc/96/00/49/568960049.db2.gz VOXFGPHQZAPMAA-INIZCTEOSA-N -1 0 436.489 3.760 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064952115 568997303 /nfs/dbraw/zinc/99/73/03/568997303.db2.gz RKWWRNCILQBSAA-UHFFFAOYSA-N -1 0 426.947 3.998 50 0 IHAARM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(Cc2cccs2)CC1 ZINC000036360669 569086557 /nfs/dbraw/zinc/08/65/57/569086557.db2.gz ABXSRYKYJSVDIY-NRFANRHFSA-N -1 0 440.569 3.767 50 0 IHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1 ZINC000065021040 569088669 /nfs/dbraw/zinc/08/86/69/569088669.db2.gz JAYHSCVJOHTZAT-UHFFFAOYSA-N -1 0 432.542 3.785 50 0 IHAARM COc1cccc(NC(=O)C[C@@H](c2ccc(OC)c(O)c2)c2c([O-])cc(C)oc2=O)c1 ZINC000253471631 569094756 /nfs/dbraw/zinc/09/47/56/569094756.db2.gz WLNWQFBTYJLYEM-KRWDZBQOSA-N -1 0 425.437 3.537 50 0 IHAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000036413145 569105424 /nfs/dbraw/zinc/10/54/24/569105424.db2.gz RTMBCDLUAITJCY-VQTJNVASSA-N -1 0 428.510 3.507 50 0 IHAARM CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000037019035 569139625 /nfs/dbraw/zinc/13/96/25/569139625.db2.gz URNYVXMPGAGPHS-WUFNSSIPSA-N -1 0 441.509 3.734 50 0 IHAARM O=C(N[C@@H](c1nnn[n-]1)c1cc(F)ccc1F)c1csc(-c2cccc(Cl)c2)n1 ZINC000065552477 569139686 /nfs/dbraw/zinc/13/96/86/569139686.db2.gz NCOOGLAYUUNVPC-OAHLLOKOSA-N -1 0 432.843 3.774 50 0 IHAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 ZINC000013575795 569155793 /nfs/dbraw/zinc/15/57/93/569155793.db2.gz MHAQBURIKKXPNJ-MOSHPQCFSA-N -1 0 434.423 3.942 50 0 IHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](C(=O)[O-])C(C)C)oc1c3CCCC1 ZINC000002155743 569187561 /nfs/dbraw/zinc/18/75/61/569187561.db2.gz SKUPYTZNAJAAGN-QFIPXVFZSA-N -1 0 425.481 3.884 50 0 biogenic IHAARM CCc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2c2nc(O)c(CC(=O)[O-])s2)cc1 ZINC000252492351 569187887 /nfs/dbraw/zinc/18/78/87/569187887.db2.gz MJQAFDCFWMUFLY-UXHICEINSA-N -1 0 437.521 3.881 50 0 IHAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000010273598 569217089 /nfs/dbraw/zinc/21/70/89/569217089.db2.gz AUCZVAMQLCTTNC-ROUUACIJSA-N -1 0 439.834 3.936 50 0 IHAARM O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCc1ccco1 ZINC000253470976 569282541 /nfs/dbraw/zinc/28/25/41/569282541.db2.gz JHSXKEGBEJYPMC-QGZVFWFLSA-N -1 0 433.416 3.659 50 0 IHAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(NCCc4ccccc4)c(Cl)c1=O)(C3)C2 ZINC000002354719 569285787 /nfs/dbraw/zinc/28/57/87/569285787.db2.gz SQNYUQZVNJIZKC-WDXRGRCHSA-N -1 0 427.932 3.931 50 0 IHAARM COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)ccc1NC(C)=O ZINC000013075238 569309229 /nfs/dbraw/zinc/30/92/29/569309229.db2.gz CGLWBTVBOCAORH-UHFFFAOYSA-N -1 0 439.493 3.707 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000013117404 569311027 /nfs/dbraw/zinc/31/10/27/569311027.db2.gz JAHTYAGUDCPIFH-UHFFFAOYSA-N -1 0 440.525 3.582 50 0 IHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 ZINC000013360903 569314021 /nfs/dbraw/zinc/31/40/21/569314021.db2.gz HZSHJXBUUVWNDV-IBGZPJMESA-N -1 0 433.526 3.590 50 0 IHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000078610328 569316525 /nfs/dbraw/zinc/31/65/25/569316525.db2.gz JAOUKTJARXAJCX-QGZVFWFLSA-N -1 0 447.315 3.718 50 0 IHAARM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)cc1Cl ZINC000328594012 569317436 /nfs/dbraw/zinc/31/74/36/569317436.db2.gz ILIZHOIJHDRSHY-UHFFFAOYSA-N -1 0 446.356 3.815 50 0 IHAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3c(-c4ccccc4)nc4c(C)cccn34)cc12 ZINC000079046585 569323116 /nfs/dbraw/zinc/32/31/16/569323116.db2.gz ZRMXUHBEJJPXAB-UHFFFAOYSA-N -1 0 432.509 3.701 50 0 IHAARM Cc1cc(C(=O)N2CCN(c3ccccc3)C[C@H]2C)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000095456684 569368837 /nfs/dbraw/zinc/36/88/37/569368837.db2.gz JZPBVXKMBDAYGL-OAHLLOKOSA-N -1 0 441.475 3.607 50 0 IHAARM COc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)c(OC)c1OC ZINC000095463951 569370437 /nfs/dbraw/zinc/37/04/37/569370437.db2.gz OGHJCJFWSIDMRS-QGZVFWFLSA-N -1 0 433.526 3.699 50 0 IHAARM CN1C(=O)C[C@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])[C@H]1c1ccccc1 ZINC000096003279 569379015 /nfs/dbraw/zinc/37/90/15/569379015.db2.gz FCEAZKIXXZXBOX-SJKOYZFVSA-N -1 0 437.721 3.758 50 0 IHAARM COc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000096035246 569380858 /nfs/dbraw/zinc/38/08/58/569380858.db2.gz XQGTYOGYOHIWBB-KTKRTIGZSA-N -1 0 426.288 3.877 50 0 IHAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000096361093 569397594 /nfs/dbraw/zinc/39/75/94/569397594.db2.gz CHDOOEOASJCXCA-UHFFFAOYSA-N -1 0 449.330 3.842 50 0 IHAARM CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ccsc3c(=O)n2CC(=O)[O-])cc1 ZINC000002932820 569426220 /nfs/dbraw/zinc/42/62/20/569426220.db2.gz SRTZICHIIZEXMH-OAHLLOKOSA-N -1 0 431.539 3.614 50 0 IHAARM CCOc1ccc2nc(SCC(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])sc2c1 ZINC000003298221 569444875 /nfs/dbraw/zinc/44/48/75/569444875.db2.gz XQHMLPFTPHUSLM-QGZVFWFLSA-N -1 0 428.535 3.825 50 0 IHAARM CCN(C(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000003346585 569447127 /nfs/dbraw/zinc/44/71/27/569447127.db2.gz TZOUXIGSQKZTBS-UHFFFAOYSA-N -1 0 444.534 3.759 50 0 IHAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000003448188 569451446 /nfs/dbraw/zinc/45/14/46/569451446.db2.gz ZLWNLSRSVYJWJN-UHFFFAOYSA-N -1 0 437.568 3.868 50 0 IHAARM CCN(CC)C(=O)COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000031721157 569457077 /nfs/dbraw/zinc/45/70/77/569457077.db2.gz XOPASZZTFJWZPS-UHFFFAOYSA-N -1 0 432.876 3.666 50 0 IHAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2cccs2)CC1 ZINC000032103141 569460205 /nfs/dbraw/zinc/46/02/05/569460205.db2.gz YDFXSCCQVKGTOK-SFHVURJKSA-N -1 0 434.359 3.935 50 0 IHAARM O=C([O-])c1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)OC34CCCCC4)cc2)cc1 ZINC000008768212 569474960 /nfs/dbraw/zinc/47/49/60/569474960.db2.gz CRMXJUXOOZHGSQ-LJQANCHMSA-N -1 0 436.464 3.842 50 0 IHAARM Cc1ccc(NC(NCc2ccco2)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000008777889 569475440 /nfs/dbraw/zinc/47/54/40/569475440.db2.gz OMFOQKRIGVKLGP-DQRAZIAOSA-N -1 0 444.491 3.901 50 0 IHAARM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](CCSC)C(=O)[O-])CC2 ZINC000008878351 569481264 /nfs/dbraw/zinc/48/12/64/569481264.db2.gz YNXOANUOEUPDPD-GHTZIAJQSA-N -1 0 444.553 3.567 50 0 biogenic IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1 ZINC000008961018 569490926 /nfs/dbraw/zinc/49/09/26/569490926.db2.gz ZVFVQEAFGKWBKH-UHFFFAOYSA-N -1 0 440.477 3.887 50 0 IHAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008978926 569493042 /nfs/dbraw/zinc/49/30/42/569493042.db2.gz WHUGVZKRNNODKC-UHFFFAOYSA-N -1 0 431.495 3.542 50 0 IHAARM COc1cccc(CCNC(=O)c2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2C)c1 ZINC000008978946 569493064 /nfs/dbraw/zinc/49/30/64/569493064.db2.gz FJBNWBRLZGTZRG-UHFFFAOYSA-N -1 0 445.566 3.542 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n([C@@H](C)c2ccccc2)c1=O ZINC000009042223 569497777 /nfs/dbraw/zinc/49/77/77/569497777.db2.gz OAWQTLWJWDGFMD-OYHNWAKOSA-N -1 0 430.508 3.713 50 0 biogenic IHAARM COC(=O)[C@]([N-]c1nc2ccc(F)cc2s1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000009044093 569497993 /nfs/dbraw/zinc/49/79/93/569497993.db2.gz TYLDHSYLWFPOCY-GOSISDBHSA-N -1 0 441.406 3.638 50 0 IHAARM Cc1cnc([N-]S(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)nc1 ZINC000009089587 569500922 /nfs/dbraw/zinc/50/09/22/569500922.db2.gz NOZIDQYOPJRZGN-UHFFFAOYSA-N -1 0 426.542 3.741 50 0 IHAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2OCC(C)(C)C1=O ZINC000009167392 569509010 /nfs/dbraw/zinc/50/90/10/569509010.db2.gz TWNYNUYEMFKDEX-UHFFFAOYSA-N -1 0 448.541 3.666 50 0 IHAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2OCC(C)(C)C1=O ZINC000009167599 569509028 /nfs/dbraw/zinc/50/90/28/569509028.db2.gz CEBACUQMVXTVKY-UHFFFAOYSA-N -1 0 432.542 3.966 50 0 IHAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000009300270 569520642 /nfs/dbraw/zinc/52/06/42/569520642.db2.gz MVTTYMLHUIQJKZ-UHFFFAOYSA-N -1 0 432.885 3.708 50 0 IHAARM O=C(CCn1ccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009338361 569523634 /nfs/dbraw/zinc/52/36/34/569523634.db2.gz BKBLFCZIGRZOSZ-UHFFFAOYSA-N -1 0 426.523 3.927 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cncn1-c1ccc(F)cc1 ZINC000009378468 569527610 /nfs/dbraw/zinc/52/76/10/569527610.db2.gz WCPIGRFDKVSZLN-UHFFFAOYSA-N -1 0 443.485 3.521 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(N)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000009421770 569532747 /nfs/dbraw/zinc/53/27/47/569532747.db2.gz SRTANULMBGTSHL-UHFFFAOYSA-N -1 0 446.945 3.736 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)on1 ZINC000009637813 569554886 /nfs/dbraw/zinc/55/48/86/569554886.db2.gz YEDXLVMUADDSKK-UHFFFAOYSA-N -1 0 434.445 3.775 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(C)ccc3OC)c2)on1 ZINC000009637876 569554931 /nfs/dbraw/zinc/55/49/31/569554931.db2.gz ZEWJAAUKJKTTOT-UHFFFAOYSA-N -1 0 446.481 3.645 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)on1 ZINC000009637865 569554952 /nfs/dbraw/zinc/55/49/52/569554952.db2.gz FVHLUCNNCAMLTB-UHFFFAOYSA-N -1 0 434.445 3.775 50 0 IHAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000009675433 569559270 /nfs/dbraw/zinc/55/92/70/569559270.db2.gz JLZNOXSVPIHHGH-OALUTQOASA-N -1 0 443.866 3.534 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009739423 569565006 /nfs/dbraw/zinc/56/50/06/569565006.db2.gz OOBAMNSKZQQHEG-UHFFFAOYSA-N -1 0 427.457 3.837 50 0 IHAARM Cc1ccccc1NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009739298 569565054 /nfs/dbraw/zinc/56/50/54/569565054.db2.gz DRIMCUFDLGEZOI-UHFFFAOYSA-N -1 0 442.468 3.730 50 0 IHAARM O=S(=O)([N-]c1ccc(N2CCCCS2(=O)=O)cc1)c1cc(Cl)ccc1Cl ZINC000010213426 132243547 /nfs/dbraw/zinc/24/35/47/132243547.db2.gz MJHBLBJXFNLQNW-UHFFFAOYSA-N -1 0 435.354 3.724 50 0 IHAARM CCC(Nc1cc(OC)ccc1OC)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009012488 132300704 /nfs/dbraw/zinc/30/07/04/132300704.db2.gz GCLPIHLANUSPLF-OBGWFSINSA-N -1 0 429.860 3.716 50 0 IHAARM CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000012137046 520475406 /nfs/dbraw/zinc/47/54/06/520475406.db2.gz GTXNMUBJYPKRSJ-UHFFFAOYSA-N -1 0 440.525 3.935 50 0 IHAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(S(=O)(=O)c1ccccc1C)CC2 ZINC000021046219 520799586 /nfs/dbraw/zinc/79/95/86/520799586.db2.gz ATEBPOJZFSLGAM-SFHVURJKSA-N -1 0 433.526 3.555 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000012584605 520862705 /nfs/dbraw/zinc/86/27/05/520862705.db2.gz RGJLBXZDJUOFKD-UHFFFAOYSA-N -1 0 439.331 3.997 50 0 IHAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)NC2CCCC2)cc1 ZINC000012757321 521208008 /nfs/dbraw/zinc/20/80/08/521208008.db2.gz XUKQQCVFOBBIQD-UHFFFAOYSA-N -1 0 448.541 3.576 50 0 IHAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)nc2sc3cc(C)ccc3n2c1=O ZINC000021883984 521554211 /nfs/dbraw/zinc/55/42/11/521554211.db2.gz GQKRGSCWNHRAQQ-UHFFFAOYSA-N -1 0 429.523 3.726 50 0 IHAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000012521401 521777324 /nfs/dbraw/zinc/77/73/24/521777324.db2.gz SRLUSWSZLRNVMJ-UHFFFAOYSA-N -1 0 434.695 3.683 50 0 IHAARM CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000012891052 521964323 /nfs/dbraw/zinc/96/43/23/521964323.db2.gz LBFDNUQRUTVLLN-RXYZOABWSA-N -1 0 426.513 3.860 50 0 biogenic IHAARM COCCn1c2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617281 522077428 /nfs/dbraw/zinc/07/74/28/522077428.db2.gz FDZSKFVAYSNUHB-UHFFFAOYSA-N -1 0 426.281 3.772 50 0 IHAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000012584535 522158683 /nfs/dbraw/zinc/15/86/83/522158683.db2.gz BXBNENYIDMFBQW-UHFFFAOYSA-N -1 0 428.432 3.893 50 0 IHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(Cl)ccc1OCC(F)(F)F ZINC000022609059 522452736 /nfs/dbraw/zinc/45/27/36/522452736.db2.gz QEOLBVHLOQFVDB-UHFFFAOYSA-N -1 0 429.825 3.930 50 0 IHAARM COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)ccc1OCC(=O)[O-] ZINC000012532698 522929018 /nfs/dbraw/zinc/92/90/18/522929018.db2.gz OYVLMCGEZBGVQP-HSZRJFAPSA-N -1 0 448.431 3.658 50 0 IHAARM COc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000012382156 523617650 /nfs/dbraw/zinc/61/76/50/523617650.db2.gz CTGZBGWJJCSXLU-ACSPXDACSA-N -1 0 444.915 3.735 50 0 IHAARM COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000012382138 523618096 /nfs/dbraw/zinc/61/80/96/523618096.db2.gz MPZONDYNWUDGDA-ACSPXDACSA-N -1 0 444.915 3.735 50 0 IHAARM CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000012137194 524008308 /nfs/dbraw/zinc/00/83/08/524008308.db2.gz LNCUCTFUKGTOBF-HNNXBMFYSA-N -1 0 429.498 3.752 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CCc2ccccc2)c1 ZINC000012630241 524643837 /nfs/dbraw/zinc/64/38/37/524643837.db2.gz RYLUFKIGMLGZEP-UHFFFAOYSA-N -1 0 426.494 3.773 50 0 IHAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022784263 525214830 /nfs/dbraw/zinc/21/48/30/525214830.db2.gz WSCZZVYCTJGVJC-NRFANRHFSA-N -1 0 449.580 3.721 50 0 IHAARM CSCC[C@H](NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)C(=O)[O-] ZINC000020739125 525589640 /nfs/dbraw/zinc/58/96/40/525589640.db2.gz ATGKLKXZSJWQPJ-ZDUSSCGKSA-N -1 0 434.461 3.574 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1C ZINC000012544788 525620543 /nfs/dbraw/zinc/62/05/43/525620543.db2.gz XETQDJDRQVRDMF-UHFFFAOYSA-N -1 0 434.583 3.517 50 0 IHAARM O=C(CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1)NCc1ccc(Cl)cc1 ZINC000021531437 526393966 /nfs/dbraw/zinc/39/39/66/526393966.db2.gz KSXHRJPHRJUCCS-UHFFFAOYSA-N -1 0 445.850 3.777 50 0 IHAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000012508195 526521262 /nfs/dbraw/zinc/52/12/62/526521262.db2.gz WBNTVRSEGPRTAJ-JTQLQIEISA-N -1 0 435.354 3.765 50 0 IHAARM O=S(=O)([N-]c1cccc(Cl)c1N1CCOCC1)c1ccccc1Br ZINC000012606752 527253401 /nfs/dbraw/zinc/25/34/01/527253401.db2.gz VGKTZOSSNOYRLG-UHFFFAOYSA-N -1 0 431.739 3.740 50 0 IHAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1cccc(-c2ccnc3cc(-c4ccccc4)nn32)c1 ZINC000020616727 527568819 /nfs/dbraw/zinc/56/88/19/527568819.db2.gz HUWIOGCDTPLYOA-UHFFFAOYSA-N -1 0 438.447 3.747 50 0 IHAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1 ZINC000000657746 555525713 /nfs/dbraw/zinc/52/57/13/555525713.db2.gz XPGFZAOHIWGZOK-YBFXNURJSA-N -1 0 430.416 3.523 50 0 IHAARM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000000683052 555538557 /nfs/dbraw/zinc/53/85/57/555538557.db2.gz YGUQSEAHSPBQTF-QGZVFWFLSA-N -1 0 440.525 3.609 50 0 IHAARM COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1OC ZINC000000692586 555541951 /nfs/dbraw/zinc/54/19/51/555541951.db2.gz HUKPMNMGLZPPTA-UHFFFAOYSA-N -1 0 434.448 3.836 50 0 IHAARM COc1ccc(C[C@@H](CC(=O)Nc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000000783550 555555532 /nfs/dbraw/zinc/55/55/32/555555532.db2.gz LTYMYLLTRHNYDT-ZDUSSCGKSA-N -1 0 439.249 3.572 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)no1 ZINC000000953392 555589772 /nfs/dbraw/zinc/58/97/72/555589772.db2.gz BKKSNLNSQAGBGR-UHFFFAOYSA-N -1 0 436.287 3.799 50 0 IHAARM O=C([O-])CCCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000000993365 555597730 /nfs/dbraw/zinc/59/77/30/555597730.db2.gz MSYQKDSHZRWZLQ-UHFFFAOYSA-N -1 0 448.269 3.682 50 0 IHAARM CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000001028416 555604986 /nfs/dbraw/zinc/60/49/86/555604986.db2.gz RLZMYBHOSBKWNR-UHFFFAOYSA-N -1 0 434.558 3.684 50 0 IHAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)[O-])c(Cl)cc1Cl ZINC000001136757 555647151 /nfs/dbraw/zinc/64/71/51/555647151.db2.gz HVIABODDWIIFPZ-UHFFFAOYSA-N -1 0 445.324 3.974 50 0 IHAARM COc1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1OC ZINC000001148284 555654969 /nfs/dbraw/zinc/65/49/69/555654969.db2.gz AFTPUMXDMHNQJQ-UHFFFAOYSA-N -1 0 434.448 3.836 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000001221179 555686010 /nfs/dbraw/zinc/68/60/10/555686010.db2.gz SAPQNNGAIHFCSH-CCQQUTMYSA-N -1 0 429.859 3.975 50 0 IHAARM CC(C)(C)OC(=O)NCCN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002392280 555775187 /nfs/dbraw/zinc/77/51/87/555775187.db2.gz SMLJSDLXJRGOKW-UHFFFAOYSA-N -1 0 440.496 3.847 50 0 IHAARM Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(Br)cc1 ZINC000002861327 555844742 /nfs/dbraw/zinc/84/47/42/555844742.db2.gz RMBYXYGWJSFZQU-UHFFFAOYSA-N -1 0 447.314 3.674 50 0 IHAARM CC(C)CC(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002923979 555863485 /nfs/dbraw/zinc/86/34/85/555863485.db2.gz BUJBMVXANKABRS-CYBMUJFWSA-N -1 0 426.753 3.530 50 0 IHAARM COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000006732294 556102563 /nfs/dbraw/zinc/10/25/63/556102563.db2.gz HSSIJAFAYFFVJM-KOLYXTFFSA-N -1 0 435.841 3.896 50 0 IHAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1C ZINC000002804614 556143060 /nfs/dbraw/zinc/14/30/60/556143060.db2.gz YSDBFIOFEZZZLH-UHFFFAOYSA-N -1 0 427.452 3.708 50 0 IHAARM COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)[N-]n4c(C)cc(C)cc4=O)c3n2)cc1 ZINC000002792498 556144322 /nfs/dbraw/zinc/14/43/22/556144322.db2.gz WTCGJNNYCVTJPN-UHFFFAOYSA-N -1 0 439.422 3.505 50 0 IHAARM CCOC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000002988081 556153889 /nfs/dbraw/zinc/15/38/89/556153889.db2.gz AORGFGOBXWQWRF-WQRHYEAKSA-N -1 0 441.461 3.563 50 0 IHAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2s1 ZINC000013690661 556280024 /nfs/dbraw/zinc/28/00/24/556280024.db2.gz HNAGAKDEEXJGQG-UHFFFAOYSA-N -1 0 431.417 3.819 50 0 IHAARM O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000009833235 556312673 /nfs/dbraw/zinc/31/26/73/556312673.db2.gz UIUBIZQIHWQRLB-YWPYICTPSA-N -1 0 438.349 3.871 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1C(C)C ZINC000013945741 556342652 /nfs/dbraw/zinc/34/26/52/556342652.db2.gz PAMWYJGKERSJIJ-UHFFFAOYSA-N -1 0 439.537 3.944 50 0 IHAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]N1C(=O)NC2(CCC(C)CC2)C1=O ZINC000014701165 556433201 /nfs/dbraw/zinc/43/32/01/556433201.db2.gz YSGKAUPQGKJHEA-UHFFFAOYSA-N -1 0 432.933 3.917 50 0 IHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(Cl)c1 ZINC000013041584 556447821 /nfs/dbraw/zinc/44/78/21/556447821.db2.gz WFXQNRHTWGHOIA-UHFFFAOYSA-N -1 0 428.963 3.706 50 0 IHAARM COC(=O)c1occc1COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000032865956 556451375 /nfs/dbraw/zinc/45/13/75/556451375.db2.gz VCWMECQSAJWCDM-UHFFFAOYSA-N -1 0 449.868 3.877 50 0 IHAARM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)ccc2N1 ZINC000014870970 556452137 /nfs/dbraw/zinc/45/21/37/556452137.db2.gz DDKWRMLEYOTQLT-UHFFFAOYSA-N -1 0 436.415 3.577 50 0 IHAARM COc1ccc(S(=O)(=O)Nc2cc(F)c(OC(C)(C)C)cc2C(=O)[O-])cc1OC ZINC000072301089 556524076 /nfs/dbraw/zinc/52/40/76/556524076.db2.gz USSHXFSIJQWXIC-UHFFFAOYSA-N -1 0 427.450 3.519 50 0 IHAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000013593122 556530976 /nfs/dbraw/zinc/53/09/76/556530976.db2.gz QENPRGBJPUOUSO-UHFFFAOYSA-N -1 0 428.847 3.982 50 0 IHAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C ZINC000032903689 556539967 /nfs/dbraw/zinc/53/99/67/556539967.db2.gz KVMBYGUGSPGPDW-UHFFFAOYSA-N -1 0 436.493 3.526 50 0 IHAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015756080 556548464 /nfs/dbraw/zinc/54/84/64/556548464.db2.gz RAQNTIYPSMEBCI-UHFFFAOYSA-N -1 0 443.912 3.753 50 0 IHAARM Cc1nn(-c2ccccc2)c2[nH]c3nc(=O)[n-]c(=O)c-3c(-c3ccc(Br)cc3)c12 ZINC000013682332 556557327 /nfs/dbraw/zinc/55/73/27/556557327.db2.gz MCOXLZAODDHSER-UHFFFAOYSA-N -1 0 448.280 3.688 50 0 IHAARM O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000032962274 556580892 /nfs/dbraw/zinc/58/08/92/556580892.db2.gz OMYZOMGDXJFZGX-INIZCTEOSA-N -1 0 449.598 3.559 50 0 IHAARM O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000032962146 556581240 /nfs/dbraw/zinc/58/12/40/556581240.db2.gz FPTLUPZJVLHFSE-UHFFFAOYSA-N -1 0 449.598 3.702 50 0 IHAARM CN(CCOc1ccccc1F)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000016112541 556583573 /nfs/dbraw/zinc/58/35/73/556583573.db2.gz BXJPSMIVBZIKRV-UHFFFAOYSA-N -1 0 434.514 3.839 50 0 IHAARM COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000017100259 556665163 /nfs/dbraw/zinc/66/51/63/556665163.db2.gz DAWPUDBSOLAEMD-WDEREUQCSA-N -1 0 436.511 3.678 50 0 IHAARM COC(=O)c1cnccc1[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000252484782 556690160 /nfs/dbraw/zinc/69/01/60/556690160.db2.gz GHLCYIQQNFLBCU-UHFFFAOYSA-N -1 0 440.102 3.738 50 0 IHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)c(OC)c1 ZINC000061720533 556728070 /nfs/dbraw/zinc/72/80/70/556728070.db2.gz XWSDPWBSRAFJCX-MRXNPFEDSA-N -1 0 428.391 3.945 50 0 IHAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N3CCCCC3)oc2C)cc1 ZINC000097940906 556810688 /nfs/dbraw/zinc/81/06/88/556810688.db2.gz CGNZNZYQUYCADX-UHFFFAOYSA-N -1 0 442.541 3.967 50 0 IHAARM CCn1cc(S(=O)(=O)[N-]c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cn1 ZINC000019645675 556840110 /nfs/dbraw/zinc/84/01/10/556840110.db2.gz AEYUIPUGMISJTJ-UHFFFAOYSA-N -1 0 447.357 3.586 50 0 IHAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1)c1cccs1 ZINC000033122904 556864044 /nfs/dbraw/zinc/86/40/44/556864044.db2.gz WCTRVKBFUVEERX-UHFFFAOYSA-N -1 0 427.463 3.995 50 0 IHAARM Cn1c2cc([N-]S(=O)(=O)c3cccc(F)c3)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046009564 557019816 /nfs/dbraw/zinc/01/98/16/557019816.db2.gz DZDSAYNQVZREJH-UHFFFAOYSA-N -1 0 427.457 3.609 50 0 IHAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1-c1nc(CC)no1 ZINC000046020151 557020770 /nfs/dbraw/zinc/02/07/70/557020770.db2.gz VWGVNBFAMUPAFE-UHFFFAOYSA-N -1 0 433.486 3.516 50 0 IHAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000023157039 557029907 /nfs/dbraw/zinc/02/99/07/557029907.db2.gz KBVFGQXDEVQCEJ-HFAKWTLXSA-N -1 0 437.363 3.766 50 0 IHAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157426 557030676 /nfs/dbraw/zinc/03/06/76/557030676.db2.gz STGJXGFNKBZXAR-IBGZPJMESA-N -1 0 441.507 3.995 50 0 IHAARM COC(=O)[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(OCc2ccccc2)c(OC)c1 ZINC000023477826 557093838 /nfs/dbraw/zinc/09/38/38/557093838.db2.gz YEKVZAKVZRFNLY-JOCHJYFZSA-N -1 0 449.459 3.617 50 0 IHAARM CCCc1cc(C(=O)OC)c(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)s1 ZINC000017877405 557127246 /nfs/dbraw/zinc/12/72/46/557127246.db2.gz HDOOPWYBCNJGON-HNNXBMFYSA-N -1 0 433.507 3.610 50 0 IHAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000024259645 557142075 /nfs/dbraw/zinc/14/20/75/557142075.db2.gz AWWWLZQZCXVTSV-INIZCTEOSA-N -1 0 438.505 3.765 50 0 IHAARM O=S(=O)([N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cccc(C(F)(F)F)c1 ZINC000206847235 557166415 /nfs/dbraw/zinc/16/64/15/557166415.db2.gz OFAGMFAGANFVTD-OAHLLOKOSA-N -1 0 439.415 3.543 50 0 IHAARM CCCc1nnc(SC[C@H](O)COc2ccc(-c3ccccc3)cc2)n1CC(=O)[O-] ZINC000025067075 557194274 /nfs/dbraw/zinc/19/42/74/557194274.db2.gz QGZRIGIUWIGMPC-GOSISDBHSA-N -1 0 427.526 3.514 50 0 IHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H](c2ccc(Br)cc2)C1 ZINC000101071652 557225230 /nfs/dbraw/zinc/22/52/30/557225230.db2.gz CRZPTEJIETVNMY-QGZVFWFLSA-N -1 0 439.269 3.881 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N(c4ccccc4)c4ccccc4)c=3c2=O)cc1 ZINC000101386964 557282174 /nfs/dbraw/zinc/28/21/74/557282174.db2.gz LLSXUAAKEFTYNQ-GOTSBHOMSA-N -1 0 439.475 3.653 50 0 IHAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(OCC)cc3)C2)c([O-])[nH]c1=S ZINC000101456331 557286782 /nfs/dbraw/zinc/28/67/82/557286782.db2.gz WZNWIFJFWUCQFZ-KRWDZBQOSA-N -1 0 430.530 3.508 50 0 IHAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OCC)cc3)C2)c([O-])[nH]c1=S ZINC000101456334 557287183 /nfs/dbraw/zinc/28/71/83/557287183.db2.gz WZNWIFJFWUCQFZ-QGZVFWFLSA-N -1 0 430.530 3.508 50 0 IHAARM CCOc1cccc(CNC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c1 ZINC000101722639 557294711 /nfs/dbraw/zinc/29/47/11/557294711.db2.gz JAACSRYMIBPSNA-UHFFFAOYSA-N -1 0 433.439 3.559 50 0 IHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H](c2ccccc2Br)C1 ZINC000101836777 557303205 /nfs/dbraw/zinc/30/32/05/557303205.db2.gz LWASWYRDRRULON-QGZVFWFLSA-N -1 0 439.269 3.881 50 0 IHAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)c1 ZINC000101893223 557306107 /nfs/dbraw/zinc/30/61/07/557306107.db2.gz TVUGXNSNLUQMCS-PMACEKPBSA-N -1 0 430.468 3.662 50 0 IHAARM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cnc3c(Br)cccn23)c1 ZINC000328594156 557338633 /nfs/dbraw/zinc/33/86/33/557338633.db2.gz VOHWNESHNPPWSC-UHFFFAOYSA-N -1 0 445.136 3.969 50 0 IHAARM Cc1oc(-c2ccc(Cl)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102479082 557340213 /nfs/dbraw/zinc/34/02/13/557340213.db2.gz PKPIKZQNILOOGZ-MSOLQXFVSA-N -1 0 439.834 3.936 50 0 IHAARM COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102710685 557364542 /nfs/dbraw/zinc/36/45/42/557364542.db2.gz QVKLBFGOEMTFQC-DNVJHFABSA-N -1 0 430.460 3.760 50 0 IHAARM COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102710680 557364711 /nfs/dbraw/zinc/36/47/11/557364711.db2.gz QVKLBFGOEMTFQC-YTFSRNRJSA-N -1 0 430.460 3.760 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCc3ccccc3Cl)cs2)cc1 ZINC000011693234 557390632 /nfs/dbraw/zinc/39/06/32/557390632.db2.gz HTBDGTOTFAOWAU-UHFFFAOYSA-N -1 0 437.930 3.536 50 0 IHAARM COc1ccc2nc(-c3ccc(OC)c([N-]S(=O)(=O)c4cc(C)cc(C)c4)c3)cn2n1 ZINC000011693563 557391250 /nfs/dbraw/zinc/39/12/50/557391250.db2.gz QMHWLIDFLFARMQ-UHFFFAOYSA-N -1 0 438.509 3.831 50 0 IHAARM O=C(NCc1cccnc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000033540855 557409395 /nfs/dbraw/zinc/40/93/95/557409395.db2.gz LDXDSIRFKGHTLE-UHFFFAOYSA-N -1 0 436.924 3.712 50 0 IHAARM CCOC(=O)C(=C(O)CSc1nncn1-c1cccc(Cl)c1)c1nc(C)cs1 ZINC000103034935 557415951 /nfs/dbraw/zinc/41/59/51/557415951.db2.gz DMTYLTZTWHQVNU-OAHLLOKOSA-N -1 0 436.946 3.694 50 0 IHAARM CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000103187957 557425882 /nfs/dbraw/zinc/42/58/82/557425882.db2.gz DMTOWFDANFMRDL-XPWALMASSA-N -1 0 442.471 3.914 50 0 IHAARM O=C(N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000103617254 557439219 /nfs/dbraw/zinc/43/92/19/557439219.db2.gz IRCJDYXNJUGFCF-GOSISDBHSA-N -1 0 433.489 3.580 50 0 IHAARM CCN(CCCNC(=O)CCCn1c(=O)c2sccc2[n-]c1=S)c1ccccc1 ZINC000102752107 557458373 /nfs/dbraw/zinc/45/83/73/557458373.db2.gz UVLBBOQAZATJRS-UHFFFAOYSA-N -1 0 430.599 3.934 50 0 IHAARM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000001088064 557713895 /nfs/dbraw/zinc/71/38/95/557713895.db2.gz YCXHTJUDKURKBK-WOJBJXKFSA-N -1 0 446.525 3.716 50 0 IHAARM Cc1[nH]nc(NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)c1-c1ccncc1 ZINC000225411398 557719710 /nfs/dbraw/zinc/71/97/10/557719710.db2.gz XJBFCGGGUHBUEK-UHFFFAOYSA-N -1 0 448.552 3.978 50 0 IHAARM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc21 ZINC000040450144 557733509 /nfs/dbraw/zinc/73/35/09/557733509.db2.gz CMGAYBKJDVKEIV-UHFFFAOYSA-N -1 0 429.723 3.812 50 0 IHAARM CCOC(=O)c1csc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000225606583 557750673 /nfs/dbraw/zinc/75/06/73/557750673.db2.gz OXZLFGAGKQNYEP-UHFFFAOYSA-N -1 0 443.703 3.676 50 0 IHAARM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2nccc(Oc3ccccc3)n2)cc1Cl ZINC000225743502 557771764 /nfs/dbraw/zinc/77/17/64/557771764.db2.gz IJPOJDJWKVFNRD-UHFFFAOYSA-N -1 0 436.852 3.821 50 0 IHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)s1 ZINC000000888842 557856941 /nfs/dbraw/zinc/85/69/41/557856941.db2.gz NUXXDTQFJFCQCC-UHFFFAOYSA-N -1 0 446.554 3.941 50 0 IHAARM CCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)ccc12 ZINC000002115758 562925871 /nfs/dbraw/zinc/92/58/71/562925871.db2.gz ZVRQTZHADMPMNW-UHFFFAOYSA-N -1 0 449.503 3.769 50 0 biogenic IHAARM Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002113021 562925891 /nfs/dbraw/zinc/92/58/91/562925891.db2.gz FJNDITZORJKZER-KRWDZBQOSA-N -1 0 443.883 3.563 50 0 biogenic IHAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12 ZINC000002125286 562925941 /nfs/dbraw/zinc/92/59/41/562925941.db2.gz YYXQOCDJYCJZFJ-LJQANCHMSA-N -1 0 443.883 3.590 50 0 biogenic IHAARM O=C(CCCCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCCc1ccccc1 ZINC000002974402 562931404 /nfs/dbraw/zinc/93/14/04/562931404.db2.gz OXEWSQRVAHSYQM-UHFFFAOYSA-N -1 0 439.537 3.707 50 0 IHAARM Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c2c(C)c1 ZINC000008606743 562957152 /nfs/dbraw/zinc/95/71/52/562957152.db2.gz GDDLLRFFZZSSFB-UHFFFAOYSA-N -1 0 436.493 3.822 50 0 aggregator IHAARM COc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccnc2Cl)cc1OC ZINC000008683133 562961834 /nfs/dbraw/zinc/96/18/34/562961834.db2.gz GVVQNKIMIZGXNG-UHFFFAOYSA-N -1 0 436.855 3.513 50 0 IHAARM CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)(c2ccccc2)CC1 ZINC000009237092 562968351 /nfs/dbraw/zinc/96/83/51/562968351.db2.gz KACRPTLABQJCPU-FQEVSTJZSA-N -1 0 438.524 3.897 50 0 IHAARM CN1Cc2cc(C(=O)c3cc(Cl)cc(CSc4ncccn4)c3[O-])cnc2NC1=O ZINC000009414890 562970440 /nfs/dbraw/zinc/97/04/40/562970440.db2.gz ZTJNWWANFGWTCN-UHFFFAOYSA-N -1 0 441.900 3.731 50 0 IHAARM COC(=O)[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000018992855 568631095 /nfs/dbraw/zinc/63/10/95/568631095.db2.gz 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COc1c(Cl)cccc1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)C1=C([O-])c1cccs1 ZINC000245246372 568913340 /nfs/dbraw/zinc/91/33/40/568913340.db2.gz JUKGMNYYUYWCGB-BFQNTYOBSA-N -1 0 434.823 3.514 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)no4)c=3c2=O)cc1C ZINC000064565366 568932325 /nfs/dbraw/zinc/93/23/25/568932325.db2.gz LOXAGGOCIGNIQQ-QZTJIDSGSA-N -1 0 436.859 3.500 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)c(C)s1 ZINC000089582497 568938285 /nfs/dbraw/zinc/93/82/85/568938285.db2.gz DYMFRZIWAMUSBM-ZANVPECISA-N -1 0 435.449 3.837 50 0 IHAARM CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000016690210 568938573 /nfs/dbraw/zinc/93/85/73/568938573.db2.gz HKZZZLODNIMBIH-INIZCTEOSA-N -1 0 449.964 3.576 50 0 IHAARM Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)C(C)C)c(=O)[n-]1 ZINC000064774575 568953977 /nfs/dbraw/zinc/95/39/77/568953977.db2.gz GLENNRCVDCAQJO-UHFFFAOYSA-N -1 0 437.525 3.878 50 0 IHAARM 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/nfs/dbraw/zinc/42/20/17/526422017.db2.gz IQBIHVAWCCYAME-UHFFFAOYSA-N -1 0 426.563 3.939 50 0 IHAARM NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000015082353 526896743 /nfs/dbraw/zinc/89/67/43/526896743.db2.gz DXYPUJLPGVUKES-HNNXBMFYSA-N -1 0 440.452 3.591 50 0 IHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000012521412 526981998 /nfs/dbraw/zinc/98/19/98/526981998.db2.gz NOZYLHKNQKLYME-UHFFFAOYSA-N -1 0 431.258 3.655 50 0 IHAARM Cc1nn(-c2nncc(-c3ccc(C)cc3)n2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000015670162 527574274 /nfs/dbraw/zinc/57/42/74/527574274.db2.gz GISHUOHMUNEHCJ-GOSISDBHSA-N -1 0 440.463 3.513 50 0 IHAARM O=C([O-])COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000012542085 527620648 /nfs/dbraw/zinc/62/06/48/527620648.db2.gz QVCUVPLSNPPECS-QHCPKHFHSA-N -1 0 432.432 3.645 50 0 IHAARM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000000683051 555538517 /nfs/dbraw/zinc/53/85/17/555538517.db2.gz 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Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000001195972 555676717 /nfs/dbraw/zinc/67/67/17/555676717.db2.gz LCSHIWSDLPRDQT-UHFFFAOYSA-N -1 0 428.441 3.885 50 0 IHAARM CCC[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-] ZINC000002108192 555743887 /nfs/dbraw/zinc/74/38/87/555743887.db2.gz OFKJONSDTLMQJR-FQEVSTJZSA-N -1 0 437.492 3.749 50 0 biogenic IHAARM COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002865315 555846786 /nfs/dbraw/zinc/84/67/86/555846786.db2.gz UPDNSWGITMXDFF-UHFFFAOYSA-N -1 0 449.579 3.935 50 0 IHAARM CCOc1cc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc(OCC)c1OCC ZINC000002998320 555876974 /nfs/dbraw/zinc/87/69/74/555876974.db2.gz ZGSSHKZFNFYXDX-UHFFFAOYSA-N -1 0 432.498 3.708 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000003146440 555892063 /nfs/dbraw/zinc/89/20/63/555892063.db2.gz COEYRHKHWZGNNE-UHFFFAOYSA-N -1 0 439.541 3.769 50 0 IHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)c1 ZINC000034765146 555906116 /nfs/dbraw/zinc/90/61/16/555906116.db2.gz PZTXQEVYVCWCMR-KRWDZBQOSA-N -1 0 436.512 3.549 50 0 IHAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)N1CCc2ccccc2C1 ZINC000034767551 555907177 /nfs/dbraw/zinc/90/71/77/555907177.db2.gz KXNVVLCCYWTYFO-UHFFFAOYSA-N -1 0 428.414 3.781 50 0 IHAARM COc1ccc(NC(=O)CCc2nnc(-c3ccc(C)c(Cl)c3)[n-]c2=O)cc1OC ZINC000034767827 555907556 /nfs/dbraw/zinc/90/75/56/555907556.db2.gz LRKLDKFXUNGZDW-UHFFFAOYSA-N -1 0 428.876 3.795 50 0 IHAARM Cc1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1Br ZINC000002730607 556134206 /nfs/dbraw/zinc/13/42/06/556134206.db2.gz KOHZUSXXFAKWCR-UHFFFAOYSA-N -1 0 430.335 3.842 50 0 IHAARM Cc1c(Br)cnn1Cc1nnc([N-]c2ccn(Cc3ccccc3)n2)s1 ZINC000002730831 556134259 /nfs/dbraw/zinc/13/42/59/556134259.db2.gz KUSJXNAQKONIPG-UHFFFAOYSA-N -1 0 430.335 3.842 50 0 IHAARM CCn1ncc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)c1C ZINC000002762448 556135775 /nfs/dbraw/zinc/13/57/75/556135775.db2.gz KQSDEPRUFJHUPY-NTEUORMPSA-N -1 0 440.525 3.673 50 0 IHAARM O=C([O-])COCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000008618260 556193284 /nfs/dbraw/zinc/19/32/84/556193284.db2.gz VCZWURCBVIPJTO-UHFFFAOYSA-N -1 0 425.388 3.659 50 0 IHAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c(Cl)c1 ZINC000009837308 556312711 /nfs/dbraw/zinc/31/27/11/556312711.db2.gz PEVLPDUMASZYMB-WOJBJXKFSA-N -1 0 439.903 3.704 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 ZINC000013040045 556445935 /nfs/dbraw/zinc/44/59/35/556445935.db2.gz SICYEUZBKVSMHV-UHFFFAOYSA-N -1 0 438.505 3.763 50 0 IHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1Cl ZINC000013059099 556450134 /nfs/dbraw/zinc/45/01/34/556450134.db2.gz IRHJTTOTMLDWDB-UHFFFAOYSA-N -1 0 428.963 3.706 50 0 IHAARM COc1ccccc1-n1c(O)c2n(-c3ccc(C)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O ZINC000013136360 556483743 /nfs/dbraw/zinc/48/37/43/556483743.db2.gz GMEACKGFWFQHFV-JTHBVZDNSA-N -1 0 439.471 3.621 50 0 IHAARM CCC(C)(C)C1CCC(NC(=O)CSc2nc3nc(C)c(CC(=O)[O-])c(C)n3n2)CC1 ZINC000013222496 556499054 /nfs/dbraw/zinc/49/90/54/556499054.db2.gz FKUGLMSGMAFFRX-UHFFFAOYSA-N -1 0 447.605 3.572 50 0 IHAARM CCc1cc2c(ncnc2SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000013253936 556501072 /nfs/dbraw/zinc/50/10/72/556501072.db2.gz BOVBQUPRTAFWPO-KRWDZBQOSA-N -1 0 440.550 3.639 50 0 IHAARM CCc1cc2c(nc(SCC(=O)Nc3cc(C(=O)[O-])ccc3C)n(CC)c2=O)s1 ZINC000013364783 556503076 /nfs/dbraw/zinc/50/30/76/556503076.db2.gz QTHCLHTUUJBBAZ-UHFFFAOYSA-N -1 0 431.539 3.778 50 0 IHAARM CCN(CC)C(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2o1 ZINC000015221287 556511770 /nfs/dbraw/zinc/51/17/70/556511770.db2.gz BEXBIZKNIAMTBD-UHFFFAOYSA-N -1 0 449.554 3.598 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Oc2ccc(NC(C)=O)cc2)cc1 ZINC000015541536 556533844 /nfs/dbraw/zinc/53/38/44/556533844.db2.gz ZVRAJCOGSMASTC-UHFFFAOYSA-N -1 0 440.477 3.674 50 0 IHAARM CCc1c([O-])nc(SCC(=O)Nc2nc3ccccc3s2)n(-c2ccccc2)c1=O ZINC000013635543 556540844 /nfs/dbraw/zinc/54/08/44/556540844.db2.gz LNTWHGRJNXJVRO-UHFFFAOYSA-N -1 0 438.534 3.841 50 0 IHAARM CCOc1ccc(NC(=O)CSc2nc([O-])c(CC)c(=O)n2-c2ccc(F)cc2)cc1 ZINC000015836701 556555621 /nfs/dbraw/zinc/55/56/21/556555621.db2.gz XEAJOAGPPMVRDS-UHFFFAOYSA-N -1 0 443.500 3.769 50 0 IHAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000016154686 556585848 /nfs/dbraw/zinc/58/58/48/556585848.db2.gz WEONJODGKMMAJX-UHFFFAOYSA-N -1 0 435.420 3.549 50 0 IHAARM Cc1cccc(N2C(=O)[N-]C(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)c1C ZINC000016447785 556608006 /nfs/dbraw/zinc/60/80/06/556608006.db2.gz ZBTPDRGGCWFSAF-UHFFFAOYSA-N -1 0 442.519 3.928 50 0 IHAARM Cc1oc(-c2cccs2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000100697374 556650729 /nfs/dbraw/zinc/65/07/29/556650729.db2.gz PNBPRRWJIYYCNL-CVEARBPZSA-N -1 0 427.873 3.858 50 0 IHAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238901050 556681971 /nfs/dbraw/zinc/68/19/71/556681971.db2.gz KQUTXXWSXHOINZ-QAQDUYKDSA-N -1 0 429.513 3.830 50 0 biogenic IHAARM O=C1[N-]C(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@H]32)C(=O)N1c1ccccc1 ZINC000247636386 556686187 /nfs/dbraw/zinc/68/61/87/556686187.db2.gz DRZXBJKKIOTUEP-PGRDOPGGSA-N -1 0 443.425 3.890 50 0 IHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)c(OC)c1OC ZINC000061719465 556726339 /nfs/dbraw/zinc/72/63/39/556726339.db2.gz ZEOAOHGRACBVJI-ZDUSSCGKSA-N -1 0 440.427 3.815 50 0 IHAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)c1OC ZINC000061721142 556728861 /nfs/dbraw/zinc/72/88/61/556728861.db2.gz ZHGGJXZHIGVBPX-OAHLLOKOSA-N -1 0 428.391 3.945 50 0 IHAARM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCCC3)o2)c1 ZINC000097940825 556811501 /nfs/dbraw/zinc/81/15/01/556811501.db2.gz BNIKTNLZOUKWTK-UHFFFAOYSA-N -1 0 432.477 3.544 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000097940845 556811533 /nfs/dbraw/zinc/81/15/33/556811533.db2.gz FDOHIDTVMBALIO-UHFFFAOYSA-N -1 0 448.932 3.977 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc(OC)c1OC ZINC000033263899 556955713 /nfs/dbraw/zinc/95/57/13/556955713.db2.gz OLYVGWAICGZEDK-UHFFFAOYSA-N -1 0 448.375 3.780 50 0 IHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)c1 ZINC000032943765 557021435 /nfs/dbraw/zinc/02/14/35/557021435.db2.gz CLXUVOZMCXCADT-UHFFFAOYSA-N -1 0 436.555 3.743 50 0 IHAARM COc1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Br)c1O ZINC000048326950 557069141 /nfs/dbraw/zinc/06/91/41/557069141.db2.gz GAWOETIZTNUBFY-WDZFZDKYSA-N -1 0 443.253 3.516 50 0 IHAARM COC(=O)c1cccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)c1 ZINC000049409606 557104702 /nfs/dbraw/zinc/10/47/02/557104702.db2.gz NDUSJCUZPMVHQG-UHFFFAOYSA-N -1 0 434.473 3.856 50 0 IHAARM O=C([O-])CCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000113563205 557117301 /nfs/dbraw/zinc/11/73/01/557117301.db2.gz JGRDCVWUEDIXIX-MRXNPFEDSA-N -1 0 432.885 3.568 50 0 IHAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000000627348 557122375 /nfs/dbraw/zinc/12/23/75/557122375.db2.gz KYFPEIQDXBUNJO-LEWJYISDSA-N -1 0 449.551 3.787 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OC)c(NC(C)=O)c1 ZINC000024437097 557146942 /nfs/dbraw/zinc/14/69/42/557146942.db2.gz GJKNKFNYWAAEGZ-UHFFFAOYSA-N -1 0 443.319 3.616 50 0 IHAARM COc1cccc2cc(-c3nnc(SCC(=O)Nc4cccc(C(=O)[O-])c4)n3C)oc21 ZINC000008442068 557169928 /nfs/dbraw/zinc/16/99/28/557169928.db2.gz NTNCUORWWRPYQQ-UHFFFAOYSA-N -1 0 438.465 3.666 50 0 IHAARM CCOc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c2c1 ZINC000011612195 557208593 /nfs/dbraw/zinc/20/85/93/557208593.db2.gz MDPXNKRQHRVXJG-JOCHJYFZSA-N -1 0 447.491 3.778 50 0 IHAARM COc1ccccc1N1C(=O)C[C@@H](c2c(C)[n-]n(-c3nc4ccccc4s3)c2=O)C1=O ZINC000100068885 557239112 /nfs/dbraw/zinc/23/91/12/557239112.db2.gz IULITLOHKGRDSJ-ZDUSSCGKSA-N -1 0 434.477 3.552 50 0 IHAARM O=C(c1cc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)c[nH]1)N1CCCC1 ZINC000026543973 557244151 /nfs/dbraw/zinc/24/41/51/557244151.db2.gz UCQXAEFQXUMCNV-UHFFFAOYSA-N -1 0 443.500 3.770 50 0 IHAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101168504 557258683 /nfs/dbraw/zinc/25/86/83/557258683.db2.gz ARILGLQBIPYFNO-FCHUYYIVSA-N -1 0 433.512 3.865 50 0 IHAARM CCOC(=O)c1c[n-]n(C2CCN(C(=O)Nc3nc4ccc(CC)cc4s3)CC2)c1=N ZINC000101396126 557283494 /nfs/dbraw/zinc/28/34/94/557283494.db2.gz FLRYINRKXLAGQT-UHFFFAOYSA-N -1 0 442.545 3.513 50 0 IHAARM O=S(=O)([N-]c1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccccc1F ZINC000011665570 557285796 /nfs/dbraw/zinc/28/57/96/557285796.db2.gz JAKDWYKLJBZBNY-UHFFFAOYSA-N -1 0 446.467 3.793 50 0 IHAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc(OCC)cc3)C2)c([O-])[nH]c1=S ZINC000101495331 557289134 /nfs/dbraw/zinc/28/91/34/557289134.db2.gz VZHMVPDRUJBFON-KRWDZBQOSA-N -1 0 444.557 3.898 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)N5CCCC5)cc4)c3=O)c2c1 ZINC000101497399 557289499 /nfs/dbraw/zinc/28/94/99/557289499.db2.gz NYANMUZXSGPFDB-UHFFFAOYSA-N -1 0 434.521 3.833 50 0 IHAARM CCc1ccc(CNC(=O)c2c([O-])c3cccnc3n(-c3cccc(OC)c3)c2=O)cc1 ZINC000101722519 557294771 /nfs/dbraw/zinc/29/47/71/557294771.db2.gz QGWNFWTZXZERIR-UHFFFAOYSA-N -1 0 429.476 3.592 50 0 IHAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1=COCCO1 ZINC000014129274 557308201 /nfs/dbraw/zinc/30/82/01/557308201.db2.gz XXHICIWWURBDCJ-UHFFFAOYSA-N -1 0 429.281 3.621 50 0 IHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccs2)cc1Cl ZINC000102810885 557393049 /nfs/dbraw/zinc/39/30/49/557393049.db2.gz KVWIBVZNLOWLLH-CQSZACIVSA-N -1 0 430.873 3.842 50 0 IHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2csc3nc(C)cc(=O)n23)c1 ZINC000011696309 557394394 /nfs/dbraw/zinc/39/43/94/557394394.db2.gz RNEQUWFVIXNDOS-UHFFFAOYSA-N -1 0 445.497 3.680 50 0 IHAARM COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205977270 557401552 /nfs/dbraw/zinc/40/15/52/557401552.db2.gz VPRZVNMEWRDUCR-ZDUSSCGKSA-N -1 0 442.777 3.647 50 0 IHAARM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)C1 ZINC000102879021 557407484 /nfs/dbraw/zinc/40/74/84/557407484.db2.gz XWJGSEFESMLQHZ-CZUORRHYSA-N -1 0 434.949 3.823 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101261838 557455966 /nfs/dbraw/zinc/45/59/66/557455966.db2.gz PWJQVMSCNJHKFP-ROUUACIJSA-N -1 0 436.859 3.500 50 0 IHAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000225546335 557739824 /nfs/dbraw/zinc/73/98/24/557739824.db2.gz ZQKZBURMBWKISM-NRFANRHFSA-N -1 0 427.570 3.705 50 0 IHAARM CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C(=O)[O-])c3ccccc3C2c2ccccc21 ZINC000000849900 557829508 /nfs/dbraw/zinc/82/95/08/557829508.db2.gz ANZGRBZHUYMSGD-FPAXGFGJSA-N -1 0 439.467 3.721 50 0 IHAARM CC(=O)Nc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000009272231 562968788 /nfs/dbraw/zinc/96/87/88/562968788.db2.gz FFOQTMKAYUUZBS-HMAPJEAMSA-N -1 0 443.459 3.753 50 0 IHAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000009761974 562976692 /nfs/dbraw/zinc/97/66/92/562976692.db2.gz LMEVTTAHTYDRQW-UHFFFAOYSA-N -1 0 434.301 3.975 50 0 IHAARM O=C([O-])Cn1cnc2c1nc(NC(=O)OC(c1ccccc1)c1ccccc1)nc2Cl ZINC000261508504 568735168 /nfs/dbraw/zinc/73/51/68/568735168.db2.gz UASOFVPBAAJJID-UHFFFAOYSA-N -1 0 437.843 3.902 50 0 IHAARM CCOC(=O)N[C@]([N-]c1nc2ccc(Cl)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000003619074 568751470 /nfs/dbraw/zinc/75/14/70/568751470.db2.gz GOHSCHJDSHZJFA-CQSZACIVSA-N -1 0 425.816 3.929 50 0 IHAARM CCOC(=O)N[C@@]([N-]c1nc2ccc(Cl)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000003619077 568751559 /nfs/dbraw/zinc/75/15/59/568751559.db2.gz GOHSCHJDSHZJFA-AWEZNQCLSA-N -1 0 425.816 3.929 50 0 IHAARM CCOC(=O)c1c2c(sc1NC(=O)[N-]S(=O)(=O)c1ccccc1Cl)CCCC2 ZINC000001510042 568836111 /nfs/dbraw/zinc/83/61/11/568836111.db2.gz GAWKFTDVFJGIRH-UHFFFAOYSA-N -1 0 442.946 3.967 50 0 IHAARM Cc1c(CCNS(=O)(=O)c2ccccc2F)sc2nc(-c3ccc(F)cc3)nn12 ZINC000015823605 568840227 /nfs/dbraw/zinc/84/02/27/568840227.db2.gz WEFLXBCHQQHVCF-UHFFFAOYSA-N -1 0 434.493 3.565 50 0 IHAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)c1 ZINC000064565359 568932312 /nfs/dbraw/zinc/93/23/12/568932312.db2.gz TVUGXNSNLUQMCS-UXHICEINSA-N -1 0 430.468 3.662 50 0 IHAARM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2F)C1 ZINC000016690069 568938424 /nfs/dbraw/zinc/93/84/24/568938424.db2.gz NLKZKYUGBOKYPW-DYVFJYSZSA-N -1 0 432.521 3.562 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000064774685 568954212 /nfs/dbraw/zinc/95/42/12/568954212.db2.gz FTMKPFXBOIDJSK-AWEZNQCLSA-N -1 0 437.525 3.939 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c(OC)c1 ZINC000065020960 569088636 /nfs/dbraw/zinc/08/86/36/569088636.db2.gz NQXAWVYNZKMROZ-UHFFFAOYSA-N -1 0 432.542 3.785 50 0 IHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137390 569110416 /nfs/dbraw/zinc/11/04/16/569110416.db2.gz KQYNBUWMKNPVOY-UHFFFAOYSA-N -1 0 448.545 3.633 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)c1ncccc1O2 ZINC000065241522 569121048 /nfs/dbraw/zinc/12/10/48/569121048.db2.gz ZBACZXVPQAUGRF-UHFFFAOYSA-N -1 0 445.884 3.927 50 0 IHAARM COc1cccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000016848670 569164337 /nfs/dbraw/zinc/16/43/37/569164337.db2.gz HQDAPIZOTADVHU-UHFFFAOYSA-N -1 0 431.539 3.832 50 0 IHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1ccco1 ZINC000017026572 569171114 /nfs/dbraw/zinc/17/11/14/569171114.db2.gz ZXDORIBGWFFUEN-UHFFFAOYSA-N -1 0 426.494 3.990 50 0 IHAARM CCCC[C@@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)[O-] ZINC000002093083 569178922 /nfs/dbraw/zinc/17/89/22/569178922.db2.gz HRLSIGDRKSFEKK-OAQYLSRUSA-N -1 0 437.492 3.831 50 0 biogenic IHAARM Cn1ncc(Br)c1S(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000252490148 569186795 /nfs/dbraw/zinc/18/67/95/569186795.db2.gz KKGCFCYVFGWFMQ-UHFFFAOYSA-N -1 0 432.303 3.527 50 0 IHAARM COc1c(OCCCC[NH+]2CCN(C)CC2)cc(O)c2c(=O)cc(-c3ccccc3)oc12 ZINC000142658731 569254892 /nfs/dbraw/zinc/25/48/92/569254892.db2.gz ICGYSEWPMDWBIL-UHFFFAOYSA-N -1 0 438.524 3.581 50 0 IHAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000253426670 569267357 /nfs/dbraw/zinc/26/73/57/569267357.db2.gz LYEPOMRBQZETMM-IBGZPJMESA-N -1 0 436.512 3.702 50 0 IHAARM COc1ccc(CCNC(=O)C[C@H](c2ccc(OC)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470563 569282440 /nfs/dbraw/zinc/28/24/40/569282440.db2.gz GTRTXISXYYHKIL-OAQYLSRUSA-N -1 0 437.492 3.552 50 0 IHAARM COc1ccc([C@@H](CC(=O)NCc2ccco2)c2c([O-])c3ccccc3oc2=O)cc1O ZINC000253470828 569282555 /nfs/dbraw/zinc/28/25/55/569282555.db2.gz GHXSILSRAHUUAW-QGZVFWFLSA-N -1 0 435.432 3.644 50 0 IHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000013148326 569312071 /nfs/dbraw/zinc/31/20/71/569312071.db2.gz NGEBVSHCYNTKJR-UHFFFAOYSA-N -1 0 438.505 3.763 50 0 IHAARM CCOCCCNC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000013349027 569313221 /nfs/dbraw/zinc/31/32/21/569313221.db2.gz WXLDIVMTSHZIPI-UHFFFAOYSA-N -1 0 448.570 3.954 50 0 IHAARM Cc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000013370248 569314887 /nfs/dbraw/zinc/31/48/87/569314887.db2.gz IKQCNQWHICMRCP-UHFFFAOYSA-N -1 0 432.571 3.802 50 0 IHAARM Cc1c([N-]S(=O)(=O)c2cc(Br)cnc2Cl)n[nH]c1-c1ccccc1 ZINC000328594393 569317532 /nfs/dbraw/zinc/31/75/32/569317532.db2.gz HHVWIZHQTHQTKF-UHFFFAOYSA-N -1 0 427.711 3.997 50 0 IHAARM NC(=O)c1cc([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)ccc1Cl ZINC000328596042 569317865 /nfs/dbraw/zinc/31/78/65/569317865.db2.gz PCJYBSIVFWPSJU-UHFFFAOYSA-N -1 0 425.091 3.835 50 0 IHAARM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C ZINC000019932752 569332100 /nfs/dbraw/zinc/33/21/00/569332100.db2.gz FPJCIFHAJZSNCS-OAHLLOKOSA-N -1 0 431.539 3.967 50 0 IHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)n(-c3nccs3)c2C)c(OC)c1 ZINC000095989804 569378130 /nfs/dbraw/zinc/37/81/30/569378130.db2.gz CEQADJLKSFJFKX-QGZVFWFLSA-N -1 0 429.498 3.514 50 0 IHAARM Cn1c(SCC(=O)NCc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003448094 569451458 /nfs/dbraw/zinc/45/14/58/569451458.db2.gz NQRONYMAANTBPO-UHFFFAOYSA-N -1 0 438.553 3.886 50 0 IHAARM COc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c1 ZINC000040450573 569506328 /nfs/dbraw/zinc/50/63/28/569506328.db2.gz HAVDCGAVUORHKN-NSHDSACASA-N -1 0 439.331 3.556 50 0 IHAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1OC ZINC000009184862 569509978 /nfs/dbraw/zinc/50/99/78/569509978.db2.gz APMPTYBZGZIQCY-UHFFFAOYSA-N -1 0 433.511 3.604 50 0 IHAARM O=C([O-])CCCC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O ZINC000009260561 569516920 /nfs/dbraw/zinc/51/69/20/569516920.db2.gz LZXNOGUAKNIQJO-UHFFFAOYSA-N -1 0 430.258 3.958 50 0 IHAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000009373622 569527062 /nfs/dbraw/zinc/52/70/62/569527062.db2.gz PQDRWRFSFFFPMS-UHFFFAOYSA-N -1 0 448.566 3.680 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCOc2ccccc2)c1 ZINC000009444326 569535753 /nfs/dbraw/zinc/53/57/53/569535753.db2.gz IQPXUZRQJCMXRB-UHFFFAOYSA-N -1 0 426.494 3.904 50 0 IHAARM O=C([O-])CCCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000009670126 569558239 /nfs/dbraw/zinc/55/82/39/569558239.db2.gz ZXXNWXGSYRVRGR-UHFFFAOYSA-N -1 0 444.481 3.996 50 0 IHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)CC)c1 ZINC000009679961 569559960 /nfs/dbraw/zinc/55/99/60/569559960.db2.gz DVMWFOIXLYOUDG-OAHLLOKOSA-N -1 0 432.542 3.972 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1cccc(F)c1 ZINC000009828523 569569711 /nfs/dbraw/zinc/56/97/11/569569711.db2.gz PSOWWAKZRMMVTH-UHFFFAOYSA-N -1 0 425.894 3.918 50 0 IHAARM CCCN1C(=O)N/C(=C\c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000009933343 569573717 /nfs/dbraw/zinc/57/37/17/569573717.db2.gz WMLKELMIJYARPD-LICLKQGHSA-N -1 0 444.871 3.929 50 0 IHAARM CCOc1ccc(NC(=O)Cn2c3ccc(OC)cc3c3[n-]c(=S)n(C)c(=O)c32)cc1 ZINC000071328589 569575563 /nfs/dbraw/zinc/57/55/63/569575563.db2.gz RNODTKIRGCYQCF-UHFFFAOYSA-N -1 0 438.509 3.597 50 0 IHAARM O=C([O-])[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(Br)cc1 ZINC000531998297 569588005 /nfs/dbraw/zinc/58/80/05/569588005.db2.gz OHCBEIQUWXXHKH-INIZCTEOSA-N -1 0 434.677 3.844 50 0 IHAARM Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])CC2)c1 ZINC000000627341 132227964 /nfs/dbraw/zinc/22/79/64/132227964.db2.gz FSIWPSKBRWDXLX-NHCUHLMSSA-N -1 0 449.551 3.787 50 0 IHAARM CCCCCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)OCC)CC3)cc21 ZINC000002275957 132251033 /nfs/dbraw/zinc/25/10/33/132251033.db2.gz MWYMBFWDCHFCBM-UHFFFAOYSA-N -1 0 447.507 3.698 50 0 IHAARM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000012180610 520528655 /nfs/dbraw/zinc/52/86/55/520528655.db2.gz OXSCEWIHTVCSQT-UHFFFAOYSA-N -1 0 428.963 3.633 50 0 IHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(Br)ccc1OC)O[C@H](C)C2 ZINC000012584472 520796694 /nfs/dbraw/zinc/79/66/94/520796694.db2.gz AJFPFZDVJSMHHL-LLVKDONJSA-N -1 0 442.331 3.981 50 0 IHAARM CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000023157209 520959776 /nfs/dbraw/zinc/95/97/76/520959776.db2.gz QVPQZNOBNQEQRG-SFHVURJKSA-N -1 0 443.573 3.792 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1 ZINC000021155821 521128134 /nfs/dbraw/zinc/12/81/34/521128134.db2.gz MWURSNBDOOIHFI-UHFFFAOYSA-N -1 0 433.574 3.714 50 0 IHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1 ZINC000020580734 521520836 /nfs/dbraw/zinc/52/08/36/521520836.db2.gz GTGGNIOTBYSADK-UHFFFAOYSA-N -1 0 430.482 3.945 50 0 IHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012552434 521528392 /nfs/dbraw/zinc/52/83/92/521528392.db2.gz NYVNOTQWEYRPDG-UHFFFAOYSA-N -1 0 439.415 3.869 50 0 IHAARM CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022795360 521695393 /nfs/dbraw/zinc/69/53/93/521695393.db2.gz FENMIPHYCKZMJS-KRWDZBQOSA-N -1 0 427.505 3.622 50 0 IHAARM CCN1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000022626839 521695902 /nfs/dbraw/zinc/69/59/02/521695902.db2.gz JCACMNWLICGWOP-HNNXBMFYSA-N -1 0 426.373 3.839 50 0 IHAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(OC)c2)c1 ZINC000012753047 522251671 /nfs/dbraw/zinc/25/16/71/522251671.db2.gz FSZRFIXZUQYLNP-UHFFFAOYSA-N -1 0 440.477 3.535 50 0 IHAARM COc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000012382157 523618746 /nfs/dbraw/zinc/61/87/46/523618746.db2.gz CTGZBGWJJCSXLU-UMSHPIDHSA-N -1 0 444.915 3.735 50 0 IHAARM CN1CCN(c2nc3ccc([N-]S(=O)(=O)c4ccc(Cl)s4)cc3s2)CC1 ZINC000035596718 523928758 /nfs/dbraw/zinc/92/87/58/523928758.db2.gz UFVLARSAKXYSIC-UHFFFAOYSA-N -1 0 428.992 3.564 50 0 IHAARM C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000023078019 524542179 /nfs/dbraw/zinc/54/21/79/524542179.db2.gz FHHOTDULSLQPJB-KBPBESRZSA-N -1 0 442.459 3.756 50 0 IHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1C(=O)N1CCCC1 ZINC000020989775 525413189 /nfs/dbraw/zinc/41/31/89/525413189.db2.gz WBOOTAXYTICUBF-UHFFFAOYSA-N -1 0 431.436 3.567 50 0 IHAARM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])c2cccc(C)c2)cc1 ZINC000012285411 525508771 /nfs/dbraw/zinc/50/87/71/525508771.db2.gz LSZBGXDVWHEHDR-UHFFFAOYSA-N -1 0 438.505 3.836 50 0 IHAARM COc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C(C)C)ccc4n3)CC2)c1 ZINC000033260659 526157273 /nfs/dbraw/zinc/15/72/73/526157273.db2.gz NTGNFMXGQBPPKH-UHFFFAOYSA-N -1 0 448.523 3.863 50 0 IHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000020739915 526306365 /nfs/dbraw/zinc/30/63/65/526306365.db2.gz IPPNVVGAKMDXLP-KRWDZBQOSA-N -1 0 445.338 3.927 50 0 IHAARM [O-]c1c([C@H](c2cccc(F)c2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 ZINC000022609593 526332357 /nfs/dbraw/zinc/33/23/57/526332357.db2.gz AGWTTZQSSSARQQ-SFHVURJKSA-N -1 0 427.480 3.686 50 0 IHAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c1 ZINC000001092774 526392442 /nfs/dbraw/zinc/39/24/42/526392442.db2.gz KKYNKODKLQCKFG-UHFFFAOYSA-N -1 0 436.489 3.779 50 0 IHAARM Cn1ccnc1[C@@H](NC(=O)COc1c(Cl)cc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000012535332 527453483 /nfs/dbraw/zinc/45/34/83/527453483.db2.gz PSEONZPBMRPFMF-KRWDZBQOSA-N -1 0 434.279 3.710 50 0 IHAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012525989 527497210 /nfs/dbraw/zinc/49/72/10/527497210.db2.gz IXYBSXHABWEZDB-UHFFFAOYSA-N -1 0 429.723 3.796 50 0 IHAARM CC(C)[C@H](CO)Nc1nc2c(ncn2C(C)C)c(Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000000582590 555510706 /nfs/dbraw/zinc/51/07/06/555510706.db2.gz ZKDXRFMOHZVXSG-HNNXBMFYSA-N -1 0 432.912 3.931 50 0 in-vivo IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)no1 ZINC000000672588 555531969 /nfs/dbraw/zinc/53/19/69/555531969.db2.gz UTVJDUXDTFCBFT-UHFFFAOYSA-N -1 0 437.477 3.955 50 0 IHAARM CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000000707840 555545404 /nfs/dbraw/zinc/54/54/04/555545404.db2.gz MRQCQNCTUKDNRE-YKUCYRFJSA-N -1 0 437.451 3.525 50 0 IHAARM COc1ccc(C[C@H](CC(=O)Nc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000000783551 555555617 /nfs/dbraw/zinc/55/56/17/555555617.db2.gz LTYMYLLTRHNYDT-CYBMUJFWSA-N -1 0 439.249 3.572 50 0 IHAARM CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)c1 ZINC000000797257 555558357 /nfs/dbraw/zinc/55/83/57/555558357.db2.gz MGYJWWMJBPSBDO-UHFFFAOYSA-N -1 0 438.461 3.641 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1Br ZINC000000836009 555566943 /nfs/dbraw/zinc/56/69/43/555566943.db2.gz FXTDLLVNLZOGPR-UHFFFAOYSA-N -1 0 438.328 3.959 50 0 IHAARM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)c(S(=O)(=O)c2ccccc2)c1 ZINC000001196507 555676990 /nfs/dbraw/zinc/67/69/90/555676990.db2.gz MWNFJTMJWDVDBS-UHFFFAOYSA-N -1 0 445.518 3.635 50 0 IHAARM CC(C)(C)OC(=O)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560014 555787600 /nfs/dbraw/zinc/78/76/00/555787600.db2.gz PKAUMAVONPSDRW-IBGZPJMESA-N -1 0 426.469 3.503 50 0 IHAARM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000002815188 555828514 /nfs/dbraw/zinc/82/85/14/555828514.db2.gz HDXBZOITSLWLJM-UHFFFAOYSA-N -1 0 438.552 3.748 50 0 IHAARM CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1Br ZINC000002998825 555876966 /nfs/dbraw/zinc/87/69/66/555876966.db2.gz WFIKDGALMZRONE-UHFFFAOYSA-N -1 0 437.315 3.981 50 0 IHAARM CCOC(=O)C(CC(=O)[O-])=C(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000003132158 555890507 /nfs/dbraw/zinc/89/05/07/555890507.db2.gz TYGPFFNHUQEHAY-UHFFFAOYSA-N -1 0 430.453 3.561 50 0 IHAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)c(C)c1 ZINC000006142731 556077523 /nfs/dbraw/zinc/07/75/23/556077523.db2.gz BLKPOIYAWPEWFU-MOPGFXCFSA-N -1 0 430.526 3.934 50 0 IHAARM COc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1cccc2ccccc21 ZINC000009319461 556280821 /nfs/dbraw/zinc/28/08/21/556280821.db2.gz ANJJECJZRNOAGB-UHFFFAOYSA-N -1 0 433.489 3.831 50 0 IHAARM CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000009601194 556302416 /nfs/dbraw/zinc/30/24/16/556302416.db2.gz KLKHDVJWYCTPKC-UHFFFAOYSA-N -1 0 446.916 3.959 50 0 IHAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032755029 556324339 /nfs/dbraw/zinc/32/43/39/556324339.db2.gz PRZLEOCUYIIKKY-UHFFFAOYSA-N -1 0 449.381 3.969 50 0 IHAARM CCn1ncc(-n2c(=S)[n-]nc2C23C[C@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c1C ZINC000013960039 556347082 /nfs/dbraw/zinc/34/70/82/556347082.db2.gz PDMLGMDWTBRCIW-LWYUSKRHSA-N -1 0 444.996 3.947 50 0 IHAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)NC(C)C)cc1 ZINC000011027491 556444632 /nfs/dbraw/zinc/44/46/32/556444632.db2.gz ZQPOATBXZRTNLQ-UHFFFAOYSA-N -1 0 429.567 3.835 50 0 IHAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000028791188 556461144 /nfs/dbraw/zinc/46/11/44/556461144.db2.gz CMTDDODGAUBPPP-UHFFFAOYSA-N -1 0 432.498 3.886 50 0 IHAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2)C1 ZINC000016121825 556584317 /nfs/dbraw/zinc/58/43/17/556584317.db2.gz PJLIRXSJLRVJAZ-CYBMUJFWSA-N -1 0 446.953 3.701 50 0 IHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016448171 556608518 /nfs/dbraw/zinc/60/85/18/556608518.db2.gz SBPQDCSDFPLZKZ-UHFFFAOYSA-N -1 0 439.512 3.589 50 0 IHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017094975 556658332 /nfs/dbraw/zinc/65/83/32/556658332.db2.gz NJTLEYCNKYVOGX-HZPDHXFCSA-N -1 0 426.538 3.996 50 0 IHAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 ZINC000017096583 556660549 /nfs/dbraw/zinc/66/05/49/556660549.db2.gz QQNACVGHEMPORL-IRXDYDNUSA-N -1 0 429.542 3.773 50 0 IHAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238923862 556681896 /nfs/dbraw/zinc/68/18/96/556681896.db2.gz PRJMUHABANULGT-UMVBOHGHSA-N -1 0 435.904 3.783 50 0 biogenic IHAARM COc1ccc(CC(=O)NCc2n[n-]c(=S)n2-c2ccc(Br)cc2)cc1 ZINC000013571948 556698792 /nfs/dbraw/zinc/69/87/92/556698792.db2.gz OWTGVPHTJVFXJZ-UHFFFAOYSA-N -1 0 433.331 3.560 50 0 IHAARM COc1ccc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)c1 ZINC000061719355 556726342 /nfs/dbraw/zinc/72/63/42/556726342.db2.gz DYCFXMOCIBWVEQ-MRXNPFEDSA-N -1 0 428.391 3.945 50 0 IHAARM Cc1c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002104677 556759033 /nfs/dbraw/zinc/75/90/33/556759033.db2.gz JUZNJLMPVMZQFK-BTYIYWSLSA-N -1 0 435.476 3.690 50 0 biogenic IHAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N3CCCCC3)oc2C)c1 ZINC000097940884 556810502 /nfs/dbraw/zinc/81/05/02/556810502.db2.gz WWPUXCBBJCJFJU-UHFFFAOYSA-N -1 0 442.541 3.967 50 0 IHAARM COc1ccc(C)cc1NC(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097941990 556812489 /nfs/dbraw/zinc/81/24/89/556812489.db2.gz FOAVFQBGOPYCMS-UHFFFAOYSA-N -1 0 429.480 3.597 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000019644880 556839384 /nfs/dbraw/zinc/83/93/84/556839384.db2.gz MZCVVYAOEJODQH-UHFFFAOYSA-N -1 0 446.550 3.914 50 0 IHAARM Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1)c1c(C)[nH][nH]c1=O ZINC000020026396 556967415 /nfs/dbraw/zinc/96/74/15/556967415.db2.gz BYBCGGBFIRCZOR-UHFFFAOYSA-N -1 0 428.832 3.953 50 0 IHAARM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157423 557030465 /nfs/dbraw/zinc/03/04/65/557030465.db2.gz SSRGMERJEAVAMZ-LJQANCHMSA-N -1 0 441.507 3.995 50 0 IHAARM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccccc1OC(F)(F)F ZINC000048303299 557058640 /nfs/dbraw/zinc/05/86/40/557058640.db2.gz MLWDUDFSDMKELD-UHFFFAOYSA-N -1 0 436.839 3.876 50 0 IHAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCc1ccc(C(C)C)cc1 ZINC000033279663 557062255 /nfs/dbraw/zinc/06/22/55/557062255.db2.gz DBIVCEBPCFQHSB-UHFFFAOYSA-N -1 0 426.542 3.881 50 0 IHAARM CSc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4c(F)cccc4F)o3)CC2=O)cc1 ZINC000033291346 557069420 /nfs/dbraw/zinc/06/94/20/557069420.db2.gz SRVSGSDYRYTQLK-LLVKDONJSA-N -1 0 430.436 3.843 50 0 IHAARM O=C(Cc1csc([N-]c2ncccn2)n1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000049029413 557088970 /nfs/dbraw/zinc/08/89/70/557088970.db2.gz PJMVUBOGAXMLFL-UHFFFAOYSA-N -1 0 449.367 3.875 50 0 IHAARM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N1CCN(Cc2ccccc2)CC1 ZINC000023408812 557090957 /nfs/dbraw/zinc/09/09/57/557090957.db2.gz TVSRITZZWVJZCI-UHFFFAOYSA-N -1 0 430.430 3.555 50 0 IHAARM CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191483 557100010 /nfs/dbraw/zinc/10/00/10/557100010.db2.gz RIFJQAPQJJPRKV-UHFFFAOYSA-N -1 0 426.498 3.614 50 0 IHAARM Cc1cc(=O)n2c(-c3ccc([N-]S(=O)(=O)c4cc(F)ccc4F)cc3)csc2n1 ZINC000011696405 557233204 /nfs/dbraw/zinc/23/32/04/557233204.db2.gz WNCUZESKTLQNSA-UHFFFAOYSA-N -1 0 433.461 3.810 50 0 IHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCc1nnsc1Cl ZINC000026245381 557238107 /nfs/dbraw/zinc/23/81/07/557238107.db2.gz XLALZGNEUDXELF-UHFFFAOYSA-N -1 0 441.893 3.797 50 0 IHAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018208581 557251902 /nfs/dbraw/zinc/25/19/02/557251902.db2.gz VARQVJBNNLKMKN-ZLNRFVROSA-N -1 0 448.450 3.894 50 0 IHAARM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000000814814 557255703 /nfs/dbraw/zinc/25/57/03/557255703.db2.gz KFLUGBPCONVASX-MDWZMJQESA-N -1 0 438.509 3.555 50 0 IHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)cc1OC ZINC000101681578 557295107 /nfs/dbraw/zinc/29/51/07/557295107.db2.gz SJGJEONYSFMSRL-VMSUTVGLSA-N -1 0 446.463 3.801 50 0 IHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5OC)oc4C)c=3c2=O)cc1 ZINC000102479191 557329939 /nfs/dbraw/zinc/32/99/39/557329939.db2.gz OBSDLCTURUGAAK-RTWAWAEBSA-N -1 0 445.479 3.714 50 0 IHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2OC)cc1 ZINC000102810764 557393202 /nfs/dbraw/zinc/39/32/02/557393202.db2.gz SYEBVDGCSYVYCO-LJQANCHMSA-N -1 0 434.452 3.526 50 0 IHAARM COc1ccccc1-n1c(O)c2n(-c3ccc(C)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O ZINC000100487416 557409887 /nfs/dbraw/zinc/40/98/87/557409887.db2.gz GMEACKGFWFQHFV-GMAHTHKFSA-N -1 0 439.471 3.621 50 0 IHAARM CCn1c(=O)c2ccc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2[n-]c1=S ZINC000102942316 557413409 /nfs/dbraw/zinc/41/34/09/557413409.db2.gz IMGYXQNIANZDLG-UHFFFAOYSA-N -1 0 431.521 3.511 50 0 IHAARM CCOC(=O)C(=C(O)CSc1nnc(-c2ccc(C)cc2)n1C)c1nc(C)cs1 ZINC000103034693 557416058 /nfs/dbraw/zinc/41/60/58/557416058.db2.gz PGXJPHYXLWICOB-MRXNPFEDSA-N -1 0 430.555 3.564 50 0 IHAARM CCOC(=O)C(=C(O)CSc1nncn1-c1cccc(Cl)c1)c1nc(C)cs1 ZINC000103034938 557416072 /nfs/dbraw/zinc/41/60/72/557416072.db2.gz DMTYLTZTWHQVNU-HNNXBMFYSA-N -1 0 436.946 3.694 50 0 IHAARM Cc1ccc(C)c(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316767 557465509 /nfs/dbraw/zinc/46/55/09/557465509.db2.gz ZRCGIVFKPHGWOL-UHFFFAOYSA-N -1 0 441.463 3.735 50 0 IHAARM COc1ccc(OC)c(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3OC)C2)c1 ZINC000225849307 557785056 /nfs/dbraw/zinc/78/50/56/557785056.db2.gz LHTPXBILBYQYNV-LJQANCHMSA-N -1 0 426.469 3.645 50 0 IHAARM O=C(CCCCCn1c(=S)[n-]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2 ZINC000002970585 562931335 /nfs/dbraw/zinc/93/13/35/562931335.db2.gz RQUKVQUZBNLRMN-UHFFFAOYSA-N -1 0 425.510 3.665 50 0 IHAARM CCc1ccccc1NC(=O)c1ccc2c([O-])c(S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000008589504 562951211 /nfs/dbraw/zinc/95/12/11/562951211.db2.gz RUSFHEDAONOEID-UHFFFAOYSA-N -1 0 448.500 3.881 50 0 IHAARM CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000008685521 562962555 /nfs/dbraw/zinc/96/25/55/562962555.db2.gz MAESUDHFEBULHP-UHFFFAOYSA-N -1 0 444.553 3.520 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(C)ccc(C)c3C)cc2)no1 ZINC000000958623 568646323 /nfs/dbraw/zinc/64/63/23/568646323.db2.gz SVAPCJXCCKLYGT-UHFFFAOYSA-N -1 0 429.498 3.727 50 0 IHAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 ZINC000000983056 568648875 /nfs/dbraw/zinc/64/88/75/568648875.db2.gz CUMXKCCSGQTGBM-WOJGMQOQSA-N -1 0 440.477 3.612 50 0 IHAARM CC(=O)O[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257350080 568731348 /nfs/dbraw/zinc/73/13/48/568731348.db2.gz UQDCTELYBPUWFG-CRBXMCRWSA-N -1 0 448.556 3.772 50 0 IHAARM CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)c1 ZINC000001196250 568736772 /nfs/dbraw/zinc/73/67/72/568736772.db2.gz PUBUOTFILXLRAK-UHFFFAOYSA-N -1 0 438.461 3.641 50 0 IHAARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C(C)NCc2ccccc2C(F)(F)F)C1=O ZINC000001407502 568787304 /nfs/dbraw/zinc/78/73/04/568787304.db2.gz BKVDYUXMBAMNLO-QGOAFFKASA-N -1 0 447.413 3.751 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C)s1 ZINC000032532520 568812655 /nfs/dbraw/zinc/81/26/55/568812655.db2.gz FYALZEFQZJPOGI-CYBMUJFWSA-N -1 0 428.601 3.586 50 0 IHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1Cl ZINC000015730319 568813879 /nfs/dbraw/zinc/81/38/79/568813879.db2.gz NPVWYIZJCZXFCK-JTQLQIEISA-N -1 0 442.946 3.981 50 0 IHAARM O=C(NC[C@@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000006093353 568824485 /nfs/dbraw/zinc/82/44/85/568824485.db2.gz SWERMQFLSWCEQC-LBPRGKRZSA-N -1 0 435.354 3.765 50 0 IHAARM O=C([O-])c1cccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c1 ZINC000000944515 568844632 /nfs/dbraw/zinc/84/46/32/568844632.db2.gz JXDMTMODWGATEM-HAVVHWLPSA-N -1 0 438.486 3.817 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000015865434 568850098 /nfs/dbraw/zinc/85/00/98/568850098.db2.gz LAHYHKGYJGMFKL-UHFFFAOYSA-N -1 0 435.505 3.691 50 0 IHAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc2s1 ZINC000015870389 568851686 /nfs/dbraw/zinc/85/16/86/568851686.db2.gz CMFZYAFZBRWVLY-UHFFFAOYSA-N -1 0 435.527 3.853 50 0 IHAARM CC(=O)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000226838919 568885302 /nfs/dbraw/zinc/88/53/02/568885302.db2.gz NLLYAYVSSXMHDM-JTKRFKOTSA-N -1 0 442.446 3.981 50 0 IHAARM C[C@@H](C(=O)[O-])n1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccs1 ZINC000013009607 568899847 /nfs/dbraw/zinc/89/98/47/568899847.db2.gz SWNPJEBILKGFCT-MEDUHNTESA-N -1 0 446.529 3.903 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)[n-]c1=O ZINC000064774678 568954220 /nfs/dbraw/zinc/95/42/20/568954220.db2.gz UTEBZGGNVOKXRH-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N(C)CCc2c(C)nn(C)c2C)cc1 ZINC000064820690 568967254 /nfs/dbraw/zinc/96/72/54/568967254.db2.gz BRYYZZJFQQUCSE-UHFFFAOYSA-N -1 0 436.512 3.675 50 0 IHAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2oc1C(=O)N1CCOCC1 ZINC000065010784 569088240 /nfs/dbraw/zinc/08/82/40/569088240.db2.gz VIWWBEQCPJNLFM-UHFFFAOYSA-N -1 0 446.500 3.770 50 0 IHAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)cc1 ZINC000065097432 569103822 /nfs/dbraw/zinc/10/38/22/569103822.db2.gz KTSUAMBZHOTBOE-UHFFFAOYSA-N -1 0 446.554 3.958 50 0 IHAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1 ZINC000065098924 569104687 /nfs/dbraw/zinc/10/46/87/569104687.db2.gz BNYKLNHPXSGXCV-UHFFFAOYSA-N -1 0 446.554 3.787 50 0 IHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1OC ZINC000065116042 569107191 /nfs/dbraw/zinc/10/71/91/569107191.db2.gz GKZATZSEGVHOQF-UHFFFAOYSA-N -1 0 445.497 3.817 50 0 IHAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 ZINC000065215653 569116919 /nfs/dbraw/zinc/11/69/19/569116919.db2.gz XUVXWIFAJODQDU-UHFFFAOYSA-N -1 0 434.473 3.856 50 0 IHAARM C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000170592148 569141072 /nfs/dbraw/zinc/14/10/72/569141072.db2.gz RCPOGZMYCQNPNM-ZMZPIMSZSA-N -1 0 449.276 3.649 50 0 IHAARM COc1ccccc1C[C@@H](CNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)[O-] ZINC000170592155 569141143 /nfs/dbraw/zinc/14/11/43/569141143.db2.gz CBGAEHOCZQJDSF-HNNXBMFYSA-N -1 0 447.413 3.573 50 0 IHAARM NC(=O)[C@H]1CCCN1Cc1ccccc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000170617474 569147394 /nfs/dbraw/zinc/14/73/94/569147394.db2.gz LFGKRVMFVOEIEX-QGZVFWFLSA-N -1 0 449.985 3.805 50 0 IHAARM CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)cc1 ZINC000010059050 569152032 /nfs/dbraw/zinc/15/20/32/569152032.db2.gz BFUNYWNUDAWILE-UHFFFAOYSA-N -1 0 440.525 3.947 50 0 IHAARM Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1 ZINC000013579034 569156034 /nfs/dbraw/zinc/15/60/34/569156034.db2.gz WWNBDPMFBFXTMP-UHFFFAOYSA-N -1 0 432.432 3.741 50 0 IHAARM O=C([O-])CCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000013578907 569156058 /nfs/dbraw/zinc/15/60/58/569156058.db2.gz JGRDCVWUEDIXIX-INIZCTEOSA-N -1 0 432.885 3.568 50 0 IHAARM CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000017096496 569173170 /nfs/dbraw/zinc/17/31/70/569173170.db2.gz XXTVHOWNCLXSHM-CYBMUJFWSA-N -1 0 429.498 3.568 50 0 IHAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc5c(c4)OCO5)c(Cl)c1=O)(C3)C2 ZINC000002199647 569191632 /nfs/dbraw/zinc/19/16/32/569191632.db2.gz MWPWITJYJPAFNM-DRUBFKJYSA-N -1 0 443.887 3.749 50 0 IHAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)NCc2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000170671436 569194712 /nfs/dbraw/zinc/19/47/12/569194712.db2.gz LWEANNVKQKTVJK-UHFFFAOYSA-N -1 0 435.871 3.648 50 0 IHAARM CC(C)(NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000138232160 569258886 /nfs/dbraw/zinc/25/88/86/569258886.db2.gz XJQSVBZBGZBJDP-NRFANRHFSA-N -1 0 436.508 3.673 50 0 IHAARM COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2ccc(C(=O)c3ccccc3)c([O-])c21 ZINC000253412309 569265856 /nfs/dbraw/zinc/26/58/56/569265856.db2.gz QOWICSNJSUKTKG-GOSISDBHSA-N -1 0 432.428 3.616 50 0 biogenic IHAARM Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2N2CCCCC2)c(Cl)cc1F ZINC000253420913 569266967 /nfs/dbraw/zinc/26/69/67/569266967.db2.gz NRJOBQPKUYMTTN-UHFFFAOYSA-N -1 0 425.913 3.678 50 0 IHAARM Cc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000013101339 569310032 /nfs/dbraw/zinc/31/00/32/569310032.db2.gz YYBUCXMIROPHHT-AWEZNQCLSA-N -1 0 432.723 3.905 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000013370250 569314989 /nfs/dbraw/zinc/31/49/89/569314989.db2.gz XZNHIVCLSZCNRB-UHFFFAOYSA-N -1 0 448.570 3.502 50 0 IHAARM CS[C@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C1 ZINC000078814760 569319343 /nfs/dbraw/zinc/31/93/43/569319343.db2.gz ZUOSSOYNHKRFCR-JSGCOSHPSA-N -1 0 426.585 3.659 50 0 IHAARM Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000095424434 569365865 /nfs/dbraw/zinc/36/58/65/569365865.db2.gz OBWSIXCTWRJDRU-AWEZNQCLSA-N -1 0 430.249 3.532 50 0 IHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3OC)C2)c1 ZINC000095532103 569374672 /nfs/dbraw/zinc/37/46/72/569374672.db2.gz PAGHEZIQRAPKLX-HXUWFJFHSA-N -1 0 426.469 3.645 50 0 IHAARM CN1C(=O)C[C@@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])[C@@H]1c1ccccc1 ZINC000096003278 569379007 /nfs/dbraw/zinc/37/90/07/569379007.db2.gz FCEAZKIXXZXBOX-SJCJKPOMSA-N -1 0 437.721 3.758 50 0 IHAARM CC(C)[C@H](CC(=O)N1CCOCC1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115245 569383151 /nfs/dbraw/zinc/38/31/51/569383151.db2.gz RQOGBGORYYTKEM-KRWDZBQOSA-N -1 0 437.492 3.860 50 0 biogenic IHAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(Br)c(C)c2)n1 ZINC000096379755 569398134 /nfs/dbraw/zinc/39/81/34/569398134.db2.gz JSEXXJQFSCQMKG-UHFFFAOYSA-N -1 0 425.308 3.862 50 0 IHAARM CC[C@H](Sc1nc2ccsc2c(=O)n1CCC(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC000002932577 569426227 /nfs/dbraw/zinc/42/62/27/569426227.db2.gz FUKUYPQUMGNPRE-HNNXBMFYSA-N -1 0 431.539 3.751 50 0 IHAARM Cc1ccc(Nc2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])s2)c(C)c1 ZINC000003291103 569444422 /nfs/dbraw/zinc/44/44/22/569444422.db2.gz PENWNSVIASGGTJ-QGZVFWFLSA-N -1 0 442.566 3.803 50 0 IHAARM COc1cc(-c2nc(C(=O)N[C@H](C)C(=O)[O-])cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000059485868 569461622 /nfs/dbraw/zinc/46/16/22/569461622.db2.gz YNFFSUPULUSMKT-GFCCVEGCSA-N -1 0 449.463 3.612 50 0 biogenic IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])OC(C)(C)CC3 ZINC000008765295 569474745 /nfs/dbraw/zinc/47/47/45/569474745.db2.gz AILRORDLONJYKG-FQEVSTJZSA-N -1 0 449.503 3.560 50 0 biogenic IHAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC000040135046 569490619 /nfs/dbraw/zinc/49/06/19/569490619.db2.gz NKXIMNMKOJPNDS-UHFFFAOYSA-N -1 0 437.308 3.630 50 0 IHAARM COC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccccc1Br ZINC000040152348 569493443 /nfs/dbraw/zinc/49/34/43/569493443.db2.gz SYNLHXODNDFJEP-KRWDZBQOSA-N -1 0 439.306 3.607 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(-c2cccc(Cl)c2)c1=O ZINC000008994706 569495519 /nfs/dbraw/zinc/49/55/19/569495519.db2.gz DXMNQVGVGLLPHX-FQEVSTJZSA-N -1 0 436.899 3.746 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(-c2cccc(C)c2C)c1=O ZINC000008995785 569495700 /nfs/dbraw/zinc/49/57/00/569495700.db2.gz MPXXMSMGRPKSBQ-JOCHJYFZSA-N -1 0 430.508 3.709 50 0 biogenic IHAARM O=C(Nc1ccc2c(c1)OCCO2)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009151982 569507677 /nfs/dbraw/zinc/50/76/77/569507677.db2.gz IIDWENUAKCUQIA-UHFFFAOYSA-N -1 0 445.884 3.559 50 0 IHAARM CCN1c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000009170838 569509408 /nfs/dbraw/zinc/50/94/08/569509408.db2.gz KAHJVPSAIWYZBA-UHFFFAOYSA-N -1 0 438.933 3.921 50 0 IHAARM CCCN1c2cc([N-]S(=O)(=O)c3cc(C)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000009171935 569509473 /nfs/dbraw/zinc/50/94/73/569509473.db2.gz KPMJWSCARRXHHT-UHFFFAOYSA-N -1 0 432.542 3.966 50 0 IHAARM CCCN1c2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000009171694 569509482 /nfs/dbraw/zinc/50/94/82/569509482.db2.gz FBRUZFUSSQJFQW-UHFFFAOYSA-N -1 0 448.541 3.666 50 0 IHAARM CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2csnn2)cc1 ZINC000009250856 569515788 /nfs/dbraw/zinc/51/57/88/569515788.db2.gz DWNGDMYBRXZXQS-UHFFFAOYSA-N -1 0 436.449 3.966 50 0 IHAARM CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000009285237 569519190 /nfs/dbraw/zinc/51/91/90/569519190.db2.gz LWASJSWQVVAXGO-UHFFFAOYSA-N -1 0 427.482 3.542 50 0 IHAARM Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(S(=O)(=O)c2ccccc2)c3[O-])cc1 ZINC000009429676 569533710 /nfs/dbraw/zinc/53/37/10/569533710.db2.gz ROXMLEXYYUEHHA-UHFFFAOYSA-N -1 0 434.473 3.627 50 0 IHAARM Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(S(=O)(=O)c2ccccc2)c3[O-])c1 ZINC000009429686 569533716 /nfs/dbraw/zinc/53/37/16/569533716.db2.gz NLQYVAKUGGKITP-UHFFFAOYSA-N -1 0 434.473 3.627 50 0 IHAARM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1cc(Br)ccc1Br ZINC000009440025 569535155 /nfs/dbraw/zinc/53/51/55/569535155.db2.gz WKWYGNHNTKVVKS-UHFFFAOYSA-N -1 0 435.093 3.741 50 0 IHAARM CCOCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000009509563 569542581 /nfs/dbraw/zinc/54/25/81/569542581.db2.gz GBKJQFKWODXRIH-UHFFFAOYSA-N -1 0 447.738 3.878 50 0 IHAARM CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC(=O)[O-] ZINC000009635139 569554602 /nfs/dbraw/zinc/55/46/02/569554602.db2.gz BEALUNKZKCKXNC-LBPRGKRZSA-N -1 0 448.936 3.580 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccccc3CC)c2)on1 ZINC000009637580 569554781 /nfs/dbraw/zinc/55/47/81/569554781.db2.gz JQBNVCQESNIJOO-UHFFFAOYSA-N -1 0 430.482 3.890 50 0 IHAARM 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ZINC000033028975 556709242 /nfs/dbraw/zinc/70/92/42/556709242.db2.gz VJUGJYZGXJJGJK-UHFFFAOYSA-N -1 0 430.457 3.901 50 0 IHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)cc1OC ZINC000061717946 556724424 /nfs/dbraw/zinc/72/44/24/556724424.db2.gz XAOOFZIZZYTCSG-OAHLLOKOSA-N -1 0 428.391 3.945 50 0 IHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000002620080 556800577 /nfs/dbraw/zinc/80/05/77/556800577.db2.gz WXUJXEPKMVVMKD-UHFFFAOYSA-N -1 0 428.432 3.545 50 0 IHAARM COc1ccccc1NC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[n-]n3c2=O)C1 ZINC000097942007 556812743 /nfs/dbraw/zinc/81/27/43/556812743.db2.gz JLLHAHZKTIHUSW-UHFFFAOYSA-N -1 0 449.898 3.942 50 0 IHAARM O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])OCc1ccccc1 ZINC000089836622 556849764 /nfs/dbraw/zinc/84/97/64/556849764.db2.gz KPKOEKUUMQYNIY-UHFFFAOYSA-N -1 0 442.453 3.649 50 0 IHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCN(c2ccccc2)CC1 ZINC000033253084 556893467 /nfs/dbraw/zinc/89/34/67/556893467.db2.gz MDLFOYZEBYOKAX-UHFFFAOYSA-N -1 0 437.521 3.512 50 0 IHAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCS4)sc2c1 ZINC000032943676 557021119 /nfs/dbraw/zinc/02/11/19/557021119.db2.gz SZJFGFAODYFUHN-UHFFFAOYSA-N -1 0 449.579 3.954 50 0 IHAARM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCOCC1 ZINC000022960522 557054652 /nfs/dbraw/zinc/05/46/52/557054652.db2.gz AARXEEOXDABLLS-UHFFFAOYSA-N -1 0 430.570 3.874 50 0 IHAARM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl ZINC000006171861 557121485 /nfs/dbraw/zinc/12/14/85/557121485.db2.gz MRGXWZBAWRDYKN-UHFFFAOYSA-N -1 0 436.917 3.902 50 0 IHAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)CCCCCC2 ZINC000000670445 557132843 /nfs/dbraw/zinc/13/28/43/557132843.db2.gz YOWPXNUWVVVHSU-UHFFFAOYSA-N -1 0 436.555 3.953 50 0 IHAARM COc1ccc(NC(=O)c2cc(Cl)cn2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000026810226 557249082 /nfs/dbraw/zinc/24/90/82/557249082.db2.gz DCZDREASPCUBKE-UHFFFAOYSA-N -1 0 437.880 3.879 50 0 IHAARM CCCCCn1c(=O)c(C(=O)Nc2nc(CC(=O)OCC)cs2)c([O-])c2ccccc21 ZINC000100564262 557264773 /nfs/dbraw/zinc/26/47/73/557264773.db2.gz KXASKXHCRYRFJJ-UHFFFAOYSA-N -1 0 443.525 3.712 50 0 IHAARM Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)no2)cc1C ZINC000027663764 557269987 /nfs/dbraw/zinc/26/99/87/557269987.db2.gz PPFGZNIQODEODX-UHFFFAOYSA-N -1 0 449.492 3.802 50 0 IHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)cc1OC ZINC000101681581 557295065 /nfs/dbraw/zinc/29/50/65/557295065.db2.gz SJGJEONYSFMSRL-SYJIQKIWSA-N -1 0 446.463 3.801 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)c1C ZINC000000839181 557337093 /nfs/dbraw/zinc/33/70/93/557337093.db2.gz RFSXBXNNBCVJFG-UHFFFAOYSA-N -1 0 429.498 3.727 50 0 IHAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000102725444 557369542 /nfs/dbraw/zinc/36/95/42/557369542.db2.gz CGDNNSCPXPIDBQ-XPWALMASSA-N -1 0 429.476 3.922 50 0 IHAARM CCOC(=O)C(=C(O)CSc1nnc(C)n1-c1cccc(C)c1)c1nc(C)cs1 ZINC000103034679 557416004 /nfs/dbraw/zinc/41/60/04/557416004.db2.gz AWBPHRLZQAMEPQ-QGZVFWFLSA-N -1 0 430.555 3.657 50 0 IHAARM CCOC(=O)C(=C(O)CSc1nnc(C)n1-c1cccc(C)c1)c1nc(C)cs1 ZINC000103034682 557416054 /nfs/dbraw/zinc/41/60/54/557416054.db2.gz AWBPHRLZQAMEPQ-KRWDZBQOSA-N -1 0 430.555 3.657 50 0 IHAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000014869180 557454520 /nfs/dbraw/zinc/45/45/20/557454520.db2.gz GBKUWSLTVVOVJU-UHFFFAOYSA-N -1 0 431.258 3.655 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000046914583 557513814 /nfs/dbraw/zinc/51/38/14/557513814.db2.gz ZLICZTVLXJUHIV-UHFFFAOYSA-N -1 0 428.445 3.989 50 0 IHAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc(N4CCCCC4)n3C3CC3)c12 ZINC000025048914 557856656 /nfs/dbraw/zinc/85/66/56/557856656.db2.gz QQPWLDMAIYVQSE-UHFFFAOYSA-N -1 0 445.570 3.805 50 0 IHAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002104475 562925818 /nfs/dbraw/zinc/92/58/18/562925818.db2.gz ZIUUQUVOMKEGBZ-KRWDZBQOSA-N -1 0 443.521 3.591 50 0 biogenic IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)no1 ZINC000006142775 562946328 /nfs/dbraw/zinc/94/63/28/562946328.db2.gz UTSZWNHJYWXBEE-ZDUSSCGKSA-N -1 0 435.889 3.843 50 0 IHAARM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2)c1ccccc1 ZINC000008691515 562963441 /nfs/dbraw/zinc/96/34/41/562963441.db2.gz VHJSCQSNCPYRRD-FPOVZHCZSA-N -1 0 429.863 3.957 50 0 aggregator IHAARM Cc1cc(C)c(NC(=O)CSc2nnc3c4ccccc4n(CC(=O)[O-])c3n2)c(C)c1 ZINC000008873364 562965609 /nfs/dbraw/zinc/96/56/09/562965609.db2.gz WALRYUOHQYMQNZ-UHFFFAOYSA-N -1 0 435.509 3.720 50 0 IHAARM COC(=O)[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000018992853 568631292 /nfs/dbraw/zinc/63/12/92/568631292.db2.gz VCCOZKPRDMVXIM-SFHVURJKSA-N -1 0 431.491 3.620 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)n1 ZINC000000913175 568636858 /nfs/dbraw/zinc/63/68/58/568636858.db2.gz YBZPGEKBAYLBCF-UHFFFAOYSA-N -1 0 446.916 3.565 50 0 IHAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000001074987 568656567 /nfs/dbraw/zinc/65/65/67/568656567.db2.gz NHLWVTUJBCLMLB-UHFFFAOYSA-N -1 0 440.378 3.812 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccc(Br)cc3s2)cc1 ZINC000001113676 568659879 /nfs/dbraw/zinc/65/98/79/568659879.db2.gz HXWRLNYMDVYUAQ-UHFFFAOYSA-N -1 0 426.317 3.818 50 0 IHAARM COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000001185442 568736201 /nfs/dbraw/zinc/73/62/01/568736201.db2.gz XRHJFZNAPLHHLW-QGOAFFKASA-N -1 0 440.477 3.849 50 0 IHAARM CCCCOc1ccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)cc1OC ZINC000034766785 568737970 /nfs/dbraw/zinc/73/79/70/568737970.db2.gz IDZGNTRUICLJAV-UHFFFAOYSA-N -1 0 428.533 3.813 50 0 IHAARM CC(NCc1ccccc1C(F)(F)F)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000001407446 568787271 /nfs/dbraw/zinc/78/72/71/568787271.db2.gz MPSXMYGTQWZSGJ-NBVRZTHBSA-N -1 0 431.414 3.969 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(C)s1 ZINC000032532521 568812744 /nfs/dbraw/zinc/81/27/44/568812744.db2.gz FYALZEFQZJPOGI-ZDUSSCGKSA-N -1 0 428.601 3.586 50 0 IHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000015730811 568814243 /nfs/dbraw/zinc/81/42/43/568814243.db2.gz GYEGETPTXINWNU-CYBMUJFWSA-N -1 0 436.555 3.965 50 0 IHAARM Cc1ccc(CN(C(=O)C(C)C)c2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)cc1 ZINC000101776699 568856165 /nfs/dbraw/zinc/85/61/65/568856165.db2.gz BNNTZLYWLLOBDI-UHFFFAOYSA-N -1 0 429.524 3.814 50 0 IHAARM O=C([O-])C[C@@H](CC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1)c1cccs1 ZINC000090607343 568897975 /nfs/dbraw/zinc/89/79/75/568897975.db2.gz PXKLFZJEJWDQPB-QGZVFWFLSA-N -1 0 430.526 3.724 50 0 IHAARM COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C(=O)[O-] ZINC000053994371 568916556 /nfs/dbraw/zinc/91/65/56/568916556.db2.gz DVHLBUCDHCXJRC-UHFFFAOYSA-N -1 0 432.523 3.571 50 0 IHAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000035829422 568927901 /nfs/dbraw/zinc/92/79/01/568927901.db2.gz IDBGELSBFLILEM-GRSHGNNSSA-N -1 0 433.855 3.504 50 0 IHAARM CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000016690214 568938595 /nfs/dbraw/zinc/93/85/95/568938595.db2.gz CCSRXRDCVJPSBS-INIZCTEOSA-N -1 0 449.964 3.576 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2C)[n-]c1=O ZINC000064774858 568954071 /nfs/dbraw/zinc/95/40/71/568954071.db2.gz FUFDTSLHEACFSE-UHFFFAOYSA-N -1 0 441.488 3.689 50 0 IHAARM CN1c2cc(F)ccc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2F)C1=O ZINC000036359092 569085492 /nfs/dbraw/zinc/08/54/92/569085492.db2.gz WCYBUYCONRWRNE-JOCHJYFZSA-N -1 0 440.427 3.996 50 0 IHAARM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000065097652 569104025 /nfs/dbraw/zinc/10/40/25/569104025.db2.gz WSRDDROTTNTHOU-UHFFFAOYSA-N -1 0 446.554 3.760 50 0 IHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000065115905 569106971 /nfs/dbraw/zinc/10/69/71/569106971.db2.gz QPLOIPZJCRMJFL-UHFFFAOYSA-N -1 0 443.481 3.620 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000065116130 569107121 /nfs/dbraw/zinc/10/71/21/569107121.db2.gz SCJDYYCEVSAQIF-UHFFFAOYSA-N -1 0 433.461 3.811 50 0 IHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)o1 ZINC000065194118 569114699 /nfs/dbraw/zinc/11/46/99/569114699.db2.gz RHAUORXKEWZXIV-UHFFFAOYSA-N -1 0 430.408 3.700 50 0 IHAARM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)NCc1ccco1 ZINC000016840445 569163120 /nfs/dbraw/zinc/16/31/20/569163120.db2.gz OMWHIHZOIAGNFM-UHFFFAOYSA-N -1 0 430.536 3.506 50 0 IHAARM CCOc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c2c1 ZINC000089914147 569167530 /nfs/dbraw/zinc/16/75/30/569167530.db2.gz JJVDUBYQSJTBTG-JOCHJYFZSA-N -1 0 447.491 3.778 50 0 IHAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)ccc12 ZINC000002118595 569182661 /nfs/dbraw/zinc/18/26/61/569182661.db2.gz UIVZQBXNCBZHEI-UHFFFAOYSA-N -1 0 449.503 3.688 50 0 biogenic IHAARM COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(C)c12 ZINC000002119959 569182777 /nfs/dbraw/zinc/18/27/77/569182777.db2.gz IQPXNVQVOQMUMN-UHFFFAOYSA-N -1 0 449.503 3.606 50 0 biogenic IHAARM CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)[O-] ZINC000002146514 569187019 /nfs/dbraw/zinc/18/70/19/569187019.db2.gz DMWOBBWCACNISE-WNSKOXEYSA-N -1 0 437.492 3.687 50 0 biogenic IHAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002158654 569187738 /nfs/dbraw/zinc/18/77/38/569187738.db2.gz KGZYRBQBMNTVDP-KRWDZBQOSA-N -1 0 443.521 3.510 50 0 biogenic IHAARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1coc2ccccc2c1=O ZINC000253403000 569264936 /nfs/dbraw/zinc/26/49/36/569264936.db2.gz GVWQHIHWRSFMGE-ZDUSSCGKSA-N -1 0 432.384 3.557 50 0 biogenic IHAARM CCOCCCNC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000013349497 569313131 /nfs/dbraw/zinc/31/31/31/569313131.db2.gz XHJURMDYXQKSCG-UHFFFAOYSA-N -1 0 448.570 3.954 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCCc4ccccc4)c3=O)c2c1 ZINC000020330516 569360732 /nfs/dbraw/zinc/36/07/32/569360732.db2.gz VUILKYXNNRCGKZ-UHFFFAOYSA-N -1 0 436.537 3.688 50 0 IHAARM Cc1ccc(-c2nnc(CCC(=O)N[C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)o2)cc1 ZINC000095424565 569365832 /nfs/dbraw/zinc/36/58/32/569365832.db2.gz WGGUEWYTGANTDD-GOSISDBHSA-N -1 0 433.386 3.939 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)c1ccc(Cl)cc1Cl ZINC000095446980 569367490 /nfs/dbraw/zinc/36/74/90/569367490.db2.gz KYYNHAGYTUWDML-UHFFFAOYSA-N -1 0 429.310 3.898 50 0 IHAARM C[C@H](CN(Cc1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1)C(=O)[O-] ZINC000095463862 569370445 /nfs/dbraw/zinc/37/04/45/569370445.db2.gz XEWXYTKTAIHZLS-OAHLLOKOSA-N -1 0 442.313 3.998 50 0 IHAARM COCCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)c(Br)s3)c2C1 ZINC000096013485 569380317 /nfs/dbraw/zinc/38/03/17/569380317.db2.gz VQVLXIFDZFAYPV-UHFFFAOYSA-N -1 0 445.404 3.972 50 0 IHAARM [O-]c1c(Br)cc(N2N=CN3NC=C(c4ccccc4)N=C32)cc1Br ZINC000096592193 569401909 /nfs/dbraw/zinc/40/19/09/569401909.db2.gz AVTZEAXWPGWTSA-UHFFFAOYSA-N -1 0 449.106 3.855 50 0 IHAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CCN(C(=O)Nc2ccc(Cl)cc2)C4)cc1 ZINC000097161545 569403297 /nfs/dbraw/zinc/40/32/97/569403297.db2.gz YGJRZYDKDVERKT-UHFFFAOYSA-N -1 0 449.898 3.942 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000002484064 569405082 /nfs/dbraw/zinc/40/50/82/569405082.db2.gz SWJSXQSNXPOVHH-YRSZXAOTSA-N -1 0 429.859 3.975 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000002484062 569405091 /nfs/dbraw/zinc/40/50/91/569405091.db2.gz SWJSXQSNXPOVHH-IYZJKTGWSA-N -1 0 429.859 3.975 50 0 IHAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000002643327 569413898 /nfs/dbraw/zinc/41/38/98/569413898.db2.gz NYNDJOIQPRBRIO-UHFFFAOYSA-N -1 0 441.484 3.515 50 0 IHAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C(=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000230035979 569418170 /nfs/dbraw/zinc/41/81/70/569418170.db2.gz OQASDXQACGOCDP-BHDDXSALSA-N -1 0 428.444 3.744 50 0 IHAARM Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000002804240 569422537 /nfs/dbraw/zinc/42/25/37/569422537.db2.gz OCKBRDNQNAKOOY-UHFFFAOYSA-N -1 0 427.452 3.697 50 0 IHAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000002804592 569422609 /nfs/dbraw/zinc/42/26/09/569422609.db2.gz ZWVKOUWBONDSHN-UHFFFAOYSA-N -1 0 434.736 3.734 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003356919 569447650 /nfs/dbraw/zinc/44/76/50/569447650.db2.gz SRONFZNZVIXKDO-UHFFFAOYSA-N -1 0 440.477 3.520 50 0 IHAARM COc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc(OC)c1 ZINC000032145655 569460464 /nfs/dbraw/zinc/46/04/64/569460464.db2.gz SOMWRHSUYUSAJL-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM O=C(c1cccc([S-])c1)N1C[C@](O)(C(F)(F)F)C(c2ccc(Br)cc2)=N1 ZINC000008385619 569462656 /nfs/dbraw/zinc/46/26/56/569462656.db2.gz RLPKTCWLVJMYFS-MRXNPFEDSA-N -1 0 445.260 3.891 50 0 IHAARM COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4cc(Cl)c([O-])cc4oc3=O)c2c1 ZINC000008877105 569481202 /nfs/dbraw/zinc/48/12/02/569481202.db2.gz ZIHGZHCWKULTNC-UHFFFAOYSA-N -1 0 440.883 3.852 50 0 biogenic IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])C(C)C)OC1(CCCCC1)CC3 ZINC000008880021 569481455 /nfs/dbraw/zinc/48/14/55/569481455.db2.gz XXDQWHTWMFHMTN-QFIPXVFZSA-N -1 0 441.524 3.897 50 0 biogenic IHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc4nccnc4c3)C2)cc1OC ZINC000039563652 569481766 /nfs/dbraw/zinc/48/17/66/569481766.db2.gz CXMSQGMHCDJEEX-HXUWFJFHSA-N -1 0 448.479 3.580 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)NCCC3=CCCCC3)s2)cc1 ZINC000008979021 569493048 /nfs/dbraw/zinc/49/30/48/569493048.db2.gz HMIVEVNCXHINTB-UHFFFAOYSA-N -1 0 435.571 3.881 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(-c2cccc(Cl)c2)c1=O ZINC000008994708 569495578 /nfs/dbraw/zinc/49/55/78/569495578.db2.gz DXMNQVGVGLLPHX-HXUWFJFHSA-N -1 0 436.899 3.746 50 0 IHAARM COc1cccc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1 ZINC000040426100 569502939 /nfs/dbraw/zinc/50/29/39/569502939.db2.gz LZIKWCSDAQLTOK-UHFFFAOYSA-N -1 0 432.402 3.521 50 0 IHAARM O=C(NCCCn1cnc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009203784 569511260 /nfs/dbraw/zinc/51/12/60/569511260.db2.gz VBUFGMNEKIOMOJ-UHFFFAOYSA-N -1 0 440.550 3.719 50 0 IHAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000009300318 569520665 /nfs/dbraw/zinc/52/06/65/569520665.db2.gz FVMDGTKDAVTVJR-UHFFFAOYSA-N -1 0 444.896 3.902 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCC1 ZINC000009349100 569524665 /nfs/dbraw/zinc/52/46/65/569524665.db2.gz OLMZRTBTHZQJOS-UHFFFAOYSA-N -1 0 441.509 3.942 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1C(C)C ZINC000009356450 569525433 /nfs/dbraw/zinc/52/54/33/569525433.db2.gz XSOSZFQVBOLZNB-MRXNPFEDSA-N -1 0 432.542 3.528 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)n3C)ccc2OC)cc1 ZINC000009467642 569538446 /nfs/dbraw/zinc/53/84/46/569538446.db2.gz BIGQZGFYUIRLGD-UHFFFAOYSA-N -1 0 443.525 3.794 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)on1 ZINC000009637672 569554881 /nfs/dbraw/zinc/55/48/81/569554881.db2.gz MWRHTYHOLKINFF-UHFFFAOYSA-N -1 0 430.482 3.945 50 0 IHAARM COc1ccc(Cl)cc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009821777 569569523 /nfs/dbraw/zinc/56/95/23/569569523.db2.gz NRFATHZGHUSUKG-UHFFFAOYSA-N -1 0 437.930 3.787 50 0 IHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000009970925 569576203 /nfs/dbraw/zinc/57/62/03/569576203.db2.gz UIULAQLROPBQHY-UHFFFAOYSA-N -1 0 439.493 3.707 50 0 IHAARM CCOc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)cc1 ZINC000009087130 132302195 /nfs/dbraw/zinc/30/21/95/132302195.db2.gz SWAIESJMPIEHQP-VWLOTQADSA-N -1 0 429.476 3.705 50 0 IHAARM CCOc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)cc1 ZINC000009087129 132302198 /nfs/dbraw/zinc/30/21/98/132302198.db2.gz SWAIESJMPIEHQP-RUZDIDTESA-N -1 0 429.476 3.705 50 0 IHAARM Cc1cccc(N2C(=O)[N-]C(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)c1 ZINC000013464639 132346993 /nfs/dbraw/zinc/34/69/93/132346993.db2.gz QRMZFMDBAWDMGD-UHFFFAOYSA-N -1 0 428.492 3.620 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000021882693 519713254 /nfs/dbraw/zinc/71/32/54/519713254.db2.gz HBERKKPZVWEGFH-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000021931328 519731571 /nfs/dbraw/zinc/73/15/71/519731571.db2.gz BTKBAVWQRYOQIS-UHFFFAOYSA-N -1 0 438.509 3.710 50 0 IHAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)NC1CCCCC1 ZINC000012394636 520617526 /nfs/dbraw/zinc/61/75/26/520617526.db2.gz ZFSHQDPYFQBXOH-CMDGGOBGSA-N -1 0 426.307 3.773 50 0 IHAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(Cl)cc1Cl ZINC000022258727 520782966 /nfs/dbraw/zinc/78/29/66/520782966.db2.gz DVFFIIQOYHQMCU-UHFFFAOYSA-N -1 0 445.324 3.974 50 0 IHAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000012348408 521014147 /nfs/dbraw/zinc/01/41/47/521014147.db2.gz PNDXJZCTTFJDJT-UHFFFAOYSA-N -1 0 430.917 3.539 50 0 IHAARM CC[C@H](Sc1[n-]c2ccccc2c(=O)c1C(=O)OC)C(=O)Nc1cccc(OC)c1 ZINC000021888240 522916724 /nfs/dbraw/zinc/91/67/24/522916724.db2.gz GLKYDNWHRSTGND-KRWDZBQOSA-N -1 0 426.494 3.833 50 0 IHAARM COc1ccc(CCn2c(=O)cc3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2C)cc1 ZINC000018265782 523984926 /nfs/dbraw/zinc/98/49/26/523984926.db2.gz KJYCIPWGCPJWMD-UHFFFAOYSA-N -1 0 432.505 3.650 50 0 IHAARM COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012526355 524471805 /nfs/dbraw/zinc/47/18/05/524471805.db2.gz VVDARIQXZDHCOE-UHFFFAOYSA-N -1 0 439.331 3.997 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(Cl)cc3)c2)cc1OC ZINC000021931822 525089062 /nfs/dbraw/zinc/08/90/62/525089062.db2.gz DMWQOMCEOFDYGG-UHFFFAOYSA-N -1 0 447.900 3.805 50 0 IHAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)Nc2ccccc2)cc1 ZINC000012584791 525264872 /nfs/dbraw/zinc/26/48/72/525264872.db2.gz XRGMLJMUNAXXHZ-UHFFFAOYSA-N -1 0 445.522 3.535 50 0 IHAARM COc1cccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)c1 ZINC000020744612 526154748 /nfs/dbraw/zinc/15/47/48/526154748.db2.gz ZQOZRONDLAUCRW-HXUWFJFHSA-N -1 0 444.329 3.887 50 0 IHAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017097115 526316320 /nfs/dbraw/zinc/31/63/20/526316320.db2.gz PSSBOJMQGNBQBN-YCWMGOOZSA-N -1 0 430.570 3.985 50 0 IHAARM [O-]c1c([C@H](c2ccccc2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 ZINC000022851778 526332063 /nfs/dbraw/zinc/33/20/63/526332063.db2.gz CODXVIRYHPPVKH-KRWDZBQOSA-N -1 0 438.509 3.685 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012630311 527258242 /nfs/dbraw/zinc/25/82/42/527258242.db2.gz RRGISKKUYCHQGK-MRXNPFEDSA-N -1 0 435.914 3.540 50 0 IHAARM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000012510661 527541410 /nfs/dbraw/zinc/54/14/10/527541410.db2.gz KYMDZHOOJTUXTB-UHFFFAOYSA-N -1 0 433.537 3.568 50 0 IHAARM CC1(C)Cc2c3c(N)c(-c4cc(C(=O)[O-])co4)sc3nc(N3CCOCC3)c2CO1 ZINC000013483259 534943944 /nfs/dbraw/zinc/94/39/44/534943944.db2.gz TZRFXTYXWUVQQE-UHFFFAOYSA-N -1 0 429.498 3.525 50 0 IHAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(C)c1 ZINC000000682497 555538013 /nfs/dbraw/zinc/53/80/13/555538013.db2.gz XWZTYHHDLMKELD-UHFFFAOYSA-N -1 0 440.525 3.529 50 0 IHAARM CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000000707843 555545389 /nfs/dbraw/zinc/54/53/89/555545389.db2.gz MRQCQNCTUKDNRE-KWMZMRFFSA-N -1 0 437.451 3.525 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)n1 ZINC000000815483 555561890 /nfs/dbraw/zinc/56/18/90/555561890.db2.gz AJMKGEDCWBTNCO-UHFFFAOYSA-N -1 0 434.880 3.560 50 0 IHAARM CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000913109 555582830 /nfs/dbraw/zinc/58/28/30/555582830.db2.gz BXRJPUFWPKJPOD-UKRRQHHQSA-N -1 0 441.340 3.807 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)no1 ZINC000000990413 555595999 /nfs/dbraw/zinc/59/59/99/555595999.db2.gz FTRDUAXYFLXZHI-UHFFFAOYSA-N -1 0 436.287 3.799 50 0 IHAARM COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3C)cc2C1=O ZINC000001208868 555681557 /nfs/dbraw/zinc/68/15/57/555681557.db2.gz GHEBZMSDVYXXDE-UHFFFAOYSA-N -1 0 430.416 3.755 50 0 IHAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O ZINC000002462381 555782859 /nfs/dbraw/zinc/78/28/59/555782859.db2.gz JRSZFEWNUHUIAZ-UHFFFAOYSA-N -1 0 426.384 3.662 50 0 IHAARM CC(C)(C)OC(=O)N[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560681 555787630 /nfs/dbraw/zinc/78/76/30/555787630.db2.gz MJZDTTZGQUEOBL-FQEVSTJZSA-N -1 0 440.496 3.893 50 0 IHAARM COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000002819343 555829418 /nfs/dbraw/zinc/82/94/18/555829418.db2.gz KSXZVUFCPFTZBR-UNOMPAQXSA-N -1 0 443.477 3.582 50 0 IHAARM O=C1N[C@@H](c2cccc(Br)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000004018791 555953073 /nfs/dbraw/zinc/95/30/73/555953073.db2.gz FXQFDOMPUROYRM-HUBLWGQQSA-N -1 0 449.248 3.615 50 0 IHAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(I)cc2)C[C@H]1C(=O)[O-] ZINC000004241488 555978731 /nfs/dbraw/zinc/97/87/31/555978731.db2.gz HFFAEFOIUNDPAA-OCCSQVGLSA-N -1 0 431.270 3.544 50 0 IHAARM COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000006731662 556102538 /nfs/dbraw/zinc/10/25/38/556102538.db2.gz HSSIJAFAYFFVJM-HVIDBACLSA-N -1 0 435.841 3.896 50 0 IHAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000002790798 556140264 /nfs/dbraw/zinc/14/02/64/556140264.db2.gz RBYSMYOHAJHASN-UHFFFAOYSA-N -1 0 427.869 3.895 50 0 IHAARM CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000002987955 556153909 /nfs/dbraw/zinc/15/39/09/556153909.db2.gz JOFRUBMSFYQXGO-WQRHYEAKSA-N -1 0 441.461 3.563 50 0 IHAARM CC(C)c1nccn1-c1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 ZINC000009130240 556248855 /nfs/dbraw/zinc/24/88/55/556248855.db2.gz AKWLIPHMAZCFHA-UHFFFAOYSA-N -1 0 446.916 3.895 50 0 IHAARM O=C([O-])c1ccc(Cl)cc1NC(=O)COc1ccc(I)cc1 ZINC000009287762 556272110 /nfs/dbraw/zinc/27/21/10/556272110.db2.gz LOJUOJHPUMOBCE-UHFFFAOYSA-N -1 0 431.613 3.660 50 0 IHAARM CCOC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(OCC(=O)[O-])cc3)C2=O)cc1 ZINC000009489460 556294860 /nfs/dbraw/zinc/29/48/60/556294860.db2.gz RWLOFNDULUYPIB-WQRHYEAKSA-N -1 0 441.461 3.563 50 0 IHAARM CCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1OCC(=O)[O-])Nc1ccccc1-2 ZINC000009601860 556302755 /nfs/dbraw/zinc/30/27/55/556302755.db2.gz KUQTVJNFPMJKGE-LJQANCHMSA-N -1 0 440.481 3.626 50 0 IHAARM CCOCc1ccccc1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000030177326 556491424 /nfs/dbraw/zinc/49/14/24/556491424.db2.gz VMLIWSCVKCFNEA-UHFFFAOYSA-N -1 0 444.578 3.944 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)ccc1F ZINC000015183366 556508660 /nfs/dbraw/zinc/50/86/60/556508660.db2.gz JVZZQJKVDITSDF-UHFFFAOYSA-N -1 0 446.475 3.747 50 0 IHAARM COc1ccc(-n2c(=O)c3c(nc2SCC(=O)[O-])sc2c3C[C@H](C(C)C)OC2)cc1 ZINC000013552512 556515260 /nfs/dbraw/zinc/51/52/60/556515260.db2.gz ZJRVXOQYTFKFOB-OAHLLOKOSA-N -1 0 446.550 3.730 50 0 IHAARM CC(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)[O-] ZINC000015721579 556545196 /nfs/dbraw/zinc/54/51/96/556545196.db2.gz MFOVFDBMJIPSLM-VWLOTQADSA-N -1 0 439.515 3.855 50 0 IHAARM Cc1cccc(N2C(=O)[N-]C(=O)C(CCc3ccccn3)(CCc3ccccn3)C2=O)c1C ZINC000016474479 556609944 /nfs/dbraw/zinc/60/99/44/556609944.db2.gz MVQFMVGCSUMOIA-UHFFFAOYSA-N -1 0 442.519 3.928 50 0 IHAARM Cc1cccc(C(=O)N2CCC(O)CC2)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000032926269 556655358 /nfs/dbraw/zinc/65/53/58/556655358.db2.gz ZPUARNGUHBNUOO-UHFFFAOYSA-N -1 0 443.352 3.700 50 0 IHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017094976 556658323 /nfs/dbraw/zinc/65/83/23/556658323.db2.gz NJTLEYCNKYVOGX-CVEARBPZSA-N -1 0 426.538 3.996 50 0 IHAARM CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2ccccc2C)C1 ZINC000017097011 556661006 /nfs/dbraw/zinc/66/10/06/556661006.db2.gz BQBAMIKSJLQGJM-AWEZNQCLSA-N -1 0 430.526 3.863 50 0 IHAARM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2)c1ccccc1 ZINC000100486642 556664110 /nfs/dbraw/zinc/66/41/10/556664110.db2.gz VHJSCQSNCPYRRD-TZIWHRDSSA-N -1 0 429.863 3.957 50 0 aggregator IHAARM CC[C@@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O)C(=O)[O-] ZINC000011866160 556665961 /nfs/dbraw/zinc/66/59/61/556665961.db2.gz YSCFPOPJRALVCE-QGZVFWFLSA-N -1 0 429.856 3.780 50 0 IHAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238950604 556682049 /nfs/dbraw/zinc/68/20/49/556682049.db2.gz YXDXKAPCDRCRNK-ULQDDVLXSA-N -1 0 429.513 3.910 50 0 biogenic IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000247639566 556686215 /nfs/dbraw/zinc/68/62/15/556686215.db2.gz GHCZAUBVMUEKKP-KYGFKBKVSA-N -1 0 449.632 3.594 50 0 IHAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000136634105 556690902 /nfs/dbraw/zinc/69/09/02/556690902.db2.gz VARXRXVMXBPTGE-PWRODBHTSA-N -1 0 432.407 3.575 50 0 IHAARM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(C)(C)C)nn3-c3ccccc3)ccc21 ZINC000058366012 556783145 /nfs/dbraw/zinc/78/31/45/556783145.db2.gz RIUQJKIWXIDVDL-UHFFFAOYSA-N -1 0 438.553 3.880 50 0 IHAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N3CCCC3)oc2C)cc1 ZINC000097940878 556811805 /nfs/dbraw/zinc/81/18/05/556811805.db2.gz UZVBFXAPDHHHAW-UHFFFAOYSA-N -1 0 428.514 3.577 50 0 IHAARM CCc1ccc(NC(=O)N2CCc3c(nc4cc(-c5ccc(OC)cc5)[n-]n4c3=O)C2)cc1 ZINC000097942015 556812783 /nfs/dbraw/zinc/81/27/83/556812783.db2.gz DWDYBDJLZOMBMR-UHFFFAOYSA-N -1 0 443.507 3.851 50 0 IHAARM CCC(=O)Nc1ccc2nc(N3CCN(Cc4ccccc4OC)CC3)cc(C(=O)[O-])c2c1 ZINC000033260751 556897590 /nfs/dbraw/zinc/89/75/90/556897590.db2.gz RFGRWTSKJFHWBC-UHFFFAOYSA-N -1 0 448.523 3.612 50 0 IHAARM CCOC(=O)c1c(C)c(C)sc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019789794 556914803 /nfs/dbraw/zinc/91/48/03/556914803.db2.gz FGRRWKJKTCQMOG-CQSZACIVSA-N -1 0 433.507 3.664 50 0 IHAARM CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccccc3)c2)c2c(c1=O)CCCC2 ZINC000046027859 557023886 /nfs/dbraw/zinc/02/38/86/557023886.db2.gz DIXIELLFTKEJFM-UHFFFAOYSA-N -1 0 439.537 3.618 50 0 IHAARM CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(=O)[O-])N(C(=O)OCc3ccccc3)C2)CC1 ZINC000091302579 557141039 /nfs/dbraw/zinc/14/10/39/557141039.db2.gz YEINFTFLMWCTAM-SFHVURJKSA-N -1 0 432.517 3.890 50 0 IHAARM CC(C)(C)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000024759035 557163964 /nfs/dbraw/zinc/16/39/64/557163964.db2.gz LYYLPGOZXIPPKA-UHFFFAOYSA-N -1 0 440.525 3.592 50 0 IHAARM Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC(C(=O)[O-])CC5)C4=O)cc3)sc2c1 ZINC000025392212 557207284 /nfs/dbraw/zinc/20/72/84/557207284.db2.gz SCLOSRAVTIJKJR-IBGZPJMESA-N -1 0 449.532 3.700 50 0 IHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000018240632 557253706 /nfs/dbraw/zinc/25/37/06/557253706.db2.gz GMEDJQYZTZSPDH-AWEZNQCLSA-N -1 0 438.896 3.784 50 0 IHAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCc3cccc(C)c3)Nc3ccccc3)C2=O)cc1 ZINC000101382430 557281937 /nfs/dbraw/zinc/28/19/37/557281937.db2.gz QUNRUSPJSSTGCK-FCQUAONHSA-N -1 0 440.503 4.000 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)N[C@H](C)CCc4ccccc4)c3=O)c2c1 ZINC000101497653 557289520 /nfs/dbraw/zinc/28/95/20/557289520.db2.gz RONPANZEFGBDDG-CQSZACIVSA-N -1 0 436.537 3.686 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)N[C@@H]4CCCc5ccccc54)c3=O)c2c1 ZINC000101497660 557289603 /nfs/dbraw/zinc/28/96/03/557289603.db2.gz YJSJUZVZJJXHCY-QGZVFWFLSA-N -1 0 434.521 3.743 50 0 IHAARM CCOc1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766294 557295782 /nfs/dbraw/zinc/29/57/82/557295782.db2.gz BIAJNRBGSUHKDK-IBGZPJMESA-N -1 0 437.521 3.546 50 0 IHAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(OC)cc3)cnn21 ZINC000101836522 557302925 /nfs/dbraw/zinc/30/29/25/557302925.db2.gz DEHGWSVBNJHQLP-IBGZPJMESA-N -1 0 434.452 3.526 50 0 IHAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)c1 ZINC000101893419 557306191 /nfs/dbraw/zinc/30/61/91/557306191.db2.gz JOXPZOPYVDLRMZ-MSOLQXFVSA-N -1 0 436.859 3.500 50 0 IHAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3Br)cc2[n-]c1=S ZINC000102170392 557313898 /nfs/dbraw/zinc/31/38/98/557313898.db2.gz SQBRLCHIGGSESX-LLVKDONJSA-N -1 0 432.343 3.959 50 0 IHAARM COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)c(Cl)c1Cl ZINC000104571023 557456781 /nfs/dbraw/zinc/45/67/81/557456781.db2.gz WTBFJAZBBUKUHX-UHFFFAOYSA-N -1 0 428.297 3.839 50 0 IHAARM CCc1ccccc1NC(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316758 557465429 /nfs/dbraw/zinc/46/54/29/557465429.db2.gz JPMQSXDUKVHHDM-UHFFFAOYSA-N -1 0 441.463 3.680 50 0 IHAARM C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000107528564 557536436 /nfs/dbraw/zinc/53/64/36/557536436.db2.gz RYNIUVHBZYNNGX-MNOVXSKESA-N -1 0 448.155 3.725 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000044803208 557537088 /nfs/dbraw/zinc/53/70/88/557537088.db2.gz XOAOOJNSQHSVMC-LBPRGKRZSA-N -1 0 441.488 3.769 50 0 IHAARM CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)[O-] ZINC000040312414 557712024 /nfs/dbraw/zinc/71/20/24/557712024.db2.gz MPPJPSAJSNNCAP-FQEVSTJZSA-N -1 0 426.538 3.933 50 0 biogenic IHAARM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccccc3S(=O)(=O)C(F)F)c2C1 ZINC000225450321 557724106 /nfs/dbraw/zinc/72/41/06/557724106.db2.gz SRBICASTGFQZTP-UHFFFAOYSA-N -1 0 444.525 3.599 50 0 IHAARM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnc(N(C)C)o3)cc2)c1 ZINC000225465123 557725880 /nfs/dbraw/zinc/72/58/80/557725880.db2.gz YWTQVHKKXBGFNB-UHFFFAOYSA-N -1 0 434.905 3.850 50 0 IHAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000225546309 557739903 /nfs/dbraw/zinc/73/99/03/557739903.db2.gz ZQKZBURMBWKISM-OAQYLSRUSA-N -1 0 427.570 3.705 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Br)cc1 ZINC000000842375 557797898 /nfs/dbraw/zinc/79/78/98/557797898.db2.gz NTDQZLQYBLSSGI-UHFFFAOYSA-N -1 0 438.328 3.959 50 0 IHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)N[C@H](C)c1ccccc1)c2=O ZINC000012415910 557835874 /nfs/dbraw/zinc/83/58/74/557835874.db2.gz FPVVXIVAVDDKIO-CQSZACIVSA-N -1 0 425.510 3.503 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)no1 ZINC000001904195 562925376 /nfs/dbraw/zinc/92/53/76/562925376.db2.gz PWIRAGJYIPCEFW-UHFFFAOYSA-N -1 0 429.498 3.890 50 0 aggregator IHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC(C(=O)[O-])CC1)oc1c3CCCC1 ZINC000002157452 562926049 /nfs/dbraw/zinc/92/60/49/562926049.db2.gz BMLWBZAVQVXKPY-UHFFFAOYSA-N -1 0 437.492 3.982 50 0 biogenic IHAARM COc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1O ZINC000044320291 568620076 /nfs/dbraw/zinc/62/00/76/568620076.db2.gz SXWVQIGAXHJFCT-OAQYLSRUSA-N -1 0 433.460 3.935 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)nc3)ccc2OC)cc1 ZINC000025080499 568635783 /nfs/dbraw/zinc/63/57/83/568635783.db2.gz HWURAFGSTJRVPW-UHFFFAOYSA-N -1 0 441.509 3.850 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)nc(C)n1 ZINC000000913161 568636713 /nfs/dbraw/zinc/63/67/13/568636713.db2.gz XWBYUASDEIDPTO-UHFFFAOYSA-N -1 0 446.916 3.565 50 0 IHAARM O=C(CSc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1)Nc1cccnc1 ZINC000043939686 568743672 /nfs/dbraw/zinc/74/36/72/568743672.db2.gz SHDIEIYKMXCXQE-UHFFFAOYSA-N -1 0 438.494 3.571 50 0 IHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006146644 568846250 /nfs/dbraw/zinc/84/62/50/568846250.db2.gz DRZWXSNBUMWELS-UHFFFAOYSA-N -1 0 442.468 3.958 50 0 IHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000016097010 568870367 /nfs/dbraw/zinc/87/03/67/568870367.db2.gz VTMPROHHOJEHPK-UHFFFAOYSA-N -1 0 436.489 3.957 50 0 IHAARM O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cnc([O-])n(-c2ccc(F)cc2)c1=O ZINC000575620116 568883041 /nfs/dbraw/zinc/88/30/41/568883041.db2.gz ODQWBAMPSAKMAH-UHFFFAOYSA-N -1 0 445.454 3.529 50 0 IHAARM O=S(=O)([N-]c1cc(OCc2ccccc2)ncn1)c1ccc(OC(F)(F)F)cc1 ZINC000090593556 568888947 /nfs/dbraw/zinc/88/89/47/568888947.db2.gz VKECUVIKMSQUOL-UHFFFAOYSA-N -1 0 425.388 3.755 50 0 IHAARM O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1Cl ZINC000013017242 568901689 /nfs/dbraw/zinc/90/16/89/568901689.db2.gz MJMPALNPCZNDHY-UHFFFAOYSA-N -1 0 440.750 3.826 50 0 IHAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2ON1c1ccccc1 ZINC000245311956 568914621 /nfs/dbraw/zinc/91/46/21/568914621.db2.gz QWLMNNQHHRXDKQ-HBMCJLEFSA-N -1 0 432.407 3.575 50 0 IHAARM COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000064580438 568934283 /nfs/dbraw/zinc/93/42/83/568934283.db2.gz XJIWIYCEJLTVGK-UHFFFAOYSA-N -1 0 439.537 3.742 50 0 IHAARM Cc1nn2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCCC3)O4)cnc2c1Cl ZINC000089534523 568936810 /nfs/dbraw/zinc/93/68/10/568936810.db2.gz SZONTWGAJPZPLS-UHFFFAOYSA-N -1 0 434.905 3.924 50 0 IHAARM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)cc1 ZINC000064774576 568953925 /nfs/dbraw/zinc/95/39/25/568953925.db2.gz XMIBVVHTEMRXAJ-UHFFFAOYSA-N -1 0 437.525 3.878 50 0 IHAARM Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c1 ZINC000064774574 568954014 /nfs/dbraw/zinc/95/40/14/568954014.db2.gz LMYNWHYHJSMWET-UHFFFAOYSA-N -1 0 437.525 3.878 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)[n-]c1=O ZINC000064774866 568954140 /nfs/dbraw/zinc/95/41/40/568954140.db2.gz YUAMTYWAGCSPRX-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000064774512 568954298 /nfs/dbraw/zinc/95/42/98/568954298.db2.gz MJGGNFPIZZQFIA-AWEZNQCLSA-N -1 0 437.525 3.939 50 0 IHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1 ZINC000064837394 568968900 /nfs/dbraw/zinc/96/89/00/568968900.db2.gz CDUWGYALYVPBSQ-UHFFFAOYSA-N -1 0 430.482 3.945 50 0 IHAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)C(=O)Nc3cc(F)ccc32)cc1 ZINC000036365135 569086822 /nfs/dbraw/zinc/08/68/22/569086822.db2.gz YCMVDTIQCLQRMH-QFIPXVFZSA-N -1 0 438.436 3.841 50 0 IHAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)sc2C)c1 ZINC000065116601 569107538 /nfs/dbraw/zinc/10/75/38/569107538.db2.gz MWXZHMZCVLACPZ-UHFFFAOYSA-N -1 0 446.554 3.706 50 0 IHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(Br)c2)o1 ZINC000065194146 569114726 /nfs/dbraw/zinc/11/47/26/569114726.db2.gz ILYULCZWPODBKS-UHFFFAOYSA-N -1 0 425.308 3.564 50 0 IHAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1C ZINC000065194618 569114777 /nfs/dbraw/zinc/11/47/77/569114777.db2.gz MKCLAIFLOHBOFA-UHFFFAOYSA-N -1 0 430.486 3.582 50 0 IHAARM CSc1ccc(-c2noc(-c3c([O-])c4cnn(Cc5ccccc5)c4[nH]c3=O)n2)cc1 ZINC000065256922 569123407 /nfs/dbraw/zinc/12/34/07/569123407.db2.gz OKSFMNSHZKYEJP-UHFFFAOYSA-N -1 0 431.477 3.917 50 0 IHAARM COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000007059995 569127962 /nfs/dbraw/zinc/12/79/62/569127962.db2.gz JLUFCFSGZOZCCC-LJQANCHMSA-N -1 0 426.469 3.645 50 0 IHAARM C/C(=C/C(=O)Nc1ccc(SCCC(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000037018941 569139635 /nfs/dbraw/zinc/13/96/35/569139635.db2.gz OBAHQSSXIDDUKG-OWBHPGMISA-N -1 0 442.493 3.548 50 0 IHAARM C[C@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)[C@H]1COc2ccccc21 ZINC000170592180 569141159 /nfs/dbraw/zinc/14/11/59/569141159.db2.gz CBNYNRIXQWEHPA-YVEFUNNKSA-N -1 0 445.397 3.884 50 0 IHAARM CC(C)(C)OC(=O)Nc1ccccc1-c1nc(CNS(=O)(=O)c2ccc(F)cc2)no1 ZINC000170615970 569146680 /nfs/dbraw/zinc/14/66/80/569146680.db2.gz WEPDVJVGVANUOJ-UHFFFAOYSA-N -1 0 448.476 3.701 50 0 IHAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc12 ZINC000002102050 569179738 /nfs/dbraw/zinc/17/97/38/569179738.db2.gz ZDAUMQYOSVJGGO-FQEVSTJZSA-N -1 0 433.460 3.901 50 0 biogenic IHAARM Cc1c(C)c2ccc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(C)c2oc1=O ZINC000002114209 569182207 /nfs/dbraw/zinc/18/22/07/569182207.db2.gz DAUZKCMABFABJP-GOSISDBHSA-N -1 0 443.883 3.563 50 0 biogenic IHAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc12 ZINC000002155899 569187585 /nfs/dbraw/zinc/18/75/85/569187585.db2.gz KWHODSGTNWCDHR-GOSISDBHSA-N -1 0 443.883 3.514 50 0 biogenic IHAARM Cc1cc(=O)n2nc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[n-]c2n1 ZINC000002257211 569215315 /nfs/dbraw/zinc/21/53/15/569215315.db2.gz JICMJIABLZDONW-UHFFFAOYSA-N -1 0 433.038 3.553 50 0 IHAARM COc1cc(/C=C/C(=O)[O-])cc(Br)c1OS(=O)(=O)c1ccc(C)cc1C ZINC000009960282 569298741 /nfs/dbraw/zinc/29/87/41/569298741.db2.gz AHFDWJLUYGRBHD-FNORWQNLSA-N -1 0 441.299 3.940 50 0 IHAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1cc(Br)ccc1F)N(C)C2=O ZINC000002455987 569311476 /nfs/dbraw/zinc/31/14/76/569311476.db2.gz WYFNGWRKMBANAH-IAGOWNOFSA-N -1 0 438.249 3.601 50 0 IHAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1cc(Br)ccc1F)N(C)C2=O ZINC000002455986 569311559 /nfs/dbraw/zinc/31/15/59/569311559.db2.gz WYFNGWRKMBANAH-DLBZAZTESA-N -1 0 438.249 3.601 50 0 IHAARM Cc1ccc(-c2nnc(CCC(=O)N[C@H](C(=O)[O-])c3ccccc3C(F)(F)F)o2)cc1 ZINC000095424564 569365907 /nfs/dbraw/zinc/36/59/07/569365907.db2.gz WGGUEWYTGANTDD-SFHVURJKSA-N -1 0 433.386 3.939 50 0 IHAARM O=C(c1cc2c(s1)CCCC2)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097097894 569403119 /nfs/dbraw/zinc/40/31/19/569403119.db2.gz LOIKVWOTTQMVJJ-UHFFFAOYSA-N -1 0 430.533 3.828 50 0 IHAARM COc1ccc(CCNC(=O)CCCCn2c(=O)c3sccc3[n-]c2=S)cc1OC ZINC000002925470 569425603 /nfs/dbraw/zinc/42/56/03/569425603.db2.gz OVDHZFPKHNYRCN-UHFFFAOYSA-N -1 0 447.582 3.667 50 0 IHAARM CCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000003255258 569443097 /nfs/dbraw/zinc/44/30/97/569443097.db2.gz SNAPJFHUCAGYQC-UHFFFAOYSA-N -1 0 432.527 3.991 50 0 IHAARM COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000003569907 569454180 /nfs/dbraw/zinc/45/41/80/569454180.db2.gz KSCCXGHBDHHBQA-UHFFFAOYSA-N -1 0 440.521 3.743 50 0 IHAARM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4ccc(CO)cc42)CC3)cc1 ZINC000031816303 569458002 /nfs/dbraw/zinc/45/80/02/569458002.db2.gz ASKNPQBBHSJLQN-JOCHJYFZSA-N -1 0 449.532 3.976 50 0 IHAARM CCc1c([O-])nc(SCC(=O)Nc2c(C)cccc2C)n(-c2ccc(F)cc2)c1=O ZINC000008575321 569469143 /nfs/dbraw/zinc/46/91/43/569469143.db2.gz JZAJJPWKGIMRHD-UHFFFAOYSA-N -1 0 427.501 3.987 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)NCCCc3ccccc3)s2)cc1 ZINC000008979040 569493026 /nfs/dbraw/zinc/49/30/26/569493026.db2.gz DAPHPFJALJZPOO-UHFFFAOYSA-N -1 0 445.566 3.624 50 0 IHAARM CC1(C)Cc2c(sc3nc(SCC(=O)[O-])n(CCc4ccccc4)c(=O)c23)CO1 ZINC000009042363 569497767 /nfs/dbraw/zinc/49/77/67/569497767.db2.gz ANLBROQOWYUOOF-UHFFFAOYSA-N -1 0 430.551 3.729 50 0 IHAARM CN1c2cc([N-]S(=O)(=O)c3ccccc3Br)ccc2OCC(C)(C)C1=O ZINC000009169835 569509236 /nfs/dbraw/zinc/50/92/36/569509236.db2.gz XVZAHPAHNRMUEW-UHFFFAOYSA-N -1 0 439.331 3.631 50 0 IHAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009170354 569509328 /nfs/dbraw/zinc/50/93/28/569509328.db2.gz WGUSTMGELVZOTK-UHFFFAOYSA-N -1 0 435.509 3.500 50 0 IHAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccccc1OC ZINC000009300230 569520637 /nfs/dbraw/zinc/52/06/37/569520637.db2.gz XWMZZZJVEQAXGS-UHFFFAOYSA-N -1 0 432.885 3.708 50 0 IHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cc1Cl ZINC000009318083 569522423 /nfs/dbraw/zinc/52/24/23/569522423.db2.gz GPFGXZZONATXFA-UHFFFAOYSA-N -1 0 436.711 3.929 50 0 IHAARM CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009423980 569532983 /nfs/dbraw/zinc/53/29/83/569532983.db2.gz VYPQCMAQRMPSBF-ISLYRVAYSA-N -1 0 426.860 3.657 50 0 IHAARM CCOC(=O)CSc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009587467 569549769 /nfs/dbraw/zinc/54/97/69/569549769.db2.gz CYONXKHKEWESBX-UHFFFAOYSA-N -1 0 437.930 3.739 50 0 IHAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(C)n1C ZINC000009685115 569560640 /nfs/dbraw/zinc/56/06/40/569560640.db2.gz WYBGNSNBZQSOJL-UHFFFAOYSA-N -1 0 427.929 3.861 50 0 IHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-n2c(C)nc3ccccc3c2=O)c1 ZINC000009715072 569562988 /nfs/dbraw/zinc/56/29/88/569562988.db2.gz ZSHOISLLXNMXIM-UHFFFAOYSA-N -1 0 439.468 3.643 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 ZINC000009828524 569569713 /nfs/dbraw/zinc/56/97/13/569569713.db2.gz GGMKQCNKMMCFGP-UHFFFAOYSA-N -1 0 425.894 3.918 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1ccc2[nH]ccc2c1 ZINC000013691157 569583527 /nfs/dbraw/zinc/58/35/27/569583527.db2.gz VDDHEINVQKBZCR-UHFFFAOYSA-N -1 0 430.486 3.746 50 0 IHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000001244919 132240646 /nfs/dbraw/zinc/24/06/46/132240646.db2.gz LIGOIMAYYOHCSW-UXHICEINSA-N -1 0 442.519 3.612 50 0 IHAARM COc1ccccc1N1CCN(c2ccccc2NC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000008438937 132281923 /nfs/dbraw/zinc/28/19/23/132281923.db2.gz BPKSSAMIUMVITC-UHFFFAOYSA-N -1 0 431.492 3.972 50 0 IHAARM COC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc(OC(F)F)cc1 ZINC000013060301 132343828 /nfs/dbraw/zinc/34/38/28/132343828.db2.gz DAOPSQXHGTVOCJ-KRWDZBQOSA-N -1 0 432.379 3.704 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000035377899 519750270 /nfs/dbraw/zinc/75/02/70/519750270.db2.gz PBLQFFRHQQGLOL-LLVKDONJSA-N -1 0 443.916 3.975 50 0 IHAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000241776908 521497583 /nfs/dbraw/zinc/49/75/83/521497583.db2.gz RTMBCDLUAITJCY-WOJBJXKFSA-N -1 0 428.510 3.507 50 0 IHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)c1 ZINC000033263884 521546134 /nfs/dbraw/zinc/54/61/34/521546134.db2.gz LKUGWYYBMOXFEO-UHFFFAOYSA-N -1 0 430.360 3.931 50 0 IHAARM CCc1ccccc1NC(=O)CSc1nnc(-c2cc(C)ccc2NC(C)=O)c(=O)[n-]1 ZINC000021882695 521879389 /nfs/dbraw/zinc/87/93/89/521879389.db2.gz SKLQGQNUHUPMAL-UHFFFAOYSA-N -1 0 437.525 3.804 50 0 IHAARM CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022854438 522534086 /nfs/dbraw/zinc/53/40/86/522534086.db2.gz KNSWAFAFYBIXOM-OAHLLOKOSA-N -1 0 426.373 3.702 50 0 IHAARM CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022854466 522537590 /nfs/dbraw/zinc/53/75/90/522537590.db2.gz QNNNOGWZFLRRHY-INIZCTEOSA-N -1 0 439.507 3.805 50 0 IHAARM CN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000022798401 523917544 /nfs/dbraw/zinc/91/75/44/523917544.db2.gz OZMFTEMXYICYPQ-MRXNPFEDSA-N -1 0 429.933 3.747 50 0 IHAARM C[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000017100866 524724326 /nfs/dbraw/zinc/72/43/26/524724326.db2.gz RBKVUBIGDCPGIC-LLVKDONJSA-N -1 0 436.917 3.818 50 0 IHAARM Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1-n1cccc1C(=O)[O-] ZINC000058185303 525287299 /nfs/dbraw/zinc/28/72/99/525287299.db2.gz LYRKBPDZPTWPEH-UHFFFAOYSA-N -1 0 439.493 3.560 50 0 IHAARM C[C@@H](Sc1nnc(-c2cccs2)n1CCC(=O)[O-])C(=O)NCCC1=CCCCC1 ZINC000012778986 526008571 /nfs/dbraw/zinc/00/85/71/526008571.db2.gz QZYUJLDHYCYHNG-CQSZACIVSA-N -1 0 434.587 3.969 50 0 IHAARM COc1cccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)c1 ZINC000020744613 526155106 /nfs/dbraw/zinc/15/51/06/526155106.db2.gz ZQOZRONDLAUCRW-FQEVSTJZSA-N -1 0 444.329 3.887 50 0 IHAARM C[C@H](c1nnc(SCc2nc(=O)c3sccc3[n-]2)n1-c1ccc(F)cc1)N(C)C ZINC000012517183 526189466 /nfs/dbraw/zinc/18/94/66/526189466.db2.gz UNEFMMKLYZIEEK-LLVKDONJSA-N -1 0 430.534 3.619 50 0 IHAARM Cc1ccc2nc(NC(=O)CSC3=Nc4ccc(F)cc4S(=O)(=O)[N-]3)sc2c1 ZINC000012361081 526253587 /nfs/dbraw/zinc/25/35/87/526253587.db2.gz SNTRSENKQYLVKF-UHFFFAOYSA-N -1 0 436.515 3.586 50 0 IHAARM Cc1noc(C)c1-n1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)s2)ccc1=O ZINC000012372271 526466447 /nfs/dbraw/zinc/46/64/47/526466447.db2.gz IKFBCIMGMCYWAE-UHFFFAOYSA-N -1 0 446.485 3.506 50 0 IHAARM Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)[O-] ZINC000012372395 526733477 /nfs/dbraw/zinc/73/34/77/526733477.db2.gz BMBXLIYGTUVGTH-HXUWFJFHSA-N -1 0 446.459 3.933 50 0 IHAARM O=C(c1oc2ccccc2c1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)N1CCOCC1 ZINC000012650522 526930291 /nfs/dbraw/zinc/93/02/91/526930291.db2.gz RSEJYJWFULZDRS-NTEUORMPSA-N -1 0 446.912 3.971 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000012557069 527257854 /nfs/dbraw/zinc/25/78/54/527257854.db2.gz SGOFHJTYCCRNOW-UHFFFAOYSA-N -1 0 438.440 3.929 50 0 IHAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000012631519 527531731 /nfs/dbraw/zinc/53/17/31/527531731.db2.gz IPDTVFKYKUTLRF-UHFFFAOYSA-N -1 0 425.333 3.530 50 0 IHAARM O=C([O-])CCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000022051782 527578227 /nfs/dbraw/zinc/57/82/27/527578227.db2.gz ALIFRMFPRBTNNH-WFXMLNOXSA-N -1 0 441.638 3.814 50 0 in-vitro IHAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)cc1 ZINC000000678806 555536293 /nfs/dbraw/zinc/53/62/93/555536293.db2.gz QIZPPBBFJDKZML-UHFFFAOYSA-N -1 0 432.885 3.986 50 0 IHAARM Cc1ccc(N2C(=O)c3ccc(S(=O)(=O)c4cccc(C(=O)[O-])c4)cc3C2=O)c(C)c1 ZINC000000822802 555564517 /nfs/dbraw/zinc/56/45/17/555564517.db2.gz WUHYQKACQMVDOH-UHFFFAOYSA-N -1 0 435.457 3.635 50 0 IHAARM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002569792 555787917 /nfs/dbraw/zinc/78/79/17/555787917.db2.gz LIWKOFAHRLBNMG-HXUWFJFHSA-N -1 0 440.496 3.893 50 0 IHAARM CC(C)(C)C(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002707027 555800774 /nfs/dbraw/zinc/80/07/74/555800774.db2.gz JXMOBCKZNZYILG-LLVKDONJSA-N -1 0 426.753 3.530 50 0 IHAARM CC(C)(C)C(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000002905322 555861336 /nfs/dbraw/zinc/86/13/36/555861336.db2.gz LHKZNIBSZNOOLF-LLVKDONJSA-N -1 0 426.753 3.530 50 0 IHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCc3cccs3)c(=O)[n-]2)c1 ZINC000034765121 555906124 /nfs/dbraw/zinc/90/61/24/555906124.db2.gz ICOVUFZCQBMGTE-OAHLLOKOSA-N -1 0 426.542 3.775 50 0 IHAARM CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3c(F)cccc3Cl)c2C)c(C)n1 ZINC000002792337 556144382 /nfs/dbraw/zinc/14/43/82/556144382.db2.gz ITMQKMHRANEXOW-UHFFFAOYSA-N -1 0 425.917 3.666 50 0 IHAARM O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1ccccc1 ZINC000002973738 556152400 /nfs/dbraw/zinc/15/24/00/556152400.db2.gz WGGVVYWTZFMBHS-UHFFFAOYSA-N -1 0 432.343 3.918 50 0 IHAARM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009191841 556254101 /nfs/dbraw/zinc/25/41/01/556254101.db2.gz PDCSQECJJCYARJ-MRXNPFEDSA-N -1 0 435.502 3.879 50 0 IHAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](C)Oc1ccccc1 ZINC000009260723 556268327 /nfs/dbraw/zinc/26/83/27/556268327.db2.gz FVXWKDUHBXHBLS-AWEZNQCLSA-N -1 0 426.498 3.867 50 0 IHAARM O=C(Nc1nccs1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013719730 556289029 /nfs/dbraw/zinc/28/90/29/556289029.db2.gz JSJFYGKOCHDKGK-UHFFFAOYSA-N -1 0 434.499 3.945 50 0 IHAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000013759257 556301529 /nfs/dbraw/zinc/30/15/29/556301529.db2.gz VARXRXVMXBPTGE-NJDAHSKKSA-N -1 0 432.407 3.575 50 0 IHAARM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1S(=O)(=O)N1CCCCCC1 ZINC000013058790 556449835 /nfs/dbraw/zinc/44/98/35/556449835.db2.gz AZFSJCAPZUPAMV-UHFFFAOYSA-N -1 0 444.525 3.639 50 0 IHAARM O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCC(CO)CC1 ZINC000072278506 556461348 /nfs/dbraw/zinc/46/13/48/556461348.db2.gz UHPXTZIHFKWXPY-UHFFFAOYSA-N -1 0 449.381 3.700 50 0 IHAARM CCc1cc2c(ncnc2SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000013253938 556501134 /nfs/dbraw/zinc/50/11/34/556501134.db2.gz BOVBQUPRTAFWPO-QGZVFWFLSA-N -1 0 440.550 3.639 50 0 IHAARM CCN(CC)C(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1C ZINC000013635554 556540811 /nfs/dbraw/zinc/54/08/11/556540811.db2.gz XGDMUUDFQBEONL-UHFFFAOYSA-N -1 0 437.565 3.798 50 0 IHAARM CC(=O)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000016007610 556573261 /nfs/dbraw/zinc/57/32/61/556573261.db2.gz NLLYAYVSSXMHDM-NZCWTCFWSA-N -1 0 442.446 3.981 50 0 IHAARM CCC[C@H](NC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O)C(=O)[O-] ZINC000011865716 556665436 /nfs/dbraw/zinc/66/54/36/556665436.db2.gz YSDYFTFHJDTAGW-SFHVURJKSA-N -1 0 425.437 3.642 50 0 IHAARM CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](Cc2cccc3ccccc32)C(=O)[O-])CC1 ZINC000044123603 556665786 /nfs/dbraw/zinc/66/57/86/556665786.db2.gz QEBXXFFMGSCYMI-HXUWFJFHSA-N -1 0 426.513 3.599 50 0 IHAARM O=C([O-])c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000018105492 556683837 /nfs/dbraw/zinc/68/38/37/556683837.db2.gz DXHRMYFWXHMXON-IBGZPJMESA-N -1 0 434.473 3.542 50 0 IHAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)c1OC ZINC000061721141 556728839 /nfs/dbraw/zinc/72/88/39/556728839.db2.gz ZHGGJXZHIGVBPX-HNNXBMFYSA-N -1 0 428.391 3.945 50 0 IHAARM COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000101790733 556753367 /nfs/dbraw/zinc/75/33/67/556753367.db2.gz APARKEVXSWZVIP-BHIFYINESA-N -1 0 446.434 3.663 50 0 IHAARM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C)cc(Br)c1[O-])CC3 ZINC000058391881 556784823 /nfs/dbraw/zinc/78/48/23/556784823.db2.gz RKXDDSYLJATOCY-UHFFFAOYSA-N -1 0 443.297 3.930 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)nc(C)n1 ZINC000003299828 556811223 /nfs/dbraw/zinc/81/12/23/556811223.db2.gz KIXHYVHLDSOSNT-UHFFFAOYSA-N -1 0 448.451 3.748 50 0 IHAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N3CCCC3)oc2C)c1 ZINC000097940841 556811560 /nfs/dbraw/zinc/81/15/60/556811560.db2.gz DNJSWPCJODPMGI-UHFFFAOYSA-N -1 0 428.514 3.577 50 0 IHAARM COc1ccc(NC(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)c(C)c1 ZINC000097941993 556812552 /nfs/dbraw/zinc/81/25/52/556812552.db2.gz OSMXPFAFWYXMJP-UHFFFAOYSA-N -1 0 429.480 3.597 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000019644874 556839425 /nfs/dbraw/zinc/83/94/25/556839425.db2.gz WURXALXXTZRLIS-UHFFFAOYSA-N -1 0 446.550 3.914 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1Cl ZINC000023126512 557008274 /nfs/dbraw/zinc/00/82/74/557008274.db2.gz OYJYMSCVYWPSLS-MSOLQXFVSA-N -1 0 436.859 3.500 50 0 IHAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000010828717 557032074 /nfs/dbraw/zinc/03/20/74/557032074.db2.gz RTMBCDLUAITJCY-UXHICEINSA-N -1 0 428.510 3.507 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1C ZINC000017301881 557050785 /nfs/dbraw/zinc/05/07/85/557050785.db2.gz WZRPTYUOPGQSMW-UHFFFAOYSA-N -1 0 440.477 3.785 50 0 IHAARM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2s1 ZINC000033298910 557074945 /nfs/dbraw/zinc/07/49/45/557074945.db2.gz MPYOKPSMRKMMML-UHFFFAOYSA-N -1 0 446.959 3.553 50 0 IHAARM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000033299065 557075241 /nfs/dbraw/zinc/07/52/41/557075241.db2.gz PKSCNTBRZWSPDP-UHFFFAOYSA-N -1 0 432.495 3.559 50 0 IHAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)NCCC1=CCCCC1 ZINC000010922954 557111015 /nfs/dbraw/zinc/11/10/15/557111015.db2.gz DRPCYKODKNQISG-UHFFFAOYSA-N -1 0 448.566 3.712 50 0 IHAARM O=C(CSCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)NCc1ccco1 ZINC000024073787 557135482 /nfs/dbraw/zinc/13/54/82/557135482.db2.gz MIJGLCVSHMOYCY-UHFFFAOYSA-N -1 0 429.498 3.933 50 0 IHAARM Cc1nn(-c2ccccc2)nc1C(=O)OCCc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000095626622 557159484 /nfs/dbraw/zinc/15/94/84/557159484.db2.gz XZWAYYWGKIXAAF-IBGZPJMESA-N -1 0 437.887 3.815 50 0 IHAARM COc1ccc(N2C(=O)C[C@@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000100068864 557226325 /nfs/dbraw/zinc/22/63/25/557226325.db2.gz BNVLTVXSEJWVLD-HNNXBMFYSA-N -1 0 434.477 3.552 50 0 IHAARM CC(=O)c1ccc(N2C(=O)C[C@@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000100134594 557241886 /nfs/dbraw/zinc/24/18/86/557241886.db2.gz OAJJODLOIRSKKQ-INIZCTEOSA-N -1 0 446.488 3.746 50 0 IHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H](c2cccc(Br)c2)C1 ZINC000101100844 557255323 /nfs/dbraw/zinc/25/53/23/557255323.db2.gz VTPJYCJJACQJFT-QGZVFWFLSA-N -1 0 439.269 3.881 50 0 IHAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101172410 557260201 /nfs/dbraw/zinc/26/02/01/557260201.db2.gz AUCZVAMQLCTTNC-ZWKOTPCHSA-N -1 0 439.834 3.936 50 0 IHAARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=C(NCc1cccc(F)c1)Nc1ccccc1 ZINC000101382504 557281855 /nfs/dbraw/zinc/28/18/55/557281855.db2.gz SOBPFTDTWJIMEV-MRCUWXFGSA-N -1 0 448.429 3.661 50 0 IHAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCc3ccc(F)cc3)Nc3ccccc3)C2=O)cc1 ZINC000101382565 557281932 /nfs/dbraw/zinc/28/19/32/557281932.db2.gz UNYOCNYDDWISNS-DQRAZIAOSA-N -1 0 444.466 3.830 50 0 IHAARM CCOc1ccccc1[C@@H]1CC(c2c([O-])n(C)c(=O)n(C)c2=O)=Nc2ccccc2S1 ZINC000101494859 557288535 /nfs/dbraw/zinc/28/85/35/557288535.db2.gz UYAUDDXFSFBFEF-IBGZPJMESA-N -1 0 437.521 3.546 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)N[C@@H](C)CCc4ccccc4)c3=O)c2c1 ZINC000101497651 557289587 /nfs/dbraw/zinc/28/95/87/557289587.db2.gz RONPANZEFGBDDG-AWEZNQCLSA-N -1 0 436.537 3.686 50 0 IHAARM Cc1oc(-c2ccc(Cl)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102479076 557340202 /nfs/dbraw/zinc/34/02/02/557340202.db2.gz PKPIKZQNILOOGZ-ROUUACIJSA-N -1 0 439.834 3.936 50 0 IHAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000102729647 557370772 /nfs/dbraw/zinc/37/07/72/557370772.db2.gz MURCILWVRZTRIQ-DNVJHFABSA-N -1 0 448.450 3.894 50 0 IHAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C(=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000102760489 557385204 /nfs/dbraw/zinc/38/52/04/557385204.db2.gz OQASDXQACGOCDP-BHIFYINESA-N -1 0 428.444 3.744 50 0 IHAARM O=C(Nc1ccc(I)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100326464 557399556 /nfs/dbraw/zinc/39/95/56/557399556.db2.gz UJLCNKRHOVOMNX-UHFFFAOYSA-N -1 0 446.244 3.510 50 0 IHAARM CCOC(=O)C(=C(O)CSc1nnc(-c2ccc(C)cc2)n1C)c1nc(C)cs1 ZINC000103034697 557416062 /nfs/dbraw/zinc/41/60/62/557416062.db2.gz PGXJPHYXLWICOB-INIZCTEOSA-N -1 0 430.555 3.564 50 0 IHAARM Cc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)c1C ZINC000051316764 557465536 /nfs/dbraw/zinc/46/55/36/557465536.db2.gz ARWAZCQSDUUBKS-UHFFFAOYSA-N -1 0 441.463 3.735 50 0 IHAARM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1cc(Br)ccc1Br ZINC000026543505 557487413 /nfs/dbraw/zinc/48/74/13/557487413.db2.gz XUSSVBFARJLJCN-UHFFFAOYSA-N -1 0 433.121 3.947 50 0 IHAARM C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000229962676 557834550 /nfs/dbraw/zinc/83/45/50/557834550.db2.gz RYNIUVHBZYNNGX-QWRGUYRKSA-N -1 0 448.155 3.725 50 0 IHAARM O=C([O-])CNC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000685944972 557839097 /nfs/dbraw/zinc/83/90/97/557839097.db2.gz LQXWXRBTBZZTCA-UHFFFAOYSA-N -1 0 430.460 3.540 50 0 IHAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)COc1ccc(Br)cc1 ZINC000238142587 557840959 /nfs/dbraw/zinc/84/09/59/557840959.db2.gz CURRPWLNWURGGV-UHFFFAOYSA-N -1 0 428.229 3.610 50 0 IHAARM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000942850 562919753 /nfs/dbraw/zinc/91/97/53/562919753.db2.gz VBPPYNRRQKXVFW-UHFFFAOYSA-N -1 0 440.525 3.592 50 0 IHAARM Cc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002113023 562925864 /nfs/dbraw/zinc/92/58/64/562925864.db2.gz FJNDITZORJKZER-QGZVFWFLSA-N -1 0 443.883 3.563 50 0 biogenic IHAARM Cc1c(C)c2ccc(OCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(C)c2oc1=O ZINC000002115879 562925910 /nfs/dbraw/zinc/92/59/10/562925910.db2.gz DUGCQBOAAOTXDO-UHFFFAOYSA-N -1 0 449.503 3.742 50 0 biogenic IHAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000003269701 562933583 /nfs/dbraw/zinc/93/35/83/562933583.db2.gz HSQBDHJDOYWBQV-UHFFFAOYSA-N -1 0 425.506 3.827 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1 ZINC000009684546 562975531 /nfs/dbraw/zinc/97/55/31/562975531.db2.gz XAHPBZAYERKQJI-UHFFFAOYSA-N -1 0 425.938 3.720 50 0 IHAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c(=O)n12 ZINC000016363228 563020922 /nfs/dbraw/zinc/02/09/22/563020922.db2.gz UPKYCQOCMQKYHV-UHFFFAOYSA-N -1 0 437.852 3.846 50 0 IHAARM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)[O-])c2)CC1 ZINC000085428917 568819977 /nfs/dbraw/zinc/81/99/77/568819977.db2.gz IKOMXLRFTMSPDG-UHFFFAOYSA-N -1 0 436.917 3.711 50 0 IHAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000015781906 568826186 /nfs/dbraw/zinc/82/61/86/568826186.db2.gz ZNZSJDYAVFILGU-KRWDZBQOSA-N -1 0 442.468 3.819 50 0 IHAARM O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(=S)[n-]c3ccccc3c2=O)cc1 ZINC000100955783 568837058 /nfs/dbraw/zinc/83/70/58/568837058.db2.gz VPJBPOPAVJFEFV-UHFFFAOYSA-N -1 0 445.500 3.766 50 0 IHAARM O=S(=O)([N-]c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC000016098757 568870474 /nfs/dbraw/zinc/87/04/74/568870474.db2.gz DQDYODWSZUICHK-UHFFFAOYSA-N -1 0 449.381 3.969 50 0 IHAARM COc1cc(C2(CNS(=O)(=O)c3c(C)noc3C)CCCC2)ccc1OC(F)F ZINC000013004589 568898871 /nfs/dbraw/zinc/89/88/71/568898871.db2.gz QUSXVEITGNEPEG-UHFFFAOYSA-N -1 0 430.473 3.692 50 0 IHAARM C[C@@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253534396 568920158 /nfs/dbraw/zinc/92/01/58/568920158.db2.gz WVULKSPCQVQLCU-GFQHCYGOSA-N -1 0 449.632 3.594 50 0 IHAARM COc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc(OC)c3OC)C2)c1 ZINC000089469735 568926246 /nfs/dbraw/zinc/92/62/46/568926246.db2.gz AYIPHNMHRZNKKQ-LJQANCHMSA-N -1 0 426.469 3.645 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)c(C)s1 ZINC000089582491 568938228 /nfs/dbraw/zinc/93/82/28/568938228.db2.gz DYMFRZIWAMUSBM-NOZJJQNGSA-N -1 0 435.449 3.837 50 0 IHAARM O=C([O-])c1cc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)ccc1O ZINC000054360728 568940458 /nfs/dbraw/zinc/94/04/58/568940458.db2.gz UWTXFUXHANSTGZ-SXGWCWSVSA-N -1 0 446.868 3.809 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862344 568974128 /nfs/dbraw/zinc/97/41/28/568974128.db2.gz DNFZRSDWUGESQE-UHFFFAOYSA-N -1 0 429.542 3.901 50 0 IHAARM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2F)C1 ZINC000036370441 569088593 /nfs/dbraw/zinc/08/85/93/569088593.db2.gz NLKZKYUGBOKYPW-GUYCJALGSA-N -1 0 432.521 3.562 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c(OC)c1 ZINC000065021171 569088782 /nfs/dbraw/zinc/08/87/82/569088782.db2.gz IVQWUQRBAAJSNR-UHFFFAOYSA-N -1 0 430.526 3.539 50 0 IHAARM CCOC(=O)c1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)cc1 ZINC000065150415 569111076 /nfs/dbraw/zinc/11/10/76/569111076.db2.gz YGWMWBDBFWHJOP-NSHDSACASA-N -1 0 426.494 3.849 50 0 IHAARM Cc1ccnc(-n2cc(S(=O)(=O)[N-]c3ccc(-n4cnc5ccccc54)cc3)cn2)c1 ZINC000089701866 569161727 /nfs/dbraw/zinc/16/17/27/569161727.db2.gz QIWIQIVYDCIPNP-UHFFFAOYSA-N -1 0 430.493 3.715 50 0 IHAARM Cc1c(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002104150 569180204 /nfs/dbraw/zinc/18/02/04/569180204.db2.gz ZBHYAQOBUPPMOP-QFIPXVFZSA-N -1 0 437.492 3.605 50 0 biogenic IHAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCCCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000002107091 569181216 /nfs/dbraw/zinc/18/12/16/569181216.db2.gz WJTGLXBJEVWCPV-UHFFFAOYSA-N -1 0 425.481 3.948 50 0 biogenic IHAARM CCc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2c2nc(O)c(CC(=O)[O-])s2)cc1 ZINC000252492353 569187867 /nfs/dbraw/zinc/18/78/67/569187867.db2.gz MJQAFDCFWMUFLY-WOJBJXKFSA-N -1 0 437.521 3.881 50 0 IHAARM C[C@H](C(=O)[O-])N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000170675998 569195398 /nfs/dbraw/zinc/19/53/98/569195398.db2.gz GEHZASCFPIHHKF-CQSZACIVSA-N -1 0 442.313 3.776 50 0 IHAARM COc1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc2c1OCCO2 ZINC000253410723 569265715 /nfs/dbraw/zinc/26/57/15/569265715.db2.gz NQOQQXLDUWDGDG-QGZVFWFLSA-N -1 0 432.428 3.844 50 0 biogenic IHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2ccc(-n3cccn3)nn2)cc1 ZINC000013009984 569306766 /nfs/dbraw/zinc/30/67/66/569306766.db2.gz QOMAFJZPYXSSOK-UHFFFAOYSA-N -1 0 436.497 3.524 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)c3=O)c2c1 ZINC000020330333 569360752 /nfs/dbraw/zinc/36/07/52/569360752.db2.gz CVEHLNSJNFOZHI-DVOMOZLQSA-N -1 0 428.558 3.880 50 0 IHAARM C[C@@H](NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)C(=O)[O-] ZINC000080350425 569363260 /nfs/dbraw/zinc/36/32/60/569363260.db2.gz FFBFBSYSVPRTOI-CQSZACIVSA-N -1 0 425.916 3.914 50 0 IHAARM Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000095424435 569365916 /nfs/dbraw/zinc/36/59/16/569365916.db2.gz OBWSIXCTWRJDRU-CQSZACIVSA-N -1 0 430.249 3.532 50 0 IHAARM O=C([O-])c1cc(N2CCSCC2)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000095958211 569376965 /nfs/dbraw/zinc/37/69/65/569376965.db2.gz XEIIYBALQVQRAC-UHFFFAOYSA-N -1 0 430.551 3.667 50 0 IHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)n(-c3nccs3)c2C)c(OC)c1 ZINC000095989803 569378154 /nfs/dbraw/zinc/37/81/54/569378154.db2.gz CEQADJLKSFJFKX-KRWDZBQOSA-N -1 0 429.498 3.514 50 0 IHAARM COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)c1 ZINC000096809894 569402502 /nfs/dbraw/zinc/40/25/02/569402502.db2.gz FCCYRMKMOAQZQP-NRFANRHFSA-N -1 0 449.580 3.721 50 0 IHAARM CCOCCCn1c(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2[n-]c1=S ZINC000002972214 569433454 /nfs/dbraw/zinc/43/34/54/569433454.db2.gz HCXUJAIKIIDZHH-UHFFFAOYSA-N -1 0 431.945 3.695 50 0 IHAARM COc1c(Cl)cccc1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)C1=C([O-])c1cccs1 ZINC000057531307 569439477 /nfs/dbraw/zinc/43/94/77/569439477.db2.gz JUKGMNYYUYWCGB-MKBNYLNASA-N -1 0 434.823 3.514 50 0 IHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000003287610 569444192 /nfs/dbraw/zinc/44/41/92/569444192.db2.gz FADBUXJEQLJRJG-UHFFFAOYSA-N -1 0 440.477 3.867 50 0 IHAARM COc1ccccc1-n1c(SCc2nc(=O)c3sccc3[n-]2)nc2ccccc2c1=O ZINC000003458619 569451808 /nfs/dbraw/zinc/45/18/08/569451808.db2.gz KSBRQQKIFASBMX-UHFFFAOYSA-N -1 0 448.529 3.985 50 0 IHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCCC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008695487 569470177 /nfs/dbraw/zinc/47/01/77/569470177.db2.gz BTTCODLPLQKRFY-HYBUGGRVSA-N -1 0 433.464 3.830 50 0 IHAARM O=C1[N-]C(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008695455 569470210 /nfs/dbraw/zinc/47/02/10/569470210.db2.gz ZPPJXXSXZFDYCE-UTKZUKDTSA-N -1 0 445.397 3.576 50 0 IHAARM CCCC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3)C(=O)[O-] ZINC000008765111 569474658 /nfs/dbraw/zinc/47/46/58/569474658.db2.gz ODDQNGJUGWYGSP-MRXNPFEDSA-N -1 0 445.512 3.516 50 0 biogenic IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C ZINC000008837268 569478163 /nfs/dbraw/zinc/47/81/63/569478163.db2.gz WVULKSPCQVQLCU-FHGSCGBJSA-N -1 0 449.632 3.594 50 0 IHAARM CCN1c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2OCC(C)(C)C1=O ZINC000009166527 569508952 /nfs/dbraw/zinc/50/89/52/569508952.db2.gz JYDIEKOBNAPRLJ-UHFFFAOYSA-N -1 0 438.933 3.921 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2OCCC(C)C)cc1 ZINC000009409602 569531047 /nfs/dbraw/zinc/53/10/47/569531047.db2.gz BQRITVNAZBVRMW-UHFFFAOYSA-N -1 0 428.514 3.814 50 0 IHAARM C[C@H](NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)C(=O)[O-] ZINC000009423709 569533027 /nfs/dbraw/zinc/53/30/27/569533027.db2.gz FFBFBSYSVPRTOI-AWEZNQCLSA-N -1 0 425.916 3.914 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009442256 569535475 /nfs/dbraw/zinc/53/54/75/569535475.db2.gz WWHBRIJHWAVDAX-UHFFFAOYSA-N -1 0 440.477 3.520 50 0 IHAARM CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c([O-])c4ccccc4oc3=O)cc2c1C ZINC000009560721 569547088 /nfs/dbraw/zinc/54/70/88/569547088.db2.gz YSOILLWULDXCAK-UHFFFAOYSA-N -1 0 443.433 3.531 50 0 IHAARM O=C(CSc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1)OCc1ccccc1 ZINC000070635142 569548659 /nfs/dbraw/zinc/54/86/59/569548659.db2.gz LFTYOOVFULACJE-UHFFFAOYSA-N -1 0 442.478 3.874 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(CC)c3)c2)on1 ZINC000009637778 569554869 /nfs/dbraw/zinc/55/48/69/569554869.db2.gz MHYNIAOJQYODLJ-UHFFFAOYSA-N -1 0 430.482 3.890 50 0 IHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000009646451 569556272 /nfs/dbraw/zinc/55/62/72/569556272.db2.gz CSHGQNKVIUTVNU-UHFFFAOYSA-N -1 0 425.459 3.645 50 0 IHAARM O=C(NCc1ccccn1)c1cc(C(=O)c2cc(F)ccc2[O-])cn2c3ccccc3nc12 ZINC000009670061 569558202 /nfs/dbraw/zinc/55/82/02/569558202.db2.gz JQNDLZAMWJZLJI-UHFFFAOYSA-N -1 0 440.434 3.888 50 0 IHAARM Cc1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c(C(N)=O)c1C ZINC000009714690 569562876 /nfs/dbraw/zinc/56/28/76/569562876.db2.gz VHJDOTUNKLJVPD-UHFFFAOYSA-N -1 0 443.550 3.825 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)ccc1F ZINC000009896656 569573023 /nfs/dbraw/zinc/57/30/23/569573023.db2.gz FKXQSUUPADBNLK-UHFFFAOYSA-N -1 0 446.525 3.895 50 0 IHAARM Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000006088857 193878532 /nfs/dbraw/zinc/87/85/32/193878532.db2.gz ISGRWLUFUIHWOT-HNNXBMFYSA-N -1 0 431.539 3.967 50 0 IHAARM Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)c1 ZINC000000627343 132227922 /nfs/dbraw/zinc/22/79/22/132227922.db2.gz FSIWPSKBRWDXLX-SFTDATJTSA-N -1 0 449.551 3.787 50 0 IHAARM CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)[O-] ZINC000014632653 518808961 /nfs/dbraw/zinc/80/89/61/518808961.db2.gz IHRMIKPTDYFJCL-FQEVSTJZSA-N -1 0 438.480 3.899 50 0 IHAARM CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCC(=O)[O-])cc1 ZINC000012381661 519013510 /nfs/dbraw/zinc/01/35/10/519013510.db2.gz SRKBKMAHYZDZDK-RGEXLXHISA-N -1 0 428.916 3.999 50 0 IHAARM CC(=O)Nc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012786976 519717540 /nfs/dbraw/zinc/71/75/40/519717540.db2.gz VCHQOJQWLKPJFV-UHFFFAOYSA-N -1 0 441.484 3.515 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000035377930 519750350 /nfs/dbraw/zinc/75/03/50/519750350.db2.gz BIGDQPJYKNTGHW-UHFFFAOYSA-N -1 0 429.889 3.587 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000035378031 521228029 /nfs/dbraw/zinc/22/80/29/521228029.db2.gz UDKFIMNYRQGRJM-UHFFFAOYSA-N -1 0 443.916 3.977 50 0 IHAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000035397238 521376476 /nfs/dbraw/zinc/37/64/76/521376476.db2.gz KWAGUVKWUAFCHN-UHFFFAOYSA-N -1 0 425.510 3.916 50 0 IHAARM CCN1CCc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)sc2C1 ZINC000021296634 521725253 /nfs/dbraw/zinc/72/52/53/521725253.db2.gz SKCXPPPSJBKJEQ-UHFFFAOYSA-N -1 0 448.595 3.636 50 0 IHAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCC(O)CC3)c([O-])n2n1 ZINC000012341977 522535030 /nfs/dbraw/zinc/53/50/30/522535030.db2.gz IVWNHOCAJKSDJG-OAHLLOKOSA-N -1 0 427.357 3.912 50 0 IHAARM CC[C@@H](Sc1[n-]c2ccccc2c(=O)c1C(=O)OC)C(=O)Nc1cccc(OC)c1 ZINC000021888237 523080229 /nfs/dbraw/zinc/08/02/29/523080229.db2.gz GLKYDNWHRSTGND-QGZVFWFLSA-N -1 0 426.494 3.833 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cc(C)ccc3C)c2)cc1OC ZINC000021931843 525090507 /nfs/dbraw/zinc/09/05/07/525090507.db2.gz JQTYPZJTBQNESB-UHFFFAOYSA-N -1 0 441.509 3.769 50 0 IHAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(C)n1C ZINC000020989787 525573287 /nfs/dbraw/zinc/57/32/87/525573287.db2.gz IVSURIMVCUCHEC-UHFFFAOYSA-N -1 0 429.464 3.698 50 0 IHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000035477275 526556705 /nfs/dbraw/zinc/55/67/05/526556705.db2.gz HZRJTPNLMODBLZ-UHFFFAOYSA-N -1 0 428.518 3.534 50 0 IHAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157420 527206468 /nfs/dbraw/zinc/20/64/68/527206468.db2.gz SSRGMERJEAVAMZ-IBGZPJMESA-N -1 0 441.507 3.995 50 0 IHAARM Cc1nc2sc([C@@H](c3cccs3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022876446 527207163 /nfs/dbraw/zinc/20/71/63/527207163.db2.gz KSTAJLUNRIKFHD-GOSISDBHSA-N -1 0 425.583 3.774 50 0 IHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)c(F)c1F ZINC000012604679 527253931 /nfs/dbraw/zinc/25/39/31/527253931.db2.gz XNHDWAHKPNHDPX-UHFFFAOYSA-N -1 0 442.440 3.706 50 0 IHAARM Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(C(=O)[O-])cc1 ZINC000002320607 527426067 /nfs/dbraw/zinc/42/60/67/527426067.db2.gz PKRLUZURZMQMDR-UHFFFAOYSA-N -1 0 429.480 3.917 50 0 IHAARM Cc1ccc(N2C(=O)c3ccc(S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)cc1C ZINC000000822790 555564569 /nfs/dbraw/zinc/56/45/69/555564569.db2.gz QPVZIAPXBBLVCQ-UHFFFAOYSA-N -1 0 435.457 3.635 50 0 IHAARM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000892616 555579935 /nfs/dbraw/zinc/57/99/35/555579935.db2.gz JHDZCDKFFOGBQI-UHFFFAOYSA-N -1 0 432.889 3.500 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3csc4c3CCCC4)cc2)n1 ZINC000001054547 555614241 /nfs/dbraw/zinc/61/42/41/555614241.db2.gz OHTUYLJRKOBSAP-UHFFFAOYSA-N -1 0 428.539 3.778 50 0 IHAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1 ZINC000001153006 555657531 /nfs/dbraw/zinc/65/75/31/555657531.db2.gz RNSXZEOQYLDDOJ-UHFFFAOYSA-N -1 0 432.527 3.552 50 0 IHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000001220964 555685952 /nfs/dbraw/zinc/68/59/52/555685952.db2.gz ZUUITSHWOUYTIC-YRSZXAOTSA-N -1 0 429.859 3.975 50 0 IHAARM CCOC(=O)c1cc(CC)sc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000001795219 555716281 /nfs/dbraw/zinc/71/62/81/555716281.db2.gz CRRJBMRWQSJCDD-HNNXBMFYSA-N -1 0 433.507 3.610 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1cccs1 ZINC000002394512 555775483 /nfs/dbraw/zinc/77/54/83/555775483.db2.gz QPSHLZWUJGSDAG-UHFFFAOYSA-N -1 0 426.479 3.964 50 0 IHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002646182 555791195 /nfs/dbraw/zinc/79/11/95/555791195.db2.gz YOZOZANENKPWEP-INIZCTEOSA-N -1 0 446.834 3.814 50 0 in-vitro IHAARM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1Cl ZINC000004647220 556004949 /nfs/dbraw/zinc/00/49/49/556004949.db2.gz XSRRUDOHQNNLBG-AWEZNQCLSA-N -1 0 446.916 3.645 50 0 IHAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)c1 ZINC000006088821 556075865 /nfs/dbraw/zinc/07/58/65/556075865.db2.gz MAITWPWQVSHLLY-UHFFFAOYSA-N -1 0 437.568 3.670 50 0 IHAARM CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000006491936 556091366 /nfs/dbraw/zinc/09/13/66/556091366.db2.gz JOFRUBMSFYQXGO-WOJGMQOQSA-N -1 0 441.461 3.563 50 0 IHAARM CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000006624422 556098885 /nfs/dbraw/zinc/09/88/85/556098885.db2.gz LBFDNUQRUTVLLN-KBJGYGKASA-N -1 0 426.513 3.860 50 0 biogenic IHAARM CCCn1c(=O)c2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2[n-]c1=S ZINC000003043926 556166779 /nfs/dbraw/zinc/16/67/79/556166779.db2.gz XILWGNUWTPJYDS-UHFFFAOYSA-N -1 0 429.498 3.747 50 0 IHAARM CCOc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000008636585 556194378 /nfs/dbraw/zinc/19/43/78/556194378.db2.gz UQDBUPJMFRFYOR-UHFFFAOYSA-N -1 0 441.513 3.937 50 0 IHAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000009260719 556268367 /nfs/dbraw/zinc/26/83/67/556268367.db2.gz FVXWKDUHBXHBLS-CQSZACIVSA-N -1 0 426.498 3.867 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)Nc4nccs4)cc3s2)cc1 ZINC000013688389 556278007 /nfs/dbraw/zinc/27/80/07/556278007.db2.gz BVPGNFYZASQVOE-UHFFFAOYSA-N -1 0 446.535 3.815 50 0 IHAARM Cc1ccc(-n2c(=O)c(Cc3ccccc3)c([O-])nc2SCC(=O)N2CCCCC2)cc1 ZINC000013765843 556302819 /nfs/dbraw/zinc/30/28/19/556302819.db2.gz DAVNJQNRECXWKP-UHFFFAOYSA-N -1 0 449.576 3.942 50 0 IHAARM COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000009720804 556307518 /nfs/dbraw/zinc/30/75/18/556307518.db2.gz ZYNRLZXEXVKEHC-FHXOWUIVSA-N -1 0 441.461 3.562 50 0 IHAARM CCc1c([O-])nc(SCC(=O)Nc2nc3c(s2)CCCC3)n(-c2ccccc2)c1=O ZINC000010034992 556322690 /nfs/dbraw/zinc/32/26/90/556322690.db2.gz YVPUPIVMISLRHP-UHFFFAOYSA-N -1 0 442.566 3.567 50 0 IHAARM CC[C@@H](SC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000010076987 556325042 /nfs/dbraw/zinc/32/50/42/556325042.db2.gz PBWNWVMNPXJGQL-LJQANCHMSA-N -1 0 437.521 3.778 50 0 IHAARM O=C(NCC(F)(F)F)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000014870304 556452194 /nfs/dbraw/zinc/45/21/94/556452194.db2.gz OXPKFPNDPRLVJT-UHFFFAOYSA-N -1 0 426.338 3.798 50 0 IHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000030517397 556496307 /nfs/dbraw/zinc/49/63/07/556496307.db2.gz QJFRDXQYNANDED-CQSZACIVSA-N -1 0 432.489 3.892 50 0 IHAARM Cc1nn(-c2ccccc2)nc1C(=O)OCCc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000013464029 556506553 /nfs/dbraw/zinc/50/65/53/556506553.db2.gz XZWAYYWGKIXAAF-LJQANCHMSA-N -1 0 437.887 3.815 50 0 IHAARM O=C(Nc1ccc(N2CCOCC2)cc1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000032719894 556538555 /nfs/dbraw/zinc/53/85/55/556538555.db2.gz SGDODRLPCGSLLR-UHFFFAOYSA-N -1 0 432.402 3.686 50 0 IHAARM Cc1c([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000016652244 556620992 /nfs/dbraw/zinc/62/09/92/556620992.db2.gz IUOUEXJDVDBLST-UHFFFAOYSA-N -1 0 426.325 3.733 50 0 IHAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2cccc(C)c2)C1 ZINC000017097012 556661025 /nfs/dbraw/zinc/66/10/25/556661025.db2.gz RLORXDREZNPTOZ-CQSZACIVSA-N -1 0 430.526 3.863 50 0 IHAARM O=C(COc1ccc2cc(-c3ccccc3)c(=O)oc2c1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238950410 556682222 /nfs/dbraw/zinc/68/22/22/556682222.db2.gz XYKMEDUGXHOUKH-SAABIXHNSA-N -1 0 435.476 3.846 50 0 IHAARM COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000058061273 556756197 /nfs/dbraw/zinc/75/61/97/556756197.db2.gz GUWYJBHFDHBSGO-SNAWJCMRSA-N -1 0 446.308 3.998 50 0 IHAARM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)N2CCSCC2)cc1C ZINC000058308486 556779560 /nfs/dbraw/zinc/77/95/60/556779560.db2.gz NILFCXOCCMUFJC-UHFFFAOYSA-N -1 0 434.583 3.610 50 0 IHAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccccc2C(F)(F)F)cc1 ZINC000058404686 556785575 /nfs/dbraw/zinc/78/55/75/556785575.db2.gz VMTWBXVAVGFKEX-UHFFFAOYSA-N -1 0 439.415 3.787 50 0 IHAARM COc1cccc(C(=O)N2CCc3c(nc4cc(-c5ccccc5Cl)[n-]n4c3=O)C2)c1 ZINC000097941997 556812701 /nfs/dbraw/zinc/81/27/01/556812701.db2.gz BASRAGHFHQWWHN-UHFFFAOYSA-N -1 0 434.883 3.550 50 0 IHAARM COc1cccc(NC(=O)N2CCc3c(nc4cc(-c5ccccc5Cl)[n-]n4c3=O)C2)c1 ZINC000097942006 556812813 /nfs/dbraw/zinc/81/28/13/556812813.db2.gz WKUCVEKSJUVLLQ-UHFFFAOYSA-N -1 0 449.898 3.942 50 0 IHAARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000019633824 556833773 /nfs/dbraw/zinc/83/37/73/556833773.db2.gz XOGIXLAIGDWITO-HOTGVXAUSA-N -1 0 441.505 3.914 50 0 IHAARM O=C([N-]n1c(=O)[nH]c2ccccc2c1=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000019644222 556838959 /nfs/dbraw/zinc/83/89/59/556838959.db2.gz FQZUZZYPQXVKFX-UHFFFAOYSA-N -1 0 446.246 3.553 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000019644877 556839399 /nfs/dbraw/zinc/83/93/99/556839399.db2.gz HQAHSUWSYCDQCH-UHFFFAOYSA-N -1 0 446.550 3.914 50 0 IHAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000033170697 556886305 /nfs/dbraw/zinc/88/63/05/556886305.db2.gz UEJTWWOSZBKVNQ-BENRWUELSA-N -1 0 427.482 3.921 50 0 IHAARM O=C([O-])/C(=C/c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000096792190 556973705 /nfs/dbraw/zinc/97/37/05/556973705.db2.gz VAXNNFKSXCNTLT-SDNWHVSQSA-N -1 0 442.356 3.920 50 0 IHAARM O=C([O-])c1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)ccn1 ZINC000400064130 557017277 /nfs/dbraw/zinc/01/72/77/557017277.db2.gz JWSAJANUDXOAIW-UHFFFAOYSA-N -1 0 429.476 3.851 50 0 IHAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000017207245 557038494 /nfs/dbraw/zinc/03/84/94/557038494.db2.gz FGWNMWIAKGLFFK-FQEVSTJZSA-N -1 0 428.286 3.860 50 0 IHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)N(Cc1ccncc1)C1CC1 ZINC000048287656 557053272 /nfs/dbraw/zinc/05/32/72/557053272.db2.gz VMABLHDBLZIWJB-UHFFFAOYSA-N -1 0 427.551 3.678 50 0 IHAARM C[C@H]1c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)cc3c2N(CCC3)C1=O ZINC000101061602 557218970 /nfs/dbraw/zinc/21/89/70/557218970.db2.gz UGUMGOPMJPXLDN-JTQLQIEISA-N -1 0 439.306 3.785 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4C)c=3c2=O)cc1Cl ZINC000100036787 557238533 /nfs/dbraw/zinc/23/85/33/557238533.db2.gz RMWSXCFYCONVBX-QZTJIDSGSA-N -1 0 446.294 3.542 50 0 IHAARM CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(CCC)c1=O ZINC000100551421 557264213 /nfs/dbraw/zinc/26/42/13/557264213.db2.gz HYOBHSBQCAPBCA-UHFFFAOYSA-N -1 0 446.507 3.554 50 0 IHAARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=C(NCc2ccc(F)cc2)Nc2ccccc2)C1=O ZINC000101382530 557281900 /nfs/dbraw/zinc/28/19/00/557281900.db2.gz IQDYMULOZKMRKL-DQRAZIAOSA-N -1 0 444.466 3.830 50 0 IHAARM NC(=O)CCOc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000328596269 557345694 /nfs/dbraw/zinc/34/56/94/557345694.db2.gz ZRNVNLTVZABKAR-UHFFFAOYSA-N -1 0 434.699 3.602 50 0 IHAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(-c4cccc(Br)c4)nn32)cc1 ZINC000102859867 557399769 /nfs/dbraw/zinc/39/97/69/557399769.db2.gz QUMHCJMLFFZWTH-MRXNPFEDSA-N -1 0 427.258 3.700 50 0 IHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NCc1ccc(Cl)cc1)c2=O ZINC000012416138 557835552 /nfs/dbraw/zinc/83/55/52/557835552.db2.gz ANCNSIKEJZCNPU-UHFFFAOYSA-N -1 0 445.928 3.596 50 0 IHAARM O=C([O-])c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000001061695 562920181 /nfs/dbraw/zinc/92/01/81/562920181.db2.gz HUVHEVNCIMLRMZ-UHFFFAOYSA-N -1 0 436.917 3.855 50 0 IHAARM COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)s2)c1 ZINC000002230901 562926518 /nfs/dbraw/zinc/92/65/18/562926518.db2.gz FMDDCVFNRXGSTR-UHFFFAOYSA-N -1 0 431.495 3.651 50 0 IHAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC ZINC000003010378 562931684 /nfs/dbraw/zinc/93/16/84/562931684.db2.gz WSJRHINQHDBEEH-UHFFFAOYSA-N -1 0 445.541 3.936 50 0 IHAARM CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OCc3nnn[n-]3)cc21 ZINC000106090088 568624752 /nfs/dbraw/zinc/62/47/52/568624752.db2.gz BUAIFCGSBNDWLX-UHFFFAOYSA-N -1 0 426.274 3.996 50 0 IHAARM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(OC(F)(F)Cl)cc3)cc2o1 ZINC000001068243 568656555 /nfs/dbraw/zinc/65/65/55/568656555.db2.gz FVXXFQPDGPGXCO-UHFFFAOYSA-N -1 0 425.196 3.743 50 0 biogenic IHAARM CC(=O)O[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C ZINC000257350081 568731316 /nfs/dbraw/zinc/73/13/16/568731316.db2.gz UQDCTELYBPUWFG-DCZHMHQQSA-N -1 0 448.556 3.772 50 0 IHAARM COc1ccccc1CNC(C)=C1C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000001407358 568787034 /nfs/dbraw/zinc/78/70/34/568787034.db2.gz XVHQPBXHDHOFOI-GZTJUZNOSA-N -1 0 434.279 3.649 50 0 IHAARM CC(NCc1ccc(C(F)(F)F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000001407444 568787384 /nfs/dbraw/zinc/78/73/84/568787384.db2.gz NRTPNVQCPHBBAK-NBVRZTHBSA-N -1 0 431.414 3.969 50 0 IHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)cc1Cl ZINC000015720742 568811684 /nfs/dbraw/zinc/81/16/84/568811684.db2.gz HAZXAZXNGZCFFY-UHFFFAOYSA-N -1 0 447.925 3.702 50 0 IHAARM COc1ccccc1CNC(=O)CC1(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCC1 ZINC000015826970 568840892 /nfs/dbraw/zinc/84/08/92/568840892.db2.gz XFKBTUODLNJNEM-UHFFFAOYSA-N -1 0 441.553 3.674 50 0 IHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000015882153 568856637 /nfs/dbraw/zinc/85/66/37/568856637.db2.gz AUMRNQFWCWJDDS-UHFFFAOYSA-N -1 0 428.489 3.692 50 0 IHAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1)c1cccs1 ZINC000090607354 568890132 /nfs/dbraw/zinc/89/01/32/568890132.db2.gz QFKDJVFQNZMKBW-ZDUSSCGKSA-N -1 0 428.432 3.556 50 0 IHAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000245240467 568913321 /nfs/dbraw/zinc/91/33/21/568913321.db2.gz VARXRXVMXBPTGE-HBMCJLEFSA-N -1 0 432.407 3.575 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000064774697 568954172 /nfs/dbraw/zinc/95/41/72/568954172.db2.gz KWWJYCQFEWARJD-LLVKDONJSA-N -1 0 443.916 3.975 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cc(F)cc(F)c2)[n-]c1=O ZINC000064774904 568954222 /nfs/dbraw/zinc/95/42/22/568954222.db2.gz ULWUYDUDUBSJCU-UHFFFAOYSA-N -1 0 445.451 3.520 50 0 IHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cccc(C)c2)[n-]c1=O ZINC000064774476 568954361 /nfs/dbraw/zinc/95/43/61/568954361.db2.gz MLLLVKDJCDASIC-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000064774464 568954381 /nfs/dbraw/zinc/95/43/81/568954381.db2.gz HOZCXMGTWYSPOM-UHFFFAOYSA-N -1 0 441.488 3.689 50 0 IHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000064774478 568954384 /nfs/dbraw/zinc/95/43/84/568954384.db2.gz HBOGUHXFRRAPHB-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM O=c1cc(COc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)nc2sccn21 ZINC000064976696 569077174 /nfs/dbraw/zinc/07/71/74/569077174.db2.gz ZOAICKRCXJTSSG-UHFFFAOYSA-N -1 0 447.925 3.789 50 0 IHAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)C(=O)Nc3ccc(F)cc32)cc1 ZINC000036359517 569085794 /nfs/dbraw/zinc/08/57/94/569085794.db2.gz HJUKMQBCMHQPFT-QFIPXVFZSA-N -1 0 438.436 3.841 50 0 IHAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)C1 ZINC000036360456 569086392 /nfs/dbraw/zinc/08/63/92/569086392.db2.gz MZXHLOZBLINGGU-QHRIQVFBSA-N -1 0 437.334 3.982 50 0 IHAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(c3nc4ccccc4o3)CC2)c2ccccc21 ZINC000036365508 569086841 /nfs/dbraw/zinc/08/68/41/569086841.db2.gz FERGWYADQVTCRH-QFIPXVFZSA-N -1 0 433.464 3.872 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000065116237 569107142 /nfs/dbraw/zinc/10/71/42/569107142.db2.gz XNZVCTSWZMQKGQ-UHFFFAOYSA-N -1 0 445.497 3.680 50 0 IHAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000065112615 569108139 /nfs/dbraw/zinc/10/81/39/569108139.db2.gz PFFYFHFGDHXBAA-UHFFFAOYSA-N -1 0 432.571 3.659 50 0 IHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2C)o1 ZINC000065194054 569114710 /nfs/dbraw/zinc/11/47/10/569114710.db2.gz AZTOPPIDJMUKDG-UHFFFAOYSA-N -1 0 439.335 3.872 50 0 IHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)NCc2cccc(C(F)(F)F)c2)c3[O-])c1 ZINC000065249927 569122037 /nfs/dbraw/zinc/12/20/37/569122037.db2.gz DLVUPVVXLMWEAN-UHFFFAOYSA-N -1 0 442.397 3.677 50 0 IHAARM COc1cccc(NC(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)c1 ZINC000065260911 569124263 /nfs/dbraw/zinc/12/42/63/569124263.db2.gz SCAHTGRTIZPUNN-UHFFFAOYSA-N -1 0 449.898 3.942 50 0 IHAARM COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)[O-])ccc2OC)c1 ZINC000013575824 569155742 /nfs/dbraw/zinc/15/57/42/569155742.db2.gz WJBZNIGPJHGXGN-STZFKDTASA-N -1 0 446.459 3.812 50 0 IHAARM COc1ccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccccc3)n2)c(OC)c1 ZINC000016848348 569164293 /nfs/dbraw/zinc/16/42/93/569164293.db2.gz KSHBYPIFTCHTMA-UHFFFAOYSA-N -1 0 447.538 3.532 50 0 IHAARM COc1cccc(-n2c3nc(SCC(=O)N4CCCCC4)[n-]c(=O)c3sc2=S)c1 ZINC000016960688 569168225 /nfs/dbraw/zinc/16/82/25/569168225.db2.gz GXRBKVCUWDOUSZ-UHFFFAOYSA-N -1 0 448.595 3.618 50 0 IHAARM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(CC)s3)ccc21 ZINC000017287025 569177074 /nfs/dbraw/zinc/17/70/74/569177074.db2.gz WVWIHCHUAVMGNZ-UHFFFAOYSA-N -1 0 428.601 3.604 50 0 IHAARM CCCC[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)[O-] ZINC000002093080 569178912 /nfs/dbraw/zinc/17/89/12/569178912.db2.gz HRLSIGDRKSFEKK-NRFANRHFSA-N -1 0 437.492 3.831 50 0 biogenic IHAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002096815 569179320 /nfs/dbraw/zinc/17/93/20/569179320.db2.gz ZBVLNKRDDHZZNS-GOSISDBHSA-N -1 0 425.481 3.947 50 0 biogenic IHAARM Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCC(=O)[O-])ccc21 ZINC000002100044 569179575 /nfs/dbraw/zinc/17/95/75/569179575.db2.gz JSXDTHWYXDPRBC-PGMHBOJBSA-N -1 0 441.487 3.693 50 0 biogenic IHAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N4CCC(C(=O)[O-])CC4)c(=O)oc12)CCCC3 ZINC000002152335 569187396 /nfs/dbraw/zinc/18/73/96/569187396.db2.gz DETDCEPNJOGBLC-UHFFFAOYSA-N -1 0 437.492 3.901 50 0 biogenic IHAARM COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2c(F)cccc2F)c1 ZINC000027527623 569263363 /nfs/dbraw/zinc/26/33/63/569263363.db2.gz VDJUGVHQWGMYMU-UHFFFAOYSA-N -1 0 437.402 3.743 50 0 IHAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000253426673 569267395 /nfs/dbraw/zinc/26/73/95/569267395.db2.gz LYEPOMRBQZETMM-LJQANCHMSA-N -1 0 436.512 3.702 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000002380712 569291828 /nfs/dbraw/zinc/29/18/28/569291828.db2.gz YMMJRKCAGXVGCG-UHFFFAOYSA-N -1 0 436.415 3.857 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N(C)Cc4ccccc4)c3=O)c2c1 ZINC000020330617 569360695 /nfs/dbraw/zinc/36/06/95/569360695.db2.gz ZWPKZGYGBULBJM-UHFFFAOYSA-N -1 0 436.537 3.988 50 0 IHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000080357383 569363280 /nfs/dbraw/zinc/36/32/80/569363280.db2.gz IPPNVVGAKMDXLP-QGZVFWFLSA-N -1 0 445.338 3.927 50 0 IHAARM C[C@@H](CN(Cc1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1)C(=O)[O-] ZINC000095463861 569370394 /nfs/dbraw/zinc/37/03/94/569370394.db2.gz XEWXYTKTAIHZLS-HNNXBMFYSA-N -1 0 442.313 3.998 50 0 IHAARM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)cc1 ZINC000095466368 569370892 /nfs/dbraw/zinc/37/08/92/569370892.db2.gz XCFZUWFYEMMCEQ-UHFFFAOYSA-N -1 0 436.599 3.643 50 0 IHAARM CN1C(=O)C[C@@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])[C@H]1c1ccccc1 ZINC000096003277 569379057 /nfs/dbraw/zinc/37/90/57/569379057.db2.gz FCEAZKIXXZXBOX-YVEFUNNKSA-N -1 0 437.721 3.758 50 0 IHAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 ZINC000096025645 569380751 /nfs/dbraw/zinc/38/07/51/569380751.db2.gz ITBXUNVSNUYUDN-UHFFFAOYSA-N -1 0 448.589 3.635 50 0 IHAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000096319802 569393956 /nfs/dbraw/zinc/39/39/56/569393956.db2.gz JLZNOXSVPIHHGH-RBUKOAKNSA-N -1 0 443.866 3.534 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(SC)c2)cc1 ZINC000096361172 569397583 /nfs/dbraw/zinc/39/75/83/569397583.db2.gz ZMPFSPJYDQJPBM-UHFFFAOYSA-N -1 0 432.527 3.583 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(SC)cc2)cc1 ZINC000096361178 569397604 /nfs/dbraw/zinc/39/76/04/569397604.db2.gz WQOPEPNROOTBOV-UHFFFAOYSA-N -1 0 432.527 3.583 50 0 IHAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000096579876 569401555 /nfs/dbraw/zinc/40/15/55/569401555.db2.gz ONDBGCVGHBYFBQ-UHFFFAOYSA-N -1 0 436.489 3.697 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cnn(COc3ccc(F)cc3Cl)c2)c1 ZINC000028305438 569409804 /nfs/dbraw/zinc/40/98/04/569409804.db2.gz WMDKVALKXSJUHF-UHFFFAOYSA-N -1 0 441.868 3.530 50 0 IHAARM O=C(NCc1ccco1)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1 ZINC000003043893 569438537 /nfs/dbraw/zinc/43/85/37/569438537.db2.gz BGBZWEUGRNHMMZ-UHFFFAOYSA-N -1 0 425.897 3.910 50 0 IHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N(CCO)Cc1ccccc1 ZINC000003215881 569441775 /nfs/dbraw/zinc/44/17/75/569441775.db2.gz PXHWQSSDSYCPCB-UHFFFAOYSA-N -1 0 442.512 3.570 50 0 IHAARM O=C([O-])C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000008867269 569480250 /nfs/dbraw/zinc/48/02/50/569480250.db2.gz XLCBOTQHSAUUQI-LJQANCHMSA-N -1 0 442.899 3.829 50 0 IHAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc(OC)c1OC ZINC000040266565 569497236 /nfs/dbraw/zinc/49/72/36/569497236.db2.gz KDZYBKMHIKSLQI-HNNXBMFYSA-N -1 0 440.427 3.815 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n([C@@H](C)c2ccccc2)c1=O ZINC000009042220 569497758 /nfs/dbraw/zinc/49/77/58/569497758.db2.gz OAWQTLWJWDGFMD-NYHFZMIOSA-N -1 0 430.508 3.713 50 0 biogenic IHAARM CCc1cccc(CC)c1-n1c(=O)cc([O-])nc1SCC(=O)N1CCc2ccccc21 ZINC000009129124 569505604 /nfs/dbraw/zinc/50/56/04/569505604.db2.gz IQGIUBSYZSXKFI-UHFFFAOYSA-N -1 0 435.549 3.744 50 0 IHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CC ZINC000009166416 569508840 /nfs/dbraw/zinc/50/88/40/569508840.db2.gz LNDYAXWWQRDPLF-UHFFFAOYSA-N -1 0 432.542 3.966 50 0 IHAARM CCCN1c2cc([N-]S(=O)(=O)c3ccc(OC)cc3OC)ccc2OCC(C)(C)C1=O ZINC000009172008 569509484 /nfs/dbraw/zinc/50/94/84/569509484.db2.gz WNJUMGBABVBRRV-UHFFFAOYSA-N -1 0 448.541 3.666 50 0 IHAARM O=C([O-])c1cc(O)ccc1NC(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000009215991 569512104 /nfs/dbraw/zinc/51/21/04/569512104.db2.gz KTGZULQYJBUFGI-DFBITEFZSA-N -1 0 438.461 3.712 50 0 IHAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000009282975 569518785 /nfs/dbraw/zinc/51/87/85/569518785.db2.gz XOAAUARHGMBAAN-GOTSBHOMSA-N -1 0 431.444 3.989 50 0 IHAARM CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC(=O)[O-] ZINC000009635138 569554623 /nfs/dbraw/zinc/55/46/23/569554623.db2.gz BEALUNKZKCKXNC-GFCCVEGCSA-N -1 0 448.936 3.580 50 0 IHAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000009675435 569559263 /nfs/dbraw/zinc/55/92/63/569559263.db2.gz JLZNOXSVPIHHGH-MOPGFXCFSA-N -1 0 443.866 3.534 50 0 IHAARM CCOc1ccccc1NC(=O)CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1 ZINC000009761984 569566358 /nfs/dbraw/zinc/56/63/58/569566358.db2.gz ZYFHOORTWPIXDX-UHFFFAOYSA-N -1 0 425.919 3.581 50 0 IHAARM COc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828525 569569783 /nfs/dbraw/zinc/56/97/83/569569783.db2.gz XHNFSANDEXEWLB-UHFFFAOYSA-N -1 0 437.930 3.787 50 0 IHAARM COc1cc(C)ccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000009828605 569569794 /nfs/dbraw/zinc/56/97/94/569569794.db2.gz AOJRRGDSBLTGPD-UHFFFAOYSA-N -1 0 431.539 3.751 50 0 IHAARM O=C([O-])c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)c1 ZINC000009968699 569575911 /nfs/dbraw/zinc/57/59/11/569575911.db2.gz XFMXBFWBOFDLBB-UHFFFAOYSA-N -1 0 443.308 3.728 50 0 IHAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000000627464 132227882 /nfs/dbraw/zinc/22/78/82/132227882.db2.gz SPHPJUVESOWRIY-LEWJYISDSA-N -1 0 447.535 3.563 50 0 IHAARM Cc1ccc(C)c(N2CCN(c3cnn(-c4ccc(C(=O)[O-])cc4)c(=O)c3Cl)CC2)c1 ZINC000013363307 132346587 /nfs/dbraw/zinc/34/65/87/132346587.db2.gz IYDFZHCXGNKUMD-UHFFFAOYSA-N -1 0 438.915 3.528 50 0 IHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000012552181 518408619 /nfs/dbraw/zinc/40/86/19/518408619.db2.gz MBVMDIJVWSXAAV-UHFFFAOYSA-N -1 0 438.461 3.671 50 0 IHAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000021882683 519713146 /nfs/dbraw/zinc/71/31/46/519713146.db2.gz MWYZOFPRXZHJNA-UHFFFAOYSA-N -1 0 443.916 3.895 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000035377898 519750256 /nfs/dbraw/zinc/75/02/56/519750256.db2.gz PBLQFFRHQQGLOL-NSHDSACASA-N -1 0 443.916 3.975 50 0 IHAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021882330 519913977 /nfs/dbraw/zinc/91/39/77/519913977.db2.gz BKRORZRRMMOKHR-UHFFFAOYSA-N -1 0 439.512 3.564 50 0 IHAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000033048539 520339733 /nfs/dbraw/zinc/33/97/33/520339733.db2.gz AXMFJCRSGKMQGG-UHFFFAOYSA-N -1 0 436.477 3.993 50 0 IHAARM CCCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000012605336 520484335 /nfs/dbraw/zinc/48/43/35/520484335.db2.gz KSOBDRLDQDGIOW-UHFFFAOYSA-N -1 0 447.538 3.750 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)cc1 ZINC000012605868 521131579 /nfs/dbraw/zinc/13/15/79/521131579.db2.gz OYLAIOXWMHFVPV-UHFFFAOYSA-N -1 0 445.928 3.865 50 0 IHAARM CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1 ZINC000022798517 521696080 /nfs/dbraw/zinc/69/60/80/521696080.db2.gz XVZFRBUWZUMJIZ-KRWDZBQOSA-N -1 0 427.505 3.622 50 0 IHAARM COC(=O)c1cc(CNC(=O)C(C)(C)C)cc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000012151604 521846930 /nfs/dbraw/zinc/84/69/30/521846930.db2.gz WMDPUPVBWGKJQR-UHFFFAOYSA-N -1 0 438.933 3.590 50 0 IHAARM COc1ccc(Br)cc1/C=C1/CCn2c1nc1cc(C(=O)[O-])ccc1c2=O ZINC000035132654 523489984 /nfs/dbraw/zinc/48/99/84/523489984.db2.gz CHJLPEXPOGSDFR-FLIBITNWSA-N -1 0 427.254 3.810 50 0 IHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 ZINC000035598113 523851338 /nfs/dbraw/zinc/85/13/38/523851338.db2.gz CKLLONZTRRLSTI-UHFFFAOYSA-N -1 0 436.497 3.524 50 0 IHAARM COc1cccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022609910 524169306 /nfs/dbraw/zinc/16/93/06/524169306.db2.gz HZGAWOUTJABEQK-LJQANCHMSA-N -1 0 439.516 3.556 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000012541967 524879790 /nfs/dbraw/zinc/87/97/90/524879790.db2.gz DHCSKNZIXCHHHM-UHFFFAOYSA-N -1 0 427.404 3.709 50 0 IHAARM COc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1Cl ZINC000035397432 525090642 /nfs/dbraw/zinc/09/06/42/525090642.db2.gz WFNVQDFZTNWZPM-UHFFFAOYSA-N -1 0 439.921 3.623 50 0 IHAARM COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022609480 525214660 /nfs/dbraw/zinc/21/46/60/525214660.db2.gz AZMDVZLRYJLCCF-IBGZPJMESA-N -1 0 439.516 3.556 50 0 IHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)cnc1N1CCCCCCC1 ZINC000035397613 526352806 /nfs/dbraw/zinc/35/28/06/526352806.db2.gz HZYXHJIETTYSAG-UHFFFAOYSA-N -1 0 425.457 3.629 50 0 IHAARM O=C(c1c2c(sc1[N-]S(=O)(=O)c1cccc(Cl)c1)CCCC2)N1CCOCC1 ZINC000012536261 526578839 /nfs/dbraw/zinc/57/88/39/526578839.db2.gz KBZGLXRTPAGQMM-UHFFFAOYSA-N -1 0 440.974 3.554 50 0 IHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012926794 527657822 /nfs/dbraw/zinc/65/78/22/527657822.db2.gz SDWGBSQMFXTECB-ZWKOTPCHSA-N -1 0 434.901 3.746 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1(c2ccccc2)CCOCC1 ZINC000001120787 555637601 /nfs/dbraw/zinc/63/76/01/555637601.db2.gz CYWCYNAOVWNFHI-UHFFFAOYSA-N -1 0 443.550 3.631 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001140247 555649520 /nfs/dbraw/zinc/64/95/20/555649520.db2.gz KIPIBYZHAKEMLE-UHFFFAOYSA-N -1 0 446.550 3.914 50 0 IHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000001142899 555651202 /nfs/dbraw/zinc/65/12/02/555651202.db2.gz UKOGMZOOYGRFRY-UHFFFAOYSA-N -1 0 435.354 3.579 50 0 IHAARM COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1Br ZINC000001160033 555661130 /nfs/dbraw/zinc/66/11/30/555661130.db2.gz WASBQGUBQIYBRA-UHFFFAOYSA-N -1 0 443.706 3.936 50 0 IHAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12 ZINC000002115930 555744974 /nfs/dbraw/zinc/74/49/74/555744974.db2.gz KHEYFSVLVOIKRL-GOSISDBHSA-N -1 0 443.883 3.508 50 0 biogenic IHAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000002828963 555831703 /nfs/dbraw/zinc/83/17/03/555831703.db2.gz SJWBQWLPKMFBKI-GTRUEHEQSA-N -1 0 428.488 3.578 50 0 IHAARM CC(=O)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)c1 ZINC000002856792 555842043 /nfs/dbraw/zinc/84/20/43/555842043.db2.gz YENHTQKTYCDTBA-UHFFFAOYSA-N -1 0 437.477 3.652 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000002902764 555861004 /nfs/dbraw/zinc/86/10/04/555861004.db2.gz MIKSJIOZXAZMFS-UHFFFAOYSA-N -1 0 446.916 3.565 50 0 IHAARM CC(C)(C)C(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002905325 555861277 /nfs/dbraw/zinc/86/12/77/555861277.db2.gz MIABFBGYKBIRFF-NSHDSACASA-N -1 0 426.753 3.530 50 0 IHAARM COc1cccc(COc2ccc(-c3nnc(CCC(=O)N4CCCCC4)c(=O)[n-]3)cc2)c1 ZINC000034763186 555904788 /nfs/dbraw/zinc/90/47/88/555904788.db2.gz SYDGQGKLUVMGDK-UHFFFAOYSA-N -1 0 448.523 3.777 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)n1 ZINC000002709541 556124728 /nfs/dbraw/zinc/12/47/28/556124728.db2.gz URZLITLCUWMIGU-UHFFFAOYSA-N -1 0 428.539 3.707 50 0 IHAARM CCn1ncc(S(=O)(=O)[N-]c2c(C)nn(Cc3cccc(C(F)(F)F)c3)c2C)c1C ZINC000002804930 556143242 /nfs/dbraw/zinc/14/32/42/556143242.db2.gz HJIDJHVIQDCVRX-UHFFFAOYSA-N -1 0 441.479 3.893 50 0 IHAARM O=C(c1cccc([S-])c1)N1C[C@@](O)(C(F)(F)F)C(c2ccc(Br)cc2)=N1 ZINC000004473792 556325014 /nfs/dbraw/zinc/32/50/14/556325014.db2.gz RLPKTCWLVJMYFS-INIZCTEOSA-N -1 0 445.260 3.891 50 0 IHAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000014093767 556366232 /nfs/dbraw/zinc/36/62/32/556366232.db2.gz HWNJJPPFOFUUKQ-UHFFFAOYSA-N -1 0 432.354 3.892 50 0 IHAARM NC(=O)COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000015082355 556501711 /nfs/dbraw/zinc/50/17/11/556501711.db2.gz DXYPUJLPGVUKES-OAHLLOKOSA-N -1 0 440.452 3.591 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000015477698 556530170 /nfs/dbraw/zinc/53/01/70/556530170.db2.gz YILQIOVICLRRMJ-UHFFFAOYSA-N -1 0 428.485 3.907 50 0 IHAARM COc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)Nc3cccc(Cl)c3C)C2)cc1OC ZINC000013593549 556531241 /nfs/dbraw/zinc/53/12/41/556531241.db2.gz ANLXDQFISAFQTG-NRFANRHFSA-N -1 0 432.860 3.642 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)c1 ZINC000033274576 556558818 /nfs/dbraw/zinc/55/88/18/556558818.db2.gz PDBNDJJWMLKYMZ-UHFFFAOYSA-N -1 0 444.553 3.595 50 0 IHAARM O=C([O-])c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000016491446 556612286 /nfs/dbraw/zinc/61/22/86/556612286.db2.gz ANLVKOOIBWTTBA-UHFFFAOYSA-N -1 0 444.896 3.872 50 0 IHAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OCC)cc3)[n-]c2=O)cc1 ZINC000016777510 556640313 /nfs/dbraw/zinc/64/03/13/556640313.db2.gz CDWDMDQVWUFGLJ-UHFFFAOYSA-N -1 0 440.525 3.696 50 0 IHAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238923863 556682238 /nfs/dbraw/zinc/68/22/38/556682238.db2.gz PRJMUHABANULGT-YDHLFZDLSA-N -1 0 435.904 3.783 50 0 biogenic IHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)c(OC)c1OC ZINC000061719466 556726386 /nfs/dbraw/zinc/72/63/86/556726386.db2.gz ZEOAOHGRACBVJI-CYBMUJFWSA-N -1 0 440.427 3.815 50 0 IHAARM CS[C@@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C1 ZINC000078814754 556736611 /nfs/dbraw/zinc/73/66/11/556736611.db2.gz ZUOSSOYNHKRFCR-GXTWGEPZSA-N -1 0 426.585 3.659 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000097940898 556810653 /nfs/dbraw/zinc/81/06/53/556810653.db2.gz PFKJGONOWAOEGB-UHFFFAOYSA-N -1 0 446.504 3.853 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)c(OC)c1 ZINC000032943985 557022257 /nfs/dbraw/zinc/02/22/57/557022257.db2.gz YNDBQCIKMASIAJ-ZDUSSCGKSA-N -1 0 448.566 3.742 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)c(OC)c1 ZINC000032943986 557022268 /nfs/dbraw/zinc/02/22/68/557022268.db2.gz YNDBQCIKMASIAJ-CYBMUJFWSA-N -1 0 448.566 3.742 50 0 IHAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157542 557030494 /nfs/dbraw/zinc/03/04/94/557030494.db2.gz XWSIZWDVZWACEH-LJQANCHMSA-N -1 0 441.507 3.995 50 0 IHAARM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010834533 557032980 /nfs/dbraw/zinc/03/29/80/557032980.db2.gz QDWJJLGMESBLKK-UHFFFAOYSA-N -1 0 441.534 3.928 50 0 IHAARM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)N1CCCCCC1 ZINC000032948526 557059051 /nfs/dbraw/zinc/05/90/51/557059051.db2.gz HYBRDGBTKZWTTD-UHFFFAOYSA-N -1 0 432.596 3.999 50 0 IHAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000000665476 557130788 /nfs/dbraw/zinc/13/07/88/557130788.db2.gz SGLQQKNREYNOFS-MRXNPFEDSA-N -1 0 438.505 3.750 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2cc(Br)ccc2OC)c(OC)cc1Cl ZINC000002836879 557134047 /nfs/dbraw/zinc/13/40/47/557134047.db2.gz NXEZGBPXTPQWCL-UHFFFAOYSA-N -1 0 436.711 3.929 50 0 IHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@H](c2cccc(Br)c2)C1 ZINC000101100847 557255535 /nfs/dbraw/zinc/25/55/35/557255535.db2.gz VTPJYCJJACQJFT-KRWDZBQOSA-N -1 0 439.269 3.881 50 0 IHAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101168516 557258636 /nfs/dbraw/zinc/25/86/36/557258636.db2.gz ARILGLQBIPYFNO-FGZHOGPDSA-N -1 0 433.512 3.865 50 0 IHAARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=C(NCc2ccccc2)Nc2ccccc2)C1=O ZINC000101382560 557281904 /nfs/dbraw/zinc/28/19/04/557281904.db2.gz LWZIZMDJKDPMEC-DQRAZIAOSA-N -1 0 426.476 3.691 50 0 IHAARM O=S(=O)([N-]c1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)c1cccs1 ZINC000011665577 557285755 /nfs/dbraw/zinc/28/57/55/557285755.db2.gz ZTRWMCVUXDOZMZ-UHFFFAOYSA-N -1 0 434.506 3.716 50 0 IHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1Br ZINC000013345379 557306589 /nfs/dbraw/zinc/30/65/89/557306589.db2.gz OPCUJCXEFFZGPE-UHFFFAOYSA-N -1 0 435.093 3.711 50 0 IHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@H](c2ccccc2Br)C1 ZINC000101836781 557303236 /nfs/dbraw/zinc/30/32/36/557303236.db2.gz LWASWYRDRRULON-KRWDZBQOSA-N -1 0 439.269 3.881 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)no4)c=3c2=O)cc1C ZINC000101893105 557306132 /nfs/dbraw/zinc/30/61/32/557306132.db2.gz LOXAGGOCIGNIQQ-ROUUACIJSA-N -1 0 436.859 3.500 50 0 IHAARM CCc1nn2c([n-]1)nc(CSc1nc3ccc(NC(=O)CC(C)C)cc3s1)cc2=O ZINC000102621440 557359636 /nfs/dbraw/zinc/35/96/36/557359636.db2.gz WYKZUDRHUXROQU-UHFFFAOYSA-N -1 0 442.570 3.867 50 0 IHAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000102725440 557369681 /nfs/dbraw/zinc/36/96/81/557369681.db2.gz CGDNNSCPXPIDBQ-RJGXRXQPSA-N -1 0 429.476 3.922 50 0 IHAARM CCc1ccc(N2C(=O)C[C@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000102729779 557370877 /nfs/dbraw/zinc/37/08/77/557370877.db2.gz DTEOAPYOBULKDK-MRXNPFEDSA-N -1 0 432.505 3.693 50 0 IHAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C(=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000102760487 557385301 /nfs/dbraw/zinc/38/53/01/557385301.db2.gz OQASDXQACGOCDP-FDFHNCONSA-N -1 0 428.444 3.744 50 0 IHAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2F)cc1 ZINC000102901371 557411377 /nfs/dbraw/zinc/41/13/77/557411377.db2.gz RJESKEVBLGCXJS-LJQANCHMSA-N -1 0 440.406 3.796 50 0 IHAARM COc1ccc(C(=O)OCc2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000045660234 557545031 /nfs/dbraw/zinc/54/50/31/557545031.db2.gz UGNKWAWHUCTOEX-UHFFFAOYSA-N -1 0 430.482 3.766 50 0 IHAARM Cc1c(C(=O)[O-])nnn1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000685944900 557839296 /nfs/dbraw/zinc/83/92/96/557839296.db2.gz HBNDUFQEBWVBQE-UHFFFAOYSA-N -1 0 432.480 3.871 50 0 IHAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c12 ZINC000002125104 562925959 /nfs/dbraw/zinc/92/59/59/562925959.db2.gz OJUPJYPBBXUCNE-KRWDZBQOSA-N -1 0 443.883 3.508 50 0 biogenic IHAARM O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002659406 562929577 /nfs/dbraw/zinc/92/95/77/562929577.db2.gz ZEPGGJQTELPHKI-UHFFFAOYSA-N -1 0 437.308 3.765 50 0 IHAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006143073 562946345 /nfs/dbraw/zinc/94/63/45/562946345.db2.gz LWUSFCRZUUTVRO-UHFFFAOYSA-N -1 0 446.326 3.575 50 0 IHAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)c2)nn1 ZINC000008610086 562958114 /nfs/dbraw/zinc/95/81/14/562958114.db2.gz GNDGAEFXZWOVDI-UHFFFAOYSA-N -1 0 429.498 3.750 50 0 IHAARM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2)c1ccccc1 ZINC000008691516 562963459 /nfs/dbraw/zinc/96/34/59/562963459.db2.gz VHJSCQSNCPYRRD-CTNGQTDRSA-N -1 0 429.863 3.957 50 0 aggregator IHAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1Cl ZINC000009684549 562975457 /nfs/dbraw/zinc/97/54/57/562975457.db2.gz YYXFVNLLCOMPLU-UHFFFAOYSA-N -1 0 425.938 3.720 50 0 IHAARM Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc(C)c1Cl ZINC000000942843 568641851 /nfs/dbraw/zinc/64/18/51/568641851.db2.gz OZJBSMPIBOAVTQ-UHFFFAOYSA-N -1 0 446.916 3.565 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)nc(C)n1 ZINC000000944189 568643084 /nfs/dbraw/zinc/64/30/84/568643084.db2.gz HRWVIMOKLKDGEJ-UHFFFAOYSA-N -1 0 440.525 3.529 50 0 IHAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000086066750 568644072 /nfs/dbraw/zinc/64/40/72/568644072.db2.gz DVXGDBBAINNXCP-UHFFFAOYSA-N -1 0 445.523 3.879 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(Cc3c(Cl)cccc3Cl)c2)cc1 ZINC000001019117 568651232 /nfs/dbraw/zinc/65/12/32/568651232.db2.gz AZXDOTYIYKFMCC-UHFFFAOYSA-N -1 0 439.324 3.997 50 0 IHAARM CC(C)(C)OC(=O)NC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632638 568790094 /nfs/dbraw/zinc/79/00/94/568790094.db2.gz KUNBFIUWYNXGCJ-OAHLLOKOSA-N -1 0 440.496 3.893 50 0 IHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000015669390 568801926 /nfs/dbraw/zinc/80/19/26/568801926.db2.gz JBAGDXILYDGJKL-UHFFFAOYSA-N -1 0 439.537 3.824 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1 ZINC000001516959 568839903 /nfs/dbraw/zinc/83/99/03/568839903.db2.gz ZBYLLTGOPISCBJ-UHFFFAOYSA-N -1 0 446.916 3.565 50 0 IHAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1)c1cccs1 ZINC000090607355 568890120 /nfs/dbraw/zinc/89/01/20/568890120.db2.gz QFKDJVFQNZMKBW-CYBMUJFWSA-N -1 0 428.432 3.556 50 0 IHAARM Cc1cc(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000238901382 568910314 /nfs/dbraw/zinc/91/03/14/568910314.db2.gz LTYQOLVSUIPHPB-ULQDDVLXSA-N -1 0 441.524 3.755 50 0 IHAARM COCCN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)SC1=Nc1ccccc1 ZINC000252599896 568925973 /nfs/dbraw/zinc/92/59/73/568925973.db2.gz DMIOSRVUTGTVFJ-KHSCPFDSSA-N -1 0 435.505 3.976 50 0 IHAARM COc1cc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)cc(Br)c1O ZINC000252626725 568926326 /nfs/dbraw/zinc/92/63/26/568926326.db2.gz REMOLXLEPKCEMK-UHFFFAOYSA-N -1 0 427.262 3.737 50 0 IHAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000016689804 568938290 /nfs/dbraw/zinc/93/82/90/568938290.db2.gz UQJYVNRMRZUAPK-SUNYJGFJSA-N -1 0 440.525 3.964 50 0 IHAARM COc1cc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(F)cc2)cc(OC)c1OC ZINC000064757604 568952094 /nfs/dbraw/zinc/95/20/94/568952094.db2.gz XYCPHGKBOSNWSW-UHFFFAOYSA-N -1 0 433.461 3.791 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2CC)[n-]c1=O ZINC000064774726 568954093 /nfs/dbraw/zinc/95/40/93/568954093.db2.gz SQEUKIZZWHVIEM-UHFFFAOYSA-N -1 0 437.525 3.886 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)[n-]c1=O ZINC000064774841 568954155 /nfs/dbraw/zinc/95/41/55/568954155.db2.gz LUISXZUMDAXWNL-UHFFFAOYSA-N -1 0 445.451 3.520 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)[n-]c1=O ZINC000064774878 568954203 /nfs/dbraw/zinc/95/42/03/568954203.db2.gz UTOAUNQZZWXUGG-UHFFFAOYSA-N -1 0 447.879 3.726 50 0 IHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(C)nc(N3CCCCC3)n2)cc1 ZINC000064801910 568961876 /nfs/dbraw/zinc/96/18/76/568961876.db2.gz CUJIUODIBLVRKI-UHFFFAOYSA-N -1 0 442.545 3.925 50 0 IHAARM Cc1ccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c(C)c1 ZINC000064843283 568970943 /nfs/dbraw/zinc/97/09/43/568970943.db2.gz OLUYVYZDUTVOMD-UHFFFAOYSA-N -1 0 425.510 3.834 50 0 IHAARM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3nc4ccc(OC)cc4s3)ccc21 ZINC000064861532 568973924 /nfs/dbraw/zinc/97/39/24/568973924.db2.gz OVNYOIZSZGBKIL-UHFFFAOYSA-N -1 0 446.554 3.588 50 0 IHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)sc1C ZINC000065097609 569104009 /nfs/dbraw/zinc/10/40/09/569104009.db2.gz QMUJCMUOQIZGKF-UHFFFAOYSA-N -1 0 446.554 3.706 50 0 IHAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000065116004 569107026 /nfs/dbraw/zinc/10/70/26/569107026.db2.gz LNTYWPRSVJTKPU-UHFFFAOYSA-N -1 0 443.481 3.620 50 0 IHAARM COc1ccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1OC ZINC000016848345 569164162 /nfs/dbraw/zinc/16/41/62/569164162.db2.gz DELUPNHFAIYRDE-UHFFFAOYSA-N -1 0 447.538 3.532 50 0 IHAARM COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1OC ZINC000016960010 569168134 /nfs/dbraw/zinc/16/81/34/569168134.db2.gz ORMSACOFYJYWLG-UHFFFAOYSA-N -1 0 447.900 3.805 50 0 IHAARM Cc1cc(NC(=O)c2cccs2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1 ZINC000017135731 569174377 /nfs/dbraw/zinc/17/43/77/569174377.db2.gz XGEKRGWXWFLOGH-UHFFFAOYSA-N -1 0 445.508 3.946 50 0 IHAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002096613 569179309 /nfs/dbraw/zinc/17/93/09/569179309.db2.gz MSRLZDNZQBUPDZ-KRWDZBQOSA-N -1 0 431.510 3.638 50 0 biogenic IHAARM CSC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002138702 569185313 /nfs/dbraw/zinc/18/53/13/569185313.db2.gz KDMARFWNPXDZSG-KRWDZBQOSA-N -1 0 443.521 3.591 50 0 biogenic IHAARM CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)[O-])n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002254517 569216715 /nfs/dbraw/zinc/21/67/15/569216715.db2.gz MXMNQXMTQKGYAO-NRFANRHFSA-N -1 0 430.551 3.924 50 0 IHAARM COc1cc2c(cc1OC)C1=NC(=O)[C@H](CC3CCCCC3)N1C(S[C@@H](C)C(=O)[O-])=N2 ZINC000008873477 569291660 /nfs/dbraw/zinc/29/16/60/569291660.db2.gz KYRYBTBAMFNFBZ-LRDDRELGSA-N -1 0 445.541 3.839 50 0 IHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 ZINC000013360906 569314009 /nfs/dbraw/zinc/31/40/09/569314009.db2.gz HZSHJXBUUVWNDV-LJQANCHMSA-N -1 0 433.526 3.590 50 0 IHAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000079112267 569326260 /nfs/dbraw/zinc/32/62/60/569326260.db2.gz CSWLZPCAKGQZNV-KRWDZBQOSA-N -1 0 441.285 3.868 50 0 IHAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000079112270 569326294 /nfs/dbraw/zinc/32/62/94/569326294.db2.gz CSWLZPCAKGQZNV-QGZVFWFLSA-N -1 0 441.285 3.868 50 0 IHAARM CCOC(=O)c1cc(C)cc(Br)c1[N-]S(=O)(=O)c1cn([C@H](C)CC)cn1 ZINC000095965990 569377389 /nfs/dbraw/zinc/37/73/89/569377389.db2.gz OMBNFLHEIOSMTN-GFCCVEGCSA-N -1 0 444.351 3.903 50 0 IHAARM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)cc21 ZINC000096098433 569381546 /nfs/dbraw/zinc/38/15/46/569381546.db2.gz ZSFRJTBNVHKIRF-UHFFFAOYSA-N -1 0 426.416 3.685 50 0 IHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119717 569384788 /nfs/dbraw/zinc/38/47/88/569384788.db2.gz YTIZCCBNBDQKOO-UHFFFAOYSA-N -1 0 445.478 3.569 50 0 IHAARM CCN(CC)S(=O)(=O)c1cccc(N=Nc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1 ZINC000254790806 569440557 /nfs/dbraw/zinc/44/05/57/569440557.db2.gz LGUFOATUAZQXGL-UHFFFAOYSA-N -1 0 447.948 3.561 50 0 IHAARM Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)n[nH]2)c1 ZINC000067244826 569465819 /nfs/dbraw/zinc/46/58/19/569465819.db2.gz FRRJTUAHAUNLQL-UHFFFAOYSA-N -1 0 435.303 3.534 50 0 IHAARM CCOC(=O)C=C([O-])c1sc2c(c1N)[C@@H](c1cccs1)C(C(=O)OCC)C(C)=N2 ZINC000008934258 569487931 /nfs/dbraw/zinc/48/79/31/569487931.db2.gz QUSPRLJWTFTEIY-HNNXBMFYSA-N -1 0 434.539 3.922 50 0 IHAARM Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008959059 569490312 /nfs/dbraw/zinc/49/03/12/569490312.db2.gz ZRYJIDABJYTDJG-UHFFFAOYSA-N -1 0 438.505 3.836 50 0 IHAARM CC(=O)Nc1ccc(-c2csc(NC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000008965481 569491432 /nfs/dbraw/zinc/49/14/32/569491432.db2.gz ADEIUYAGPQNROX-UHFFFAOYSA-N -1 0 430.511 3.587 50 0 IHAARM CSCC[C@@H](NC(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C)C(=O)[O-] ZINC000040283084 569497772 /nfs/dbraw/zinc/49/77/72/569497772.db2.gz CDMFSRGZWGPOHV-GFCCVEGCSA-N -1 0 434.461 3.953 50 0 IHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2c1cccc2Br ZINC000040309267 569498670 /nfs/dbraw/zinc/49/86/70/569498670.db2.gz IFTKGFIWJHZLDZ-SFHVURJKSA-N -1 0 440.297 3.697 50 0 biogenic IHAARM COc1ccc(-c2cc(C(=O)N[C@@H](CCSC)C(=O)[O-])c3ccccc3n2)cc1OC ZINC000040312460 569498851 /nfs/dbraw/zinc/49/88/51/569498851.db2.gz KCEXMQXOFIDLNK-SFHVURJKSA-N -1 0 440.521 3.855 50 0 biogenic IHAARM CCN(CC)S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000009128049 569505311 /nfs/dbraw/zinc/50/53/11/569505311.db2.gz XYNDOYFBTUSPPB-UHFFFAOYSA-N -1 0 434.942 3.619 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC)cc1 ZINC000009130161 569505979 /nfs/dbraw/zinc/50/59/79/569505979.db2.gz VKRBFSAOAOBWDN-UHFFFAOYSA-N -1 0 430.457 3.896 50 0 IHAARM Cc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)c1C ZINC000009152010 569507653 /nfs/dbraw/zinc/50/76/53/569507653.db2.gz XOFLOTSIRXOHQA-UHFFFAOYSA-N -1 0 439.493 3.523 50 0 IHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CC)C(=O)C(C)(C)CO2 ZINC000009170746 569509305 /nfs/dbraw/zinc/50/93/05/569509305.db2.gz DMKCQCNEAWOFDW-UHFFFAOYSA-N -1 0 432.542 3.966 50 0 IHAARM O=S(=O)([N-]c1cc(F)ccc1O)c1cc(Br)ccc1Br ZINC000070332930 569539424 /nfs/dbraw/zinc/53/94/24/569539424.db2.gz DQIYILQNLPWIFA-UHFFFAOYSA-N -1 0 425.073 3.857 50 0 IHAARM O=S(=O)([N-]c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccs1 ZINC000009493774 569540782 /nfs/dbraw/zinc/54/07/82/569540782.db2.gz ADOQXHQUQDVOBJ-UHFFFAOYSA-N -1 0 444.943 3.709 50 0 IHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000009529586 569544884 /nfs/dbraw/zinc/54/48/84/569544884.db2.gz WDAFGCNPPBOSKL-UHFFFAOYSA-N -1 0 428.489 3.692 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccccc2F)c1 ZINC000009591008 569550124 /nfs/dbraw/zinc/55/01/24/569550124.db2.gz BIYANJOYTNMUQP-UHFFFAOYSA-N -1 0 444.484 3.825 50 0 IHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000009646440 569556299 /nfs/dbraw/zinc/55/62/99/569556299.db2.gz SZDZVBAUQZAELV-UHFFFAOYSA-N -1 0 425.459 3.645 50 0 IHAARM CCOc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000009828587 569569702 /nfs/dbraw/zinc/56/97/02/569569702.db2.gz JVCRMUOGHDJCKP-UHFFFAOYSA-N -1 0 431.539 3.832 50 0 IHAARM Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)c1 ZINC000000627346 132227912 /nfs/dbraw/zinc/22/79/12/132227912.db2.gz FSIWPSKBRWDXLX-RTWAWAEBSA-N -1 0 449.551 3.787 50 0 IHAARM CN1C(=O)COc2ccc(-c3csc([N-]S(=O)(=O)Cc4ccc(Cl)cc4)n3)cc21 ZINC000011639656 132338420 /nfs/dbraw/zinc/33/84/20/132338420.db2.gz MCOQWLJRWITVTH-UHFFFAOYSA-N -1 0 449.941 3.761 50 0 IHAARM CCS(=O)(=O)Nc1cnc(N(Cc2ccccc2)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000035397370 521686743 /nfs/dbraw/zinc/68/67/43/521686743.db2.gz XHXHZILWCGNDQP-UHFFFAOYSA-N -1 0 425.510 3.748 50 0 IHAARM CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854575 522534807 /nfs/dbraw/zinc/53/48/07/522534807.db2.gz FOHYHJIMLFJMAE-OAQYLSRUSA-N -1 0 449.580 3.979 50 0 IHAARM CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022854463 522535650 /nfs/dbraw/zinc/53/56/50/522535650.db2.gz AZALQOOSAKRADW-MRXNPFEDSA-N -1 0 439.507 3.805 50 0 IHAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854569 522537280 /nfs/dbraw/zinc/53/72/80/522537280.db2.gz IITLMRIIKAQMHH-NRFANRHFSA-N -1 0 449.580 3.979 50 0 IHAARM COc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012557028 523603019 /nfs/dbraw/zinc/60/30/19/523603019.db2.gz VEYNRSGZUHQUIL-UHFFFAOYSA-N -1 0 428.510 3.978 50 0 IHAARM COc1ccccc1-c1nc(CSc2nc3nc(C)c(CC(=O)[O-])c(C)n3n2)cs1 ZINC000012817564 524279922 /nfs/dbraw/zinc/27/99/22/524279922.db2.gz LJYHGMQMWNAQFZ-UHFFFAOYSA-N -1 0 441.538 3.793 50 0 IHAARM COc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012526333 524468205 /nfs/dbraw/zinc/46/82/05/524468205.db2.gz XMJAGYDZWJPYLA-UHFFFAOYSA-N -1 0 427.320 3.853 50 0 IHAARM Cc1cccc(N(Cc2ccccc2)C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c1 ZINC000012683610 524527907 /nfs/dbraw/zinc/52/79/07/524527907.db2.gz GFBDBWKTSBNSPK-UHFFFAOYSA-N -1 0 427.460 3.637 50 0 IHAARM COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012557097 524630993 /nfs/dbraw/zinc/63/09/93/524630993.db2.gz XKHWVVGFDPPXHG-UHFFFAOYSA-N -1 0 440.477 3.520 50 0 IHAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012630373 524673082 /nfs/dbraw/zinc/67/30/82/524673082.db2.gz KFISFKDFPIRAJW-UHFFFAOYSA-N -1 0 433.711 3.870 50 0 IHAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1N1CCOCC1 ZINC000016424977 524755249 /nfs/dbraw/zinc/75/52/49/524755249.db2.gz GWQNKFVUJGBSJN-UHFFFAOYSA-N -1 0 445.903 3.541 50 0 IHAARM C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012639708 525074832 /nfs/dbraw/zinc/07/48/32/525074832.db2.gz KJXSCSFXAYSUQS-OKILXGFUSA-N -1 0 432.933 3.698 50 0 IHAARM C[C@]1(c2ccccc2)C[C@@H](Nc2ccc(I)cc2C(=O)[O-])C(=O)O1 ZINC000012402141 525331855 /nfs/dbraw/zinc/33/18/55/525331855.db2.gz BUPYJCMKAHHTOT-CRAIPNDOSA-N -1 0 437.233 3.632 50 0 biogenic,in-vitro IHAARM CSCC[C@H](NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl)C(=O)[O-] ZINC000041156803 525593063 /nfs/dbraw/zinc/59/30/63/525593063.db2.gz YTNJUXJAZMSZGY-AWEZNQCLSA-N -1 0 425.963 3.667 50 0 IHAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000042711665 525966178 /nfs/dbraw/zinc/96/61/78/525966178.db2.gz JKNPJCOVCGNUOV-HNNXBMFYSA-N -1 0 443.883 3.768 50 0 IHAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017097117 526316978 /nfs/dbraw/zinc/31/69/78/526316978.db2.gz PSSBOJMQGNBQBN-UGTAFDGBSA-N -1 0 430.570 3.985 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012630315 527257125 /nfs/dbraw/zinc/25/71/25/527257125.db2.gz RRGISKKUYCHQGK-INIZCTEOSA-N -1 0 435.914 3.540 50 0 IHAARM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000012526426 527496684 /nfs/dbraw/zinc/49/66/84/527496684.db2.gz OEGPSGDBYNBCOT-UHFFFAOYSA-N -1 0 429.723 3.796 50 0 IHAARM O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)o1 ZINC000035597502 527517101 /nfs/dbraw/zinc/51/71/01/527517101.db2.gz WFKHHWCIDIEPPO-UHFFFAOYSA-N -1 0 443.462 3.671 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000000665940 555528371 /nfs/dbraw/zinc/52/83/71/555528371.db2.gz RIDBUQSTYVVMCU-INIZCTEOSA-N -1 0 437.521 3.937 50 0 IHAARM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1 ZINC000000674229 555533101 /nfs/dbraw/zinc/53/31/01/555533101.db2.gz QJNBLRYJUOLEHU-UHFFFAOYSA-N -1 0 440.477 3.837 50 0 IHAARM CCOc1ccccc1C(=O)NC([N-]c1nnc(C)s1)(C(F)(F)F)C(F)(F)F ZINC000000721247 555550253 /nfs/dbraw/zinc/55/02/53/555550253.db2.gz XGVCPKWLNXCAOJ-UHFFFAOYSA-N -1 0 428.358 3.908 50 0 IHAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nnc(CC)s3)cc2)cc1 ZINC000000842377 555568171 /nfs/dbraw/zinc/56/81/71/555568171.db2.gz BHSHUYQAVUIMHS-UHFFFAOYSA-N -1 0 432.527 3.552 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)no1 ZINC000000904162 555581690 /nfs/dbraw/zinc/58/16/90/555581690.db2.gz VKDVMRYFIBOTAE-UHFFFAOYSA-N -1 0 435.889 3.763 50 0 IHAARM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001112989 555632695 /nfs/dbraw/zinc/63/26/95/555632695.db2.gz WXKAJEDFUINKBE-UHFFFAOYSA-N -1 0 437.930 3.923 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(O)c2)cc1 ZINC000001226927 555686321 /nfs/dbraw/zinc/68/63/21/555686321.db2.gz SKUSFCDZVYCFMF-UHFFFAOYSA-N -1 0 449.492 3.838 50 0 IHAARM COc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001903360 555723614 /nfs/dbraw/zinc/72/36/14/555723614.db2.gz ROMRRZDAUGIQSH-UHFFFAOYSA-N -1 0 447.538 3.750 50 0 IHAARM Cc1ccc(OC(=O)CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000002134405 555746847 /nfs/dbraw/zinc/74/68/47/555746847.db2.gz AFTOIGJQPIAEOS-UHFFFAOYSA-N -1 0 445.522 3.577 50 0 IHAARM COc1cc(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)cc(OC)c1OC ZINC000002482279 555783460 /nfs/dbraw/zinc/78/34/60/555783460.db2.gz YHDYZOXFYCUOQL-UHFFFAOYSA-N -1 0 428.437 3.642 50 0 IHAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1CC(C)(C)OC2 ZINC000002476670 555783547 /nfs/dbraw/zinc/78/35/47/555783547.db2.gz HIQUIXTUNZZPLW-VXGBXAGGSA-N -1 0 441.933 3.948 50 0 IHAARM C[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000002917881 555863067 /nfs/dbraw/zinc/86/30/67/555863067.db2.gz AWWAHIKVFWDIAA-QIQQCEGHSA-N -1 0 428.916 3.998 50 0 IHAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763735 555905719 /nfs/dbraw/zinc/90/57/19/555905719.db2.gz CIDDWTHLSPQOQX-QGZVFWFLSA-N -1 0 436.512 3.549 50 0 IHAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(I)cc1)C(=O)[O-] ZINC000004241171 555978817 /nfs/dbraw/zinc/97/88/17/555978817.db2.gz NXSXNFISDKPVCF-QGZVFWFLSA-N -1 0 431.270 3.688 50 0 IHAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCc1ccccc1Cl ZINC000002975230 556153106 /nfs/dbraw/zinc/15/31/06/556153106.db2.gz QDAZFIGBUHDKGY-UHFFFAOYSA-N -1 0 431.901 3.538 50 0 IHAARM CCOC(=O)[C@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1cccnc1)C(F)(F)F ZINC000008626860 556193931 /nfs/dbraw/zinc/19/39/31/556193931.db2.gz WJQOFFYUMRXVCV-INIZCTEOSA-N -1 0 435.324 3.764 50 0 biogenic IHAARM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009191839 556254155 /nfs/dbraw/zinc/25/41/55/556254155.db2.gz PDCSQECJJCYARJ-INIZCTEOSA-N -1 0 435.502 3.879 50 0 IHAARM COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3cc(Cl)c([O-])cc3oc1=O)CC2 ZINC000013684945 556275458 /nfs/dbraw/zinc/27/54/58/556275458.db2.gz VUVOGZRXJNCDAG-UHFFFAOYSA-N -1 0 443.883 3.605 50 0 biogenic IHAARM O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000011859149 556367714 /nfs/dbraw/zinc/36/77/14/556367714.db2.gz UIUBIZQIHWQRLB-JMSVASOKSA-N -1 0 438.349 3.871 50 0 IHAARM CCc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000014244202 556403870 /nfs/dbraw/zinc/40/38/70/556403870.db2.gz NAAAIDLQYONQJT-UHFFFAOYSA-N -1 0 446.429 3.870 50 0 IHAARM CC(C)C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632707 556430344 /nfs/dbraw/zinc/43/03/44/556430344.db2.gz MNNUVRRKKDHLBI-QFIPXVFZSA-N -1 0 436.508 3.579 50 0 IHAARM COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000013608695 556533826 /nfs/dbraw/zinc/53/38/26/556533826.db2.gz WVBLLEMUOGFVPR-SIKLNZKXSA-N -1 0 444.503 3.999 50 0 IHAARM COc1ccccc1CCNC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000034767599 556582307 /nfs/dbraw/zinc/58/23/07/556582307.db2.gz GBEQRHMUPAUDIB-UHFFFAOYSA-N -1 0 446.429 3.563 50 0 IHAARM C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2)C1 ZINC000016121828 556584295 /nfs/dbraw/zinc/58/42/95/556584295.db2.gz PJLIRXSJLRVJAZ-ZDUSSCGKSA-N -1 0 446.953 3.701 50 0 IHAARM Cc1oc(-c2cccs2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000100697372 556650575 /nfs/dbraw/zinc/65/05/75/556650575.db2.gz PNBPRRWJIYYCNL-HOTGVXAUSA-N -1 0 427.873 3.858 50 0 IHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1cccc(-c2ccoc2)c1 ZINC000115039082 556695608 /nfs/dbraw/zinc/69/56/08/556695608.db2.gz BGGMLMAPVODXAU-UHFFFAOYSA-N -1 0 428.828 3.892 50 0 IHAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000138721491 556719497 /nfs/dbraw/zinc/71/94/97/556719497.db2.gz FBYKKEJUYQCEDB-YTFSRNRJSA-N -1 0 448.450 3.894 50 0 IHAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000097940858 556811524 /nfs/dbraw/zinc/81/15/24/556811524.db2.gz AWJWEUIPAWVOOG-UHFFFAOYSA-N -1 0 428.514 3.632 50 0 IHAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1F ZINC000003433683 556815491 /nfs/dbraw/zinc/81/54/91/556815491.db2.gz AHKZJNMJLCLGAG-UHFFFAOYSA-N -1 0 446.431 3.561 50 0 IHAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2cccc(OC)c2)C1 ZINC000019644650 556839360 /nfs/dbraw/zinc/83/93/60/556839360.db2.gz BARZRAMDVNLFJJ-CYBMUJFWSA-N -1 0 446.525 3.564 50 0 IHAARM COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCC3)c1 ZINC000019644659 556839476 /nfs/dbraw/zinc/83/94/76/556839476.db2.gz PPPQPAVWLQXOFR-GFCCVEGCSA-N -1 0 446.525 3.946 50 0 IHAARM O=C(CCc1c[nH]c2ccccc12)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097123311 556990833 /nfs/dbraw/zinc/99/08/33/556990833.db2.gz MZFRWUJZLKJITO-UHFFFAOYSA-N -1 0 437.503 3.688 50 0 IHAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157548 557030596 /nfs/dbraw/zinc/03/05/96/557030596.db2.gz RBSJEXZLQAVTRF-LJQANCHMSA-N -1 0 441.507 3.995 50 0 IHAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3)CC2)c1 ZINC000023157897 557030900 /nfs/dbraw/zinc/03/09/00/557030900.db2.gz IDIXUNFOOSYCPJ-HXUWFJFHSA-N -1 0 435.553 3.725 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(C)=O)s1 ZINC000033306476 557085417 /nfs/dbraw/zinc/08/54/17/557085417.db2.gz UQJAOKKEJJMRBO-CSKARUKUSA-N -1 0 433.511 3.983 50 0 IHAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000024259649 557142020 /nfs/dbraw/zinc/14/20/20/557142020.db2.gz AWWWLZQZCXVTSV-MRXNPFEDSA-N -1 0 438.505 3.765 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000024244608 557142089 /nfs/dbraw/zinc/14/20/89/557142089.db2.gz LIHOYHZRTYUESX-UHFFFAOYSA-N -1 0 440.308 3.657 50 0 IHAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c=2c1=O ZINC000018162366 557244940 /nfs/dbraw/zinc/24/49/40/557244940.db2.gz CJBHGYLPCXQRCN-FUHWJXTLSA-N -1 0 446.294 3.542 50 0 IHAARM O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000026986307 557253207 /nfs/dbraw/zinc/25/32/07/557253207.db2.gz FRGSWULVFFVTFQ-UHFFFAOYSA-N -1 0 441.534 3.693 50 0 IHAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1Br ZINC000101167762 557258353 /nfs/dbraw/zinc/25/83/53/557258353.db2.gz UWXWQNWZHUYTQM-JKSUJKDBSA-N -1 0 449.692 3.605 50 0 IHAARM COc1ccc(Br)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1 ZINC000101168142 557258681 /nfs/dbraw/zinc/25/86/81/557258681.db2.gz RMSJMRZAIHEIGJ-HZPDHXFCSA-N -1 0 449.692 3.605 50 0 IHAARM CCCn1c(=O)c(C(=O)Nc2ccc(I)cc2)c([O-])c2ccccc21 ZINC000100498501 557262397 /nfs/dbraw/zinc/26/23/97/557262397.db2.gz NLAWOTDREZXQBC-UHFFFAOYSA-N -1 0 448.260 3.974 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)n1 ZINC000027580833 557266451 /nfs/dbraw/zinc/26/64/51/557266451.db2.gz PVYAFRZLWOTEQJ-UHFFFAOYSA-N -1 0 449.492 3.802 50 0 IHAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c(Cl)c1 ZINC000101352879 557274907 /nfs/dbraw/zinc/27/49/07/557274907.db2.gz CZKFXHKVOMZBCH-ZWKOTPCHSA-N -1 0 446.294 3.542 50 0 IHAARM CC(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2C)cc1 ZINC000101767482 557295814 /nfs/dbraw/zinc/29/58/14/557295814.db2.gz SHYSLHZGGTWPIT-LJQANCHMSA-N -1 0 438.915 3.789 50 0 IHAARM Cc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4[nH]cc-3c2=O)c(Br)c1 ZINC000101800992 557298826 /nfs/dbraw/zinc/29/88/26/557298826.db2.gz NWPFWPWUCKVSCX-UHFFFAOYSA-N -1 0 429.249 3.678 50 0 IHAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)cc1Cl ZINC000101835456 557301972 /nfs/dbraw/zinc/30/19/72/557301972.db2.gz JZEHJPCCWBATOC-KRWDZBQOSA-N -1 0 442.834 3.920 50 0 IHAARM Cc1ccc(C2=Nc3nc([N-]S(C)(=O)=O)nn3[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101837570 557303479 /nfs/dbraw/zinc/30/34/79/557303479.db2.gz RAHDRSAOTIZMQO-INIZCTEOSA-N -1 0 433.896 3.807 50 0 IHAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)c1 ZINC000101893221 557306153 /nfs/dbraw/zinc/30/61/53/557306153.db2.gz TVUGXNSNLUQMCS-VQTJNVASSA-N -1 0 430.468 3.662 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1C ZINC000101893128 557306203 /nfs/dbraw/zinc/30/62/03/557306203.db2.gz LNFSXJRAMZOCQB-QZTJIDSGSA-N -1 0 436.859 3.500 50 0 IHAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)c(C)o2)cc1 ZINC000101111205 557455580 /nfs/dbraw/zinc/45/55/80/557455580.db2.gz RIFHDKUMBFHCJL-WOJBJXKFSA-N -1 0 449.442 3.681 50 0 IHAARM COc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000225501220 557731169 /nfs/dbraw/zinc/73/11/69/557731169.db2.gz XIKNOTNPZQERER-UHFFFAOYSA-N -1 0 436.493 3.933 50 0 IHAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000229251122 557831940 /nfs/dbraw/zinc/83/19/40/557831940.db2.gz YXULWJUBTNSZEX-YTFSRNRJSA-N -1 0 430.460 3.755 50 0 IHAARM COc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc(Cl)cc3)s2)cc1OC ZINC000000987640 562919897 /nfs/dbraw/zinc/91/98/97/562919897.db2.gz KTQMBSYAWKRIMA-UHFFFAOYSA-N -1 0 425.919 3.600 50 0 IHAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c12 ZINC000002125105 562925966 /nfs/dbraw/zinc/92/59/66/562925966.db2.gz OJUPJYPBBXUCNE-QGZVFWFLSA-N -1 0 443.883 3.508 50 0 biogenic IHAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)NCc3ccco3)c(=O)c2cc1OCC ZINC000003010243 562931650 /nfs/dbraw/zinc/93/16/50/562931650.db2.gz XJISZBPPVAIJJM-UHFFFAOYSA-N -1 0 431.514 3.546 50 0 IHAARM C[C@H](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000016842851 563021016 /nfs/dbraw/zinc/02/10/16/563021016.db2.gz GVSOIVKMMKVGQB-SFHVURJKSA-N -1 0 439.581 3.906 50 0 IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C(=O)[O-])C(C)C)OC1(CCCCC1)CC3 ZINC000025077075 568634851 /nfs/dbraw/zinc/63/48/51/568634851.db2.gz XXDQWHTWMFHMTN-JOCHJYFZSA-N -1 0 441.524 3.897 50 0 IHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000000907740 568636453 /nfs/dbraw/zinc/63/64/53/568636453.db2.gz DRPOVSPJJKXTFA-HXUWFJFHSA-N -1 0 426.469 3.645 50 0 IHAARM O=C1N[C@H](c2ccc(Br)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000000968813 568647193 /nfs/dbraw/zinc/64/71/93/568647193.db2.gz CELBTHLFXVNITK-JMSVASOKSA-N -1 0 449.248 3.615 50 0 IHAARM COC(=O)c1c(SCC(=O)Nc2cc(C)ccc2OC)[n-]c2ccc(C)cc2c1=O ZINC000015731522 568814916 /nfs/dbraw/zinc/81/49/16/568814916.db2.gz FXDXFVMUHCKBAX-UHFFFAOYSA-N -1 0 426.494 3.671 50 0 IHAARM COc1ccc(Cl)cc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000015781967 568826200 /nfs/dbraw/zinc/82/62/00/568826200.db2.gz ICLHELQYQJWCIP-MRXNPFEDSA-N -1 0 434.876 3.972 50 0 IHAARM O=C(NCc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006147058 568846271 /nfs/dbraw/zinc/84/62/71/568846271.db2.gz NJRJVRAGGNVKEC-UHFFFAOYSA-N -1 0 435.427 3.831 50 0 IHAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2ON1c1ccccc1 ZINC000245311958 568914422 /nfs/dbraw/zinc/91/44/22/568914422.db2.gz QWLMNNQHHRXDKQ-NJYVYQBISA-N -1 0 432.407 3.575 50 0 IHAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O ZINC000016534171 568920620 /nfs/dbraw/zinc/92/06/20/568920620.db2.gz XBUPPFSFHMZYCU-NVMNQCDNSA-N -1 0 444.825 3.911 50 0 IHAARM COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000064799199 568960765 /nfs/dbraw/zinc/96/07/65/568960765.db2.gz TVDIQHHXQANWOZ-INIZCTEOSA-N -1 0 443.502 3.762 50 0 IHAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4cccs4)CC3)c2c1 ZINC000036359856 569086559 /nfs/dbraw/zinc/08/65/59/569086559.db2.gz KOQPIBHUQDXZDN-OAQYLSRUSA-N -1 0 440.569 3.767 50 0 IHAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2oc1C(=O)N1CCOCC1 ZINC000065010878 569088424 /nfs/dbraw/zinc/08/84/24/569088424.db2.gz QIKUIPGWEJIFAY-UHFFFAOYSA-N -1 0 442.537 3.940 50 0 IHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137455 569110345 /nfs/dbraw/zinc/11/03/45/569110345.db2.gz HKKKBPFIHYKFBR-UHFFFAOYSA-N -1 0 444.582 3.802 50 0 IHAARM CC(C)c1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)s1 ZINC000065184052 569113940 /nfs/dbraw/zinc/11/39/40/569113940.db2.gz SWICDYUKGUKGIL-UHFFFAOYSA-N -1 0 449.602 3.675 50 0 IHAARM NC(=O)c1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000170591233 569140809 /nfs/dbraw/zinc/14/08/09/569140809.db2.gz DMVVHUFTAURPHM-UHFFFAOYSA-N -1 0 443.569 3.898 50 0 IHAARM CCOC(=O)c1c(-c2cccs2)csc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000170609217 569144619 /nfs/dbraw/zinc/14/46/19/569144619.db2.gz FJUMTRCCCCFWBO-UHFFFAOYSA-N -1 0 431.948 3.841 50 0 IHAARM Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)CCC(=O)[O-])cc3)C2=O)cc1C ZINC000013578831 569156005 /nfs/dbraw/zinc/15/60/05/569156005.db2.gz OQUCRYBCYKXOKZ-SFHVURJKSA-N -1 0 426.494 3.531 50 0 IHAARM COc1ccccc1NC(=O)CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000016848478 569164189 /nfs/dbraw/zinc/16/41/89/569164189.db2.gz KWEOJHINVLNFGY-UHFFFAOYSA-N -1 0 435.502 3.663 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCCC3=CCCCC3)cs2)cc1 ZINC000016848563 569164366 /nfs/dbraw/zinc/16/43/66/569164366.db2.gz FOXPUAJFPPLRGE-UHFFFAOYSA-N -1 0 449.598 3.892 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCc4ccccc43)cs2)cc1 ZINC000016848664 569164419 /nfs/dbraw/zinc/16/44/19/569164419.db2.gz WIMUEBHUSZYPHB-UHFFFAOYSA-N -1 0 427.551 3.774 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c1 ZINC000016944953 569166965 /nfs/dbraw/zinc/16/69/65/569166965.db2.gz IWBRXAXKQUWSLL-UHFFFAOYSA-N -1 0 442.493 3.691 50 0 IHAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144213 569174638 /nfs/dbraw/zinc/17/46/38/569174638.db2.gz JCKYSIBHMXJEEI-RWSFTLGLSA-N -1 0 437.363 3.766 50 0 IHAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc12)CCCC3 ZINC000002153866 569187478 /nfs/dbraw/zinc/18/74/78/569187478.db2.gz ZVSFTACDUBMBQQ-FQEVSTJZSA-N -1 0 425.481 3.803 50 0 biogenic IHAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccccc2SC)nc1C(F)(F)F ZINC000253428137 569267517 /nfs/dbraw/zinc/26/75/17/569267517.db2.gz HYRDUPPZYCUZCQ-UHFFFAOYSA-N -1 0 426.463 3.861 50 0 IHAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000253402986 569289022 /nfs/dbraw/zinc/28/90/22/569289022.db2.gz GVIAIERXTZLYCE-FQEVSTJZSA-N -1 0 436.899 3.874 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N4CCC[C@@H](C)C4)c3=O)c2c1 ZINC000020331600 569360906 /nfs/dbraw/zinc/36/09/06/569360906.db2.gz KUIIUGWHCGOQOL-CQSZACIVSA-N -1 0 428.558 3.978 50 0 IHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(Br)cc2)c1 ZINC000096361131 569397627 /nfs/dbraw/zinc/39/76/27/569397627.db2.gz HDFAFHWGEWAVGD-UHFFFAOYSA-N -1 0 449.330 3.842 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000096361168 569397634 /nfs/dbraw/zinc/39/76/34/569397634.db2.gz SMYBFYMXZULQMM-UHFFFAOYSA-N -1 0 428.514 3.985 50 0 IHAARM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000028250262 569409416 /nfs/dbraw/zinc/40/94/16/569409416.db2.gz PESHOJHMKJKQON-UHFFFAOYSA-N -1 0 428.841 3.531 50 0 IHAARM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)NCCC1=CCCCC1 ZINC000003346598 569447149 /nfs/dbraw/zinc/44/71/49/569447149.db2.gz WXUOMXRITXQRGT-UHFFFAOYSA-N -1 0 448.566 3.712 50 0 IHAARM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000003440887 569451190 /nfs/dbraw/zinc/45/11/90/569451190.db2.gz MKBZUYHLMKVKQO-UHFFFAOYSA-N -1 0 437.370 3.825 50 0 IHAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1cncc(Br)c1 ZINC000008660833 569469713 /nfs/dbraw/zinc/46/97/13/569469713.db2.gz YBAYXKQHCCVCAB-UHFFFAOYSA-N -1 0 439.244 3.744 50 0 IHAARM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000008756848 569474145 /nfs/dbraw/zinc/47/41/45/569474145.db2.gz VAVDIVFEGZVGCT-ZDUSSCGKSA-N -1 0 432.502 3.536 50 0 IHAARM Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc(=O)c2c1 ZINC000008845856 569478925 /nfs/dbraw/zinc/47/89/25/569478925.db2.gz IOSKRQZEXUECTM-UHFFFAOYSA-N -1 0 441.490 3.611 50 0 IHAARM O=C([O-])C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000008867268 569480282 /nfs/dbraw/zinc/48/02/82/569480282.db2.gz XLCBOTQHSAUUQI-IBGZPJMESA-N -1 0 442.899 3.829 50 0 IHAARM O=C([O-])c1ccc(OS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000008882403 569482951 /nfs/dbraw/zinc/48/29/51/569482951.db2.gz JLURQXHQJDCKOU-UHFFFAOYSA-N -1 0 436.077 3.678 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3nc(C)cs3)ccc2OC)cc1 ZINC000040150871 569493255 /nfs/dbraw/zinc/49/32/55/569493255.db2.gz WLRPKCZKZPXZOD-UHFFFAOYSA-N -1 0 433.511 3.522 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(-c2cc(C)cc(C)c2)c1=O ZINC000009041474 569497624 /nfs/dbraw/zinc/49/76/24/569497624.db2.gz JLGWGMFMZNVPJY-JOCHJYFZSA-N -1 0 430.508 3.709 50 0 biogenic IHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F ZINC000040283326 569497813 /nfs/dbraw/zinc/49/78/13/569497813.db2.gz KKXGEQBJMLSPLA-ICSRJNTNSA-N -1 0 442.878 3.555 50 0 IHAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(-c2ccc(C)cc2C)c1=O ZINC000009046250 569498259 /nfs/dbraw/zinc/49/82/59/569498259.db2.gz PPRKKUAVUTWWDK-QFIPXVFZSA-N -1 0 430.508 3.709 50 0 biogenic IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1nc2ccccc2[nH]1 ZINC000009421421 569532783 /nfs/dbraw/zinc/53/27/83/569532783.db2.gz NOMWRALTHVODDM-UHFFFAOYSA-N -1 0 447.929 3.655 50 0 IHAARM CN(C)C(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009468101 569538509 /nfs/dbraw/zinc/53/85/09/569538509.db2.gz HDWOQQCNXOFTKL-UHFFFAOYSA-N -1 0 447.520 3.876 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c1C ZINC000009600855 569551525 /nfs/dbraw/zinc/55/15/25/569551525.db2.gz UVHLWPLRLNCKKQ-UHFFFAOYSA-N -1 0 435.889 3.763 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)on1 ZINC000009637564 569554770 /nfs/dbraw/zinc/55/47/70/569554770.db2.gz AHJYUMOKMJFKSB-UHFFFAOYSA-N -1 0 430.482 3.945 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C(C)=O)cc3)c2)on1 ZINC000009637493 569554808 /nfs/dbraw/zinc/55/48/08/569554808.db2.gz ADRLBTWURBIRKF-UHFFFAOYSA-N -1 0 444.465 3.530 50 0 IHAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000009641199 569555642 /nfs/dbraw/zinc/55/56/42/569555642.db2.gz XEGSTXRFXRPDJJ-INIZCTEOSA-N -1 0 449.532 3.863 50 0 IHAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000009761999 569566468 /nfs/dbraw/zinc/56/64/68/569566468.db2.gz HYDPCRKNXOVDKD-UHFFFAOYSA-N -1 0 433.408 3.687 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000008551816 574412896 /nfs/dbraw/zinc/41/28/96/574412896.db2.gz WVULKSPCQVQLCU-PGXJZTHPSA-N -1 0 449.632 3.594 50 0 endogenous,in-man IHAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)c1 ZINC000006141468 193881465 /nfs/dbraw/zinc/88/14/65/193881465.db2.gz BADFKMASZGUKLB-WOJBJXKFSA-N -1 0 430.526 3.934 50 0 IHAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146415 193883786 /nfs/dbraw/zinc/88/37/86/193883786.db2.gz LDGOYSFIFNNDKO-UHFFFAOYSA-N -1 0 428.485 3.608 50 0 IHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(F)c2)cc1 ZINC000012734600 519731951 /nfs/dbraw/zinc/73/19/51/519731951.db2.gz AAJCORKAIAZHBW-UHFFFAOYSA-N -1 0 427.457 3.837 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000035377918 519750133 /nfs/dbraw/zinc/75/01/33/519750133.db2.gz FTUVRCRAURVDCY-CQSZACIVSA-N -1 0 437.525 3.939 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)cc1 ZINC000032951077 521130046 /nfs/dbraw/zinc/13/00/46/521130046.db2.gz VQVQXTYLBALNPV-UHFFFAOYSA-N -1 0 434.905 3.823 50 0 IHAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2C)[n-]c1=O ZINC000021882748 521202791 /nfs/dbraw/zinc/20/27/91/521202791.db2.gz UNLWGVZHJPQVKN-UHFFFAOYSA-N -1 0 437.525 3.940 50 0 IHAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCc2ccccn2)cc1 ZINC000016097382 521213862 /nfs/dbraw/zinc/21/38/62/521213862.db2.gz WKVARYJBMMKCRQ-UHFFFAOYSA-N -1 0 449.536 3.879 50 0 IHAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000035397231 521376491 /nfs/dbraw/zinc/37/64/91/521376491.db2.gz IRSRTKCVJJZUJG-UHFFFAOYSA-N -1 0 425.510 3.916 50 0 IHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)c1 ZINC000020580716 521545324 /nfs/dbraw/zinc/54/53/24/521545324.db2.gz GTGVBBQPSAZSOY-UHFFFAOYSA-N -1 0 430.482 3.945 50 0 IHAARM CCc1nc2sc([C@H](c3ccccc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854687 522537560 /nfs/dbraw/zinc/53/75/60/522537560.db2.gz WSHGICQRJHTJQN-NRFANRHFSA-N -1 0 433.581 3.966 50 0 IHAARM CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022854435 522537667 /nfs/dbraw/zinc/53/76/67/522537667.db2.gz KNSWAFAFYBIXOM-HNNXBMFYSA-N -1 0 426.373 3.702 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4cc(C)ccc4n3c2=O)cc1Cl ZINC000021883974 524682521 /nfs/dbraw/zinc/68/25/21/524682521.db2.gz FQTHGXOTCVQBBF-UHFFFAOYSA-N -1 0 449.941 3.989 50 0 IHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(Cl)cc21 ZINC000008592364 534802275 /nfs/dbraw/zinc/80/22/75/534802275.db2.gz AMRVMPYBECACCW-UHFFFAOYSA-N -1 0 434.823 3.905 50 0 IHAARM Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000035397363 524874387 /nfs/dbraw/zinc/87/43/87/524874387.db2.gz DTHTWAJEDFEDFX-UHFFFAOYSA-N -1 0 429.473 3.665 50 0 IHAARM COc1cccc(-c2nc(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)c1 ZINC000020744380 525723079 /nfs/dbraw/zinc/72/30/79/525723079.db2.gz QXZVNRAIXNWVPT-FQEVSTJZSA-N -1 0 435.505 3.655 50 0 IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)OC(C)(C)CC3 ZINC000012896336 525963299 /nfs/dbraw/zinc/96/32/99/525963299.db2.gz QIIKFMIAUASZHX-JOCHJYFZSA-N -1 0 435.476 3.690 50 0 biogenic IHAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1-n1cccc1 ZINC000022240058 526223104 /nfs/dbraw/zinc/22/31/04/526223104.db2.gz XDVYIBUZVQBQLK-UHFFFAOYSA-N -1 0 433.493 3.629 50 0 IHAARM O=C([O-])[C@H](CSCc1ccccc1)NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000012324658 526305069 /nfs/dbraw/zinc/30/50/69/526305069.db2.gz QNBVTHLRPKIEEE-KRWDZBQOSA-N -1 0 447.354 3.907 50 0 IHAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022609743 526331534 /nfs/dbraw/zinc/33/15/34/526331534.db2.gz UMMZRJZBWKPTTE-GOSISDBHSA-N -1 0 427.480 3.686 50 0 IHAARM Cc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)o2)n1 ZINC000035597496 526393938 /nfs/dbraw/zinc/39/39/38/526393938.db2.gz PQBGWEIUQZKHJF-UHFFFAOYSA-N -1 0 447.416 3.996 50 0 IHAARM Cc1noc(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C ZINC000021883442 526488910 /nfs/dbraw/zinc/48/89/10/526488910.db2.gz FYJSEYULGFFHNH-UHFFFAOYSA-N -1 0 443.525 3.778 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000012630986 527256907 /nfs/dbraw/zinc/25/69/07/527256907.db2.gz SFGDUHPBSICNJG-CYBMUJFWSA-N -1 0 449.941 3.787 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1OC(F)F ZINC000012630281 527257817 /nfs/dbraw/zinc/25/78/17/527257817.db2.gz MHZUWIVPQZPLRT-UHFFFAOYSA-N -1 0 425.438 3.798 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Br)o1 ZINC000000668331 555529891 /nfs/dbraw/zinc/52/98/91/555529891.db2.gz NZMUKOZYCRSZOS-UHFFFAOYSA-N -1 0 428.289 3.552 50 0 IHAARM O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000815488 555561864 /nfs/dbraw/zinc/56/18/64/555561864.db2.gz DKVLHFHPCCUXTF-UHFFFAOYSA-N -1 0 425.894 3.918 50 0 IHAARM CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000913101 555582767 /nfs/dbraw/zinc/58/27/67/555582767.db2.gz BXRJPUFWPKJPOD-ZFWWWQNUSA-N -1 0 441.340 3.807 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)no1 ZINC000000945103 555587973 /nfs/dbraw/zinc/58/79/73/555587973.db2.gz NQEFKORPJOIWJS-UHFFFAOYSA-N -1 0 436.287 3.799 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)no1 ZINC000001114462 555633524 /nfs/dbraw/zinc/63/35/24/555633524.db2.gz KTSIJYGYFLFAOE-ZDUSSCGKSA-N -1 0 435.889 3.843 50 0 IHAARM COc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000001148831 555655294 /nfs/dbraw/zinc/65/52/94/555655294.db2.gz KMBGCWFTHOJKHC-UHFFFAOYSA-N -1 0 448.475 3.764 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000001161500 555662111 /nfs/dbraw/zinc/66/21/11/555662111.db2.gz DZEYSVWUHBJJCT-UHFFFAOYSA-N -1 0 432.523 3.605 50 0 IHAARM CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-])sc2c1CCCC2 ZINC000002571222 555787951 /nfs/dbraw/zinc/78/79/51/555787951.db2.gz VAPKHSZRFBSTFD-UHFFFAOYSA-N -1 0 447.353 3.733 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)n1 ZINC000002779480 555819066 /nfs/dbraw/zinc/81/90/66/555819066.db2.gz HXMZZKBKVUTTNA-UHFFFAOYSA-N -1 0 447.314 3.601 50 0 IHAARM CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003103373 555887051 /nfs/dbraw/zinc/88/70/51/555887051.db2.gz RGTJMRHNGKZOLR-IBGZPJMESA-N -1 0 437.443 3.889 50 0 IHAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCCCc1ccccc1 ZINC000034767602 555907150 /nfs/dbraw/zinc/90/71/50/555907150.db2.gz VTLNKSOEFCJFHX-UHFFFAOYSA-N -1 0 430.430 3.945 50 0 IHAARM CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000003635189 555942440 /nfs/dbraw/zinc/94/24/40/555942440.db2.gz PWJQFTBYRJJKDM-FPAXGFGJSA-N -1 0 439.467 3.721 50 0 IHAARM CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000006491952 556091393 /nfs/dbraw/zinc/09/13/93/556091393.db2.gz AORGFGOBXWQWRF-WOJGMQOQSA-N -1 0 441.461 3.563 50 0 IHAARM O=S(=O)([N-]c1nccs1)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000002679561 556118745 /nfs/dbraw/zinc/11/87/45/556118745.db2.gz HTCHXGROXFOVSO-UHFFFAOYSA-N -1 0 445.547 3.898 50 0 IHAARM O=C([O-])CCNC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000008993625 556239273 /nfs/dbraw/zinc/23/92/73/556239273.db2.gz XSXFJBNLABDZAB-UHFFFAOYSA-N -1 0 425.916 3.916 50 0 IHAARM CCOc1cc(C=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000009311505 556279695 /nfs/dbraw/zinc/27/96/95/556279695.db2.gz KUDQZDUAWTWSQI-UHFFFAOYSA-N -1 0 426.206 3.780 50 0 IHAARM C[C@H]1CCCN(Cc2csc(NC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)n2)C1 ZINC000028677834 556458598 /nfs/dbraw/zinc/45/85/98/556458598.db2.gz JYUJOEJSNDPAAV-AWEZNQCLSA-N -1 0 443.598 3.776 50 0 IHAARM C[C@@H]1CCCN(Cc2csc(NC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)n2)C1 ZINC000028677832 556458640 /nfs/dbraw/zinc/45/86/40/556458640.db2.gz JYUJOEJSNDPAAV-CQSZACIVSA-N -1 0 443.598 3.776 50 0 IHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000013124957 556475028 /nfs/dbraw/zinc/47/50/28/556475028.db2.gz YMPISWDOBJPUPL-ONQWYEKWSA-N -1 0 448.906 3.923 50 0 IHAARM COc1ccc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000015026326 556488742 /nfs/dbraw/zinc/48/87/42/556488742.db2.gz NJVAGXTWGNSXQH-UHFFFAOYSA-N -1 0 426.494 3.666 50 0 IHAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1NC(=O)Nc1ccccc1 ZINC000032899952 556531672 /nfs/dbraw/zinc/53/16/72/556531672.db2.gz FFUPMTFAJGHOLJ-UHFFFAOYSA-N -1 0 425.466 3.918 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)ncn1 ZINC000000945490 556573563 /nfs/dbraw/zinc/57/35/63/556573563.db2.gz CMCJAYXOPGYJDV-UHFFFAOYSA-N -1 0 434.477 3.692 50 0 IHAARM O=C([O-])CCCC(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000016551610 556615080 /nfs/dbraw/zinc/61/50/80/556615080.db2.gz DODSWNRVNJFVFN-UHFFFAOYSA-N -1 0 429.325 3.747 50 0 IHAARM Cc1oc(-c2cccs2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000100697371 556650700 /nfs/dbraw/zinc/65/07/00/556650700.db2.gz PNBPRRWJIYYCNL-JKSUJKDBSA-N -1 0 427.873 3.858 50 0 IHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000017094973 556658365 /nfs/dbraw/zinc/65/83/65/556658365.db2.gz NJTLEYCNKYVOGX-JKSUJKDBSA-N -1 0 426.538 3.996 50 0 IHAARM Cc1c([O-])nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n(-c2ccccc2)c1=O ZINC000018007544 556681291 /nfs/dbraw/zinc/68/12/91/556681291.db2.gz BLFQDKOZOKTDKB-UHFFFAOYSA-N -1 0 435.427 3.996 50 0 IHAARM CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238881560 556681999 /nfs/dbraw/zinc/68/19/99/556681999.db2.gz AUOQTWUVJWASOW-ULQDDVLXSA-N -1 0 429.513 3.828 50 0 biogenic IHAARM CCc1ccc(N2[N-]C(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 ZINC000000678214 556682255 /nfs/dbraw/zinc/68/22/55/556682255.db2.gz JCLZLCWJPWYQQZ-QGOAFFKASA-N -1 0 448.500 4.000 50 0 IHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000013696603 556712263 /nfs/dbraw/zinc/71/22/63/556712263.db2.gz NHTPINZVJRCCSA-UHFFFAOYSA-N -1 0 426.494 3.909 50 0 IHAARM Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000079054848 556738085 /nfs/dbraw/zinc/73/80/85/556738085.db2.gz AWJCIZJUKZQQTA-UHFFFAOYSA-N -1 0 426.288 3.606 50 0 IHAARM CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2ccc(C)cc2)C1 ZINC000019641204 556837348 /nfs/dbraw/zinc/83/73/48/556837348.db2.gz MHEFXENMIHPJHC-HNNXBMFYSA-N -1 0 444.553 3.541 50 0 IHAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2sc(NC(=O)c3ccc(C)cc3)nc2c1 ZINC000033116496 556862038 /nfs/dbraw/zinc/86/20/38/556862038.db2.gz QZPHQGNPKNKWQE-UHFFFAOYSA-N -1 0 441.538 3.998 50 0 IHAARM O=C(c1ccc(C(F)(F)F)s1)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097124342 556991011 /nfs/dbraw/zinc/99/10/11/556991011.db2.gz MRHFLJPNTOAXMG-UHFFFAOYSA-N -1 0 444.438 3.968 50 0 IHAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)NCOCc1ccccc1 ZINC000082046921 557056531 /nfs/dbraw/zinc/05/65/31/557056531.db2.gz XWNAJKDUOSYULO-DEOSSOPVSA-N -1 0 446.503 3.742 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)cc1 ZINC000033303162 557083916 /nfs/dbraw/zinc/08/39/16/557083916.db2.gz LBPAIEHUPNKNOS-CSKARUKUSA-N -1 0 433.511 3.983 50 0 IHAARM CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000000814785 557255681 /nfs/dbraw/zinc/25/56/81/557255681.db2.gz XZCAQPURHCYXAC-UHFFFAOYSA-N -1 0 445.497 3.508 50 0 IHAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)cc1 ZINC000101262258 557265461 /nfs/dbraw/zinc/26/54/61/557265461.db2.gz BCFJROIYEYSRMY-PMACEKPBSA-N -1 0 430.468 3.662 50 0 IHAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c(Cl)c1 ZINC000101352881 557274938 /nfs/dbraw/zinc/27/49/38/557274938.db2.gz CZKFXHKVOMZBCH-MSOLQXFVSA-N -1 0 446.294 3.542 50 0 IHAARM CCCCCn1c(=O)c(C(=O)Nc2c(=O)[nH]c3ccccc3c2O)c([O-])c2ccccc21 ZINC000101441906 557285627 /nfs/dbraw/zinc/28/56/27/557285627.db2.gz WIHOBHBNMHZUMO-UHFFFAOYSA-N -1 0 433.464 3.697 50 0 IHAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c(=O)n(C)c1=O ZINC000101494730 557288583 /nfs/dbraw/zinc/28/85/83/557288583.db2.gz OHJASJBQUZDANI-QGZVFWFLSA-N -1 0 427.913 3.801 50 0 IHAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c=2c1=O ZINC000102001404 557311610 /nfs/dbraw/zinc/31/16/10/557311610.db2.gz CJBHGYLPCXQRCN-SJLPKXTDSA-N -1 0 446.294 3.542 50 0 IHAARM CCOC(=O)C(=C(O)CSc1nnc2sc3ccccc3n12)c1nc(C)cs1 ZINC000103034759 557416020 /nfs/dbraw/zinc/41/60/20/557416020.db2.gz PHLMOYVURVJQHY-CQSZACIVSA-N -1 0 432.552 3.717 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1cc(Br)ccc1Br ZINC000028249586 557697574 /nfs/dbraw/zinc/69/75/74/557697574.db2.gz FSQYFWBYPBQMAS-UHFFFAOYSA-N -1 0 431.109 3.889 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1C ZINC000002636140 562929024 /nfs/dbraw/zinc/92/90/24/562929024.db2.gz CJHZAHXBFRCAFO-UHFFFAOYSA-N -1 0 435.527 3.510 50 0 IHAARM CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(=O)[O-])cc1 ZINC000002932569 562930700 /nfs/dbraw/zinc/93/07/00/562930700.db2.gz LYPZQWDBYBCLNO-UHFFFAOYSA-N -1 0 431.539 3.787 50 0 IHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000002949117 562931133 /nfs/dbraw/zinc/93/11/33/562931133.db2.gz YMPISWDOBJPUPL-GYZZIOIESA-N -1 0 448.906 3.923 50 0 IHAARM COc1cc(NC(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)cc(OC)c1OC ZINC000002971801 562931331 /nfs/dbraw/zinc/93/13/31/562931331.db2.gz ZHUWYXRSOFOAKE-UHFFFAOYSA-N -1 0 429.498 3.504 50 0 IHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)c1C ZINC000003947373 562939698 /nfs/dbraw/zinc/93/96/98/562939698.db2.gz KYQMKJBJRXPZHP-UHFFFAOYSA-N -1 0 429.498 3.727 50 0 IHAARM CCOc1cc([C@@H]2[C@H](C(=O)[O-])c3cc(OCC)c(OCC)cc3C(=O)N2C)ccc1O ZINC000004118715 562942202 /nfs/dbraw/zinc/94/22/02/562942202.db2.gz ZWZNGKXDUVATCL-NHCUHLMSSA-N -1 0 429.469 3.583 50 0 IHAARM O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000003417395 568748880 /nfs/dbraw/zinc/74/88/80/568748880.db2.gz FTQSKAXDIPMIAI-UHFFFAOYSA-N -1 0 434.439 3.877 50 0 IHAARM COc1ccccc1NC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000084041182 568790433 /nfs/dbraw/zinc/79/04/33/568790433.db2.gz YKCYTXDOELISPB-UHFFFAOYSA-N -1 0 434.905 3.742 50 0 IHAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@H](C)S4)sc2c1 ZINC000015730295 568813884 /nfs/dbraw/zinc/81/38/84/568813884.db2.gz PTEDQNNAOURGSK-JTQLQIEISA-N -1 0 435.552 3.929 50 0 IHAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064590047 568935203 /nfs/dbraw/zinc/93/52/03/568935203.db2.gz AQJZFQHASFWFTI-UHFFFAOYSA-N -1 0 431.492 3.972 50 0 biogenic IHAARM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000089536637 568936519 /nfs/dbraw/zinc/93/65/19/568936519.db2.gz ZNPSIUBDZIFNRA-UHFFFAOYSA-N -1 0 443.348 3.736 50 0 IHAARM CCc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3NC(C)=O)c(=O)[n-]2)c1 ZINC000064774871 568954057 /nfs/dbraw/zinc/95/40/57/568954057.db2.gz NHYTYKDUQYDOKK-UHFFFAOYSA-N -1 0 437.525 3.804 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)[n-]c1=O ZINC000064774867 568954179 /nfs/dbraw/zinc/95/41/79/568954179.db2.gz IOBPXROAJAECFD-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000064774716 568954214 /nfs/dbraw/zinc/95/42/14/568954214.db2.gz JBBSILDRXKBIMJ-GFCCVEGCSA-N -1 0 441.488 3.851 50 0 IHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000064774513 568954392 /nfs/dbraw/zinc/95/43/92/568954392.db2.gz MJGGNFPIZZQFIA-CQSZACIVSA-N -1 0 437.525 3.939 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc(OC)c1OC ZINC000065009009 569087895 /nfs/dbraw/zinc/08/78/95/569087895.db2.gz INDSBBGWZUHBDR-UHFFFAOYSA-N -1 0 437.543 3.592 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(OC)c2)c1 ZINC000065116096 569107232 /nfs/dbraw/zinc/10/72/32/569107232.db2.gz WATAQWAXBAMLEL-UHFFFAOYSA-N -1 0 445.497 3.680 50 0 IHAARM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000065116402 569107382 /nfs/dbraw/zinc/10/73/82/569107382.db2.gz ITTDKVRLOWIWOT-UHFFFAOYSA-N -1 0 429.498 3.980 50 0 IHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000036569761 569118319 /nfs/dbraw/zinc/11/83/19/569118319.db2.gz RKOAFLBSWRRMHU-GOSISDBHSA-N -1 0 440.297 3.697 50 0 IHAARM O=C([O-])[C@@H](CSCc1ccccc1)NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000036576112 569118518 /nfs/dbraw/zinc/11/85/18/569118518.db2.gz QNBVTHLRPKIEEE-QGZVFWFLSA-N -1 0 447.354 3.907 50 0 IHAARM CCOc1ccccc1-c1noc(-c2c([O-])c3cnn(Cc4ccccc4)c3[nH]c2=O)n1 ZINC000065256925 569123409 /nfs/dbraw/zinc/12/34/09/569123409.db2.gz USRNJLLQZPHBIQ-UHFFFAOYSA-N -1 0 429.436 3.594 50 0 IHAARM O=S(=O)([N-]c1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1cccs1 ZINC000014057801 569157659 /nfs/dbraw/zinc/15/76/59/569157659.db2.gz GZUJLHFEARSQSS-UHFFFAOYSA-N -1 0 434.506 3.716 50 0 IHAARM O=C(Cc1c[nH]c2cccc(Br)c12)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000089774677 569162650 /nfs/dbraw/zinc/16/26/50/569162650.db2.gz ODESDDAASACTME-UHFFFAOYSA-N -1 0 427.707 3.631 50 0 IHAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-])ccc12 ZINC000002097271 569179391 /nfs/dbraw/zinc/17/93/91/569179391.db2.gz IGEMCFUXXCCYPI-YOEHRIQHSA-N -1 0 435.542 3.534 50 0 biogenic IHAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002103142 569179870 /nfs/dbraw/zinc/17/98/70/569179870.db2.gz OHWOKIOERSCYSO-KRWDZBQOSA-N -1 0 431.510 3.720 50 0 biogenic IHAARM CCCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)C(=O)[O-] ZINC000002158714 569187686 /nfs/dbraw/zinc/18/76/86/569187686.db2.gz KZZXHLPUPKWYDO-FQEVSTJZSA-N -1 0 439.464 3.607 50 0 biogenic IHAARM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cnn1-c1cccc(Br)c1 ZINC000170671242 569194748 /nfs/dbraw/zinc/19/47/48/569194748.db2.gz DXBPZEUWLSAKNH-HNNXBMFYSA-N -1 0 434.315 3.951 50 0 IHAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000253429030 569267638 /nfs/dbraw/zinc/26/76/38/569267638.db2.gz GJNCQYGYMJYCAB-JQFCIGGWSA-N -1 0 425.476 3.655 50 0 IHAARM COC(=O)c1[nH]c2ccc(Br)cc2c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002319574 569273546 /nfs/dbraw/zinc/27/35/46/569273546.db2.gz VSPJZSQHLOUMFL-UHFFFAOYSA-N -1 0 427.251 3.657 50 0 IHAARM O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCc1ccco1 ZINC000253470974 569282543 /nfs/dbraw/zinc/28/25/43/569282543.db2.gz JHSXKEGBEJYPMC-KRWDZBQOSA-N -1 0 433.416 3.659 50 0 IHAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cc(Br)ccc1F)N(C)C2=O ZINC000002455983 569311345 /nfs/dbraw/zinc/31/13/45/569311345.db2.gz WYFNGWRKMBANAH-IRXDYDNUSA-N -1 0 438.249 3.601 50 0 IHAARM Cc1nn(C)c(Oc2cccnc2)c1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000079061475 569323892 /nfs/dbraw/zinc/32/38/92/569323892.db2.gz QFODSENCXJMSQK-UHFFFAOYSA-N -1 0 426.420 3.877 50 0 IHAARM CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000096319803 569393944 /nfs/dbraw/zinc/39/39/44/569393944.db2.gz JLZNOXSVPIHHGH-RTBURBONSA-N -1 0 443.866 3.534 50 0 IHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)cc2Br)c1 ZINC000002660475 569415973 /nfs/dbraw/zinc/41/59/73/569415973.db2.gz KSJBKXGEUXHCCK-UHFFFAOYSA-N -1 0 435.093 3.711 50 0 IHAARM Cc1nn(C)c(-c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c1Br ZINC000002731199 569419431 /nfs/dbraw/zinc/41/94/31/569419431.db2.gz MNUUVYPWVJVLQD-UHFFFAOYSA-N -1 0 430.335 3.998 50 0 IHAARM COCCn1c(=O)c2ccc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2[n-]c1=S ZINC000003051704 569439304 /nfs/dbraw/zinc/43/93/04/569439304.db2.gz WFPXOUVGEJUQTC-UHFFFAOYSA-N -1 0 438.336 3.568 50 0 IHAARM CCOC(=O)N[C@]([N-]c1cc(C(F)(F)F)ccc1OC)(C(=O)OCC)C(F)(F)F ZINC000003067641 569439713 /nfs/dbraw/zinc/43/97/13/569439713.db2.gz IUYCYFGMZDAVLD-CQSZACIVSA-N -1 0 432.317 3.694 50 0 IHAARM Cc1ccc(Nc2nnc(SCc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)s2)cc1 ZINC000003325217 569446137 /nfs/dbraw/zinc/44/61/37/569446137.db2.gz AXQDYXQEQOOYLT-UHFFFAOYSA-N -1 0 425.495 3.817 50 0 IHAARM Cc1ccc(N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000008385856 569462678 /nfs/dbraw/zinc/46/26/78/569462678.db2.gz LLJAFPCWUOIYST-UHFFFAOYSA-N -1 0 449.375 3.997 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N(C)CCc2ccccn2)cc1 ZINC000008706611 569470573 /nfs/dbraw/zinc/47/05/73/569470573.db2.gz VQHAOTDFYMJRIV-UHFFFAOYSA-N -1 0 433.537 3.813 50 0 IHAARM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C(F)(F)F)cc1 ZINC000040155819 569493977 /nfs/dbraw/zinc/49/39/77/569493977.db2.gz 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/nfs/dbraw/zinc/18/23/99/556182399.db2.gz CSCJWTPLRMLOBU-MHWRWJLKSA-N -1 0 445.269 3.639 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)n1 ZINC000008722928 556203708 /nfs/dbraw/zinc/20/37/08/556203708.db2.gz UMSVRYJXHODLBM-UHFFFAOYSA-N -1 0 440.525 3.934 50 0 IHAARM O=C(NCc1ccncc1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013731182 556295908 /nfs/dbraw/zinc/29/59/08/556295908.db2.gz LDSIAOJHWSBTOK-UHFFFAOYSA-N -1 0 442.497 3.561 50 0 IHAARM CCOc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)ccc1OCC(=O)[O-] ZINC000009601795 556302637 /nfs/dbraw/zinc/30/26/37/556302637.db2.gz RWEUXLOFZVERJU-IBGZPJMESA-N -1 0 440.481 3.626 50 0 IHAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000011635069 556342675 /nfs/dbraw/zinc/34/26/75/556342675.db2.gz VMEKKOVMEVEEFS-KRWDZBQOSA-N -1 0 434.311 3.577 50 0 IHAARM Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)NCc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000014185488 556385513 /nfs/dbraw/zinc/38/55/13/556385513.db2.gz HPYVXNDFHALAEM-UHFFFAOYSA-N -1 0 432.476 3.665 50 0 IHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1C ZINC000013078967 556455991 /nfs/dbraw/zinc/45/59/91/556455991.db2.gz GBXQKZRADYOBPF-UHFFFAOYSA-N -1 0 440.525 3.787 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1 ZINC000013098219 556459177 /nfs/dbraw/zinc/45/91/77/556459177.db2.gz LKNPHDZYXNCTBX-SJPCQFCGSA-N -1 0 442.537 3.830 50 0 IHAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000015151094 556506489 /nfs/dbraw/zinc/50/64/89/556506489.db2.gz SINFFPJLLNCYFK-SNVBAGLBSA-N -1 0 431.297 3.549 50 0 IHAARM O=C(NCc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(-n2cccc2)cc1 ZINC000072298225 556521496 /nfs/dbraw/zinc/52/14/96/556521496.db2.gz QOAVCOKNYOSIPV-UHFFFAOYSA-N -1 0 438.534 3.665 50 0 IHAARM CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(c3ccc(Br)cc3)=NO2)cc1 ZINC000013591847 556530021 /nfs/dbraw/zinc/53/00/21/556530021.db2.gz MLGROMXPMMOKPF-FQEVSTJZSA-N -1 0 445.269 3.628 50 0 IHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000033274773 556559151 /nfs/dbraw/zinc/55/91/51/556559151.db2.gz NPHCAGAJWUJXDS-UHFFFAOYSA-N -1 0 431.558 3.820 50 0 IHAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCC(C)C)CC2)cc1 ZINC000033274793 556559219 /nfs/dbraw/zinc/55/92/19/556559219.db2.gz UJMZPKNMGZSILD-UHFFFAOYSA-N -1 0 443.569 3.558 50 0 IHAARM Cc1nn(-c2ccccc2)c(C)c1[C@H]([N-]S(=O)(=O)c1cncc(F)c1)C(F)(F)F ZINC000072307502 556562602 /nfs/dbraw/zinc/56/26/02/556562602.db2.gz QUWDCCXDLVRVMP-KRWDZBQOSA-N -1 0 428.411 3.605 50 0 IHAARM Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)n[nH]2)c1 ZINC000032985028 556604528 /nfs/dbraw/zinc/60/45/28/556604528.db2.gz QMFORVPWCABKIK-UHFFFAOYSA-N -1 0 449.330 3.842 50 0 IHAARM CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000016806793 556644469 /nfs/dbraw/zinc/64/44/69/556644469.db2.gz OVOVKQSLEGGQCM-UHFFFAOYSA-N -1 0 430.917 3.951 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1cccs1 ZINC000016956604 556650341 /nfs/dbraw/zinc/65/03/41/556650341.db2.gz JIHIONOEQMGUSX-UHFFFAOYSA-N -1 0 440.506 3.833 50 0 IHAARM COC(=O)[C@@]([N-]c1nc2ccc(F)cc2s1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000017028348 556653569 /nfs/dbraw/zinc/65/35/69/556653569.db2.gz TYLDHSYLWFPOCY-SFHVURJKSA-N -1 0 441.406 3.638 50 0 IHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2cc(C)ccc2NC(C)=O)c(C(=O)[O-])c1 ZINC000033007402 556655591 /nfs/dbraw/zinc/65/55/91/556655591.db2.gz SPQOBSCWLGHCFI-UHFFFAOYSA-N -1 0 433.530 3.689 50 0 IHAARM CSC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000011865648 556665491 /nfs/dbraw/zinc/66/54/91/556665491.db2.gz SJKMGPBQAZRQMI-QGZVFWFLSA-N -1 0 431.510 3.638 50 0 IHAARM O=C1N(CCc2ccccc2)C(c2ccccc2)=N[C@]1([N-]c1ncccn1)C(F)(F)F ZINC000044903814 556679010 /nfs/dbraw/zinc/67/90/10/556679010.db2.gz IWXJNDKGMMYMJD-OAQYLSRUSA-N -1 0 425.414 3.679 50 0 IHAARM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000032937592 556689993 /nfs/dbraw/zinc/68/99/93/556689993.db2.gz MBWMUXLMQJVQSS-UHFFFAOYSA-N -1 0 436.917 3.538 50 0 IHAARM COc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000137713122 556697945 /nfs/dbraw/zinc/69/79/45/556697945.db2.gz JHOANXJVAKMHAI-YTFSRNRJSA-N -1 0 430.460 3.755 50 0 IHAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc(OC)c1O ZINC000061720154 556727185 /nfs/dbraw/zinc/72/71/85/556727185.db2.gz VBYXUWBRQQCFGV-GFCCVEGCSA-N -1 0 426.400 3.512 50 0 IHAARM O=c1[n-]c(CNc2ccc(Br)cc2)nn1Cc1cccc(OC(F)(F)F)c1 ZINC000061720361 556727751 /nfs/dbraw/zinc/72/77/51/556727751.db2.gz LMSADXPYCMBFDR-UHFFFAOYSA-N -1 0 443.223 3.893 50 0 IHAARM Cc1ccccc1OCC(=O)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097942004 556812818 /nfs/dbraw/zinc/81/28/18/556812818.db2.gz YUONBJAOMSFXLT-UHFFFAOYSA-N -1 0 448.910 3.615 50 0 IHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000019635563 556834833 /nfs/dbraw/zinc/83/48/33/556834833.db2.gz ZRECDLNKLLGIDF-UHFFFAOYSA-N -1 0 442.404 3.927 50 0 IHAARM Cc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000096602238 556837752 /nfs/dbraw/zinc/83/77/52/556837752.db2.gz JERLGVRJPLLDHC-UHFFFAOYSA-N -1 0 446.326 3.740 50 0 IHAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1 ZINC000033078526 556853385 /nfs/dbraw/zinc/85/33/85/556853385.db2.gz BVOHEJNHIHLLIH-UHFFFAOYSA-N -1 0 431.876 3.569 50 0 IHAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCS4)sc2c1 ZINC000032943677 557021128 /nfs/dbraw/zinc/02/11/28/557021128.db2.gz ZIBCOHDVEQOCGG-UHFFFAOYSA-N -1 0 435.552 3.564 50 0 IHAARM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000033299054 557075383 /nfs/dbraw/zinc/07/53/83/557075383.db2.gz SBSDYTOAEWAIGL-UHFFFAOYSA-N -1 0 432.495 3.559 50 0 IHAARM O=C([O-])c1cccc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc21 ZINC000585141348 557085000 /nfs/dbraw/zinc/08/50/00/557085000.db2.gz TVJPOHSEGKNADC-JVPBZIDWSA-N -1 0 425.510 3.956 50 0 IHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)cc1 ZINC000023370977 557088413 /nfs/dbraw/zinc/08/84/13/557088413.db2.gz GCVHEIJXMXZNSV-UHFFFAOYSA-N -1 0 440.525 3.649 50 0 IHAARM O=C(CCn1c(=S)[n-]c2ccccc2c1=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011363234 557113601 /nfs/dbraw/zinc/11/36/01/557113601.db2.gz QCKOXBLLDGQKMM-UHFFFAOYSA-N -1 0 434.477 3.933 50 0 IHAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000000627356 557122314 /nfs/dbraw/zinc/12/23/14/557122314.db2.gz KYFPEIQDXBUNJO-RTWAWAEBSA-N -1 0 449.551 3.787 50 0 IHAARM O=C(Nc1cccc(F)c1)c1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000024755905 557134356 /nfs/dbraw/zinc/13/43/56/557134356.db2.gz JSUHYCDMMTYNRL-UHFFFAOYSA-N -1 0 438.436 3.985 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)ncn1 ZINC000000689015 557136157 /nfs/dbraw/zinc/13/61/57/557136157.db2.gz QWQKZWFWRCFYAO-UHFFFAOYSA-N -1 0 433.877 3.583 50 0 IHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000025185125 557199335 /nfs/dbraw/zinc/19/93/35/557199335.db2.gz FWMBGTDTZQRUNY-DYESRHJHSA-N -1 0 446.290 3.864 50 0 IHAARM Cc1nc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)[nH]c(=O)c1Cc1ccccc1Cl ZINC000018191180 557246255 /nfs/dbraw/zinc/24/62/55/557246255.db2.gz YTTMNNBZWNJHOK-UHFFFAOYSA-N -1 0 443.912 3.752 50 0 IHAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)cc5)c(=O)c3=4)c(C)o2)cc1 ZINC000101111200 557255947 /nfs/dbraw/zinc/25/59/47/557255947.db2.gz RIFHDKUMBFHCJL-VQTJNVASSA-N -1 0 449.442 3.681 50 0 IHAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1Br ZINC000101167764 557258318 /nfs/dbraw/zinc/25/83/18/557258318.db2.gz UWXWQNWZHUYTQM-HZPDHXFCSA-N -1 0 449.692 3.605 50 0 IHAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccccc3OC)C2)c([O-])[nH]c1=S ZINC000101495640 557289028 /nfs/dbraw/zinc/28/90/28/557289028.db2.gz ZLURRQWQQKGBKE-OAHLLOKOSA-N -1 0 430.530 3.508 50 0 IHAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1cccc(Cl)c1 ZINC000101803574 557299235 /nfs/dbraw/zinc/29/92/35/557299235.db2.gz VWOXAJIWBMHOTR-UHFFFAOYSA-N -1 0 437.887 3.625 50 0 IHAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000101802428 557299276 /nfs/dbraw/zinc/29/92/76/557299276.db2.gz MORVMOJASLJHAU-UHFFFAOYSA-N -1 0 437.887 3.625 50 0 IHAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(OC)c3)cnn21 ZINC000101836567 557302947 /nfs/dbraw/zinc/30/29/47/557302947.db2.gz LBYXSXGITZFFCF-IBGZPJMESA-N -1 0 434.452 3.526 50 0 IHAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3OC)cnn21 ZINC000101836455 557302962 /nfs/dbraw/zinc/30/29/62/557302962.db2.gz ITTLXXKCPMEYKZ-SFHVURJKSA-N -1 0 434.452 3.526 50 0 IHAARM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000102288362 557317448 /nfs/dbraw/zinc/31/74/48/557317448.db2.gz GLOIPCDJICTQRU-CALCHBBNSA-N -1 0 447.944 3.519 50 0 IHAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc(Br)c2F)cc1 ZINC000225386966 557717342 /nfs/dbraw/zinc/71/73/42/557717342.db2.gz ALFSXIDJHYCOKA-UHFFFAOYSA-N -1 0 434.670 3.563 50 0 IHAARM COc1cc(Br)cc(S(=O)(=O)[N-]c2nnc(-c3ccc(C)c(F)c3)o2)c1 ZINC000225694772 557765114 /nfs/dbraw/zinc/76/51/14/557765114.db2.gz LIABQGRIZNDHHJ-UHFFFAOYSA-N -1 0 442.266 3.756 50 0 IHAARM Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1C ZINC000001786422 562924635 /nfs/dbraw/zinc/92/46/35/562924635.db2.gz JVUDUKQZHQJVMH-UHFFFAOYSA-N -1 0 440.525 3.692 50 0 IHAARM Cc1c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002104679 562925823 /nfs/dbraw/zinc/92/58/23/562925823.db2.gz JUZNJLMPVMZQFK-VFNWGFHPSA-N -1 0 435.476 3.690 50 0 biogenic IHAARM O=C([O-])CCCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000002932561 562930699 /nfs/dbraw/zinc/93/06/99/562930699.db2.gz USULVIXOVLCVMZ-UHFFFAOYSA-N -1 0 449.529 3.973 50 0 IHAARM CCN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000003630296 562936975 /nfs/dbraw/zinc/93/69/75/562936975.db2.gz MHROQXDHTNUODM-UHFFFAOYSA-N -1 0 446.370 3.978 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)no1 ZINC000006142772 562946333 /nfs/dbraw/zinc/94/63/33/562946333.db2.gz UTSZWNHJYWXBEE-CYBMUJFWSA-N -1 0 435.889 3.843 50 0 IHAARM Cc1c(C)c2c(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008877085 562965557 /nfs/dbraw/zinc/96/55/57/562965557.db2.gz MPCYARBWROXLLB-INIZCTEOSA-N -1 0 445.512 3.508 50 0 biogenic IHAARM CC(C)CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000001294437 568778604 /nfs/dbraw/zinc/77/86/04/568778604.db2.gz RKXVSPPXCOYQSI-UHFFFAOYSA-N -1 0 428.543 3.893 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)cc1Cl ZINC000083962600 568787341 /nfs/dbraw/zinc/78/73/41/568787341.db2.gz YGIQAOTZSKEYES-UHFFFAOYSA-N -1 0 428.297 3.997 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cnn(COc3ccc(F)cc3Cl)c2)cc1OC ZINC000032501701 568811731 /nfs/dbraw/zinc/81/17/31/568811731.db2.gz URELTEUTQAHACF-UHFFFAOYSA-N -1 0 441.868 3.530 50 0 IHAARM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(CC)s3)cc21 ZINC000015781405 568825801 /nfs/dbraw/zinc/82/58/01/568825801.db2.gz MTASHFRATXBWCJ-UHFFFAOYSA-N -1 0 428.601 3.604 50 0 IHAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C(=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000245311387 568914468 /nfs/dbraw/zinc/91/44/68/568914468.db2.gz OQASDXQACGOCDP-YPAWHYETSA-N -1 0 428.444 3.744 50 0 IHAARM COc1cccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000089469966 568926561 /nfs/dbraw/zinc/92/65/61/568926561.db2.gz DGGOLUQNDAJPDG-UHFFFAOYSA-N -1 0 426.494 3.686 50 0 IHAARM COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064557864 568932143 /nfs/dbraw/zinc/93/21/43/568932143.db2.gz OAYYWQHJBWSTGS-FQEVSTJZSA-N -1 0 449.484 3.805 50 0 IHAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)c(C)s1 ZINC000089582492 568938355 /nfs/dbraw/zinc/93/83/55/568938355.db2.gz DYMFRZIWAMUSBM-TVQRCGJNSA-N -1 0 435.449 3.837 50 0 IHAARM CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2NC(C)=O)c(=O)[n-]1 ZINC000064774868 568954110 /nfs/dbraw/zinc/95/41/10/568954110.db2.gz SABHUFOFEUWVRU-UHFFFAOYSA-N -1 0 437.525 3.804 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cc(F)cc(F)c2)[n-]c1=O ZINC000064774842 568954130 /nfs/dbraw/zinc/95/41/30/568954130.db2.gz AAPUHGZOWVTNFV-UHFFFAOYSA-N -1 0 445.451 3.520 50 0 IHAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)[n-]c1=O ZINC000064774870 568954163 /nfs/dbraw/zinc/95/41/63/568954163.db2.gz UQYPEQMIYBMGOA-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2C)[n-]c1=O ZINC000064774477 568954377 /nfs/dbraw/zinc/95/43/77/568954377.db2.gz GFJDUQOPGGMQLJ-UHFFFAOYSA-N -1 0 437.525 3.859 50 0 IHAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2F)[n-]c1=O ZINC000064774920 568954388 /nfs/dbraw/zinc/95/43/88/568954388.db2.gz BEOBVCKCJKOCDO-UHFFFAOYSA-N -1 0 441.488 3.771 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1Cl ZINC000064919805 568985250 /nfs/dbraw/zinc/98/52/50/568985250.db2.gz QVEZQQJKUDZULN-UHFFFAOYSA-N -1 0 428.963 3.766 50 0 IHAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCC(Cc3ccccc3)CC1)cn2CC(=O)[O-] ZINC000036357877 569084842 /nfs/dbraw/zinc/08/48/42/569084842.db2.gz FHYLDQBNRPHBAU-DEOSSOPVSA-N -1 0 436.508 3.815 50 0 IHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137391 569110399 /nfs/dbraw/zinc/11/03/99/569110399.db2.gz IBGSONKYRAXVMK-UHFFFAOYSA-N -1 0 448.545 3.633 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1Cl ZINC000065196236 569115698 /nfs/dbraw/zinc/11/56/98/569115698.db2.gz HGFHAPKNQRVTJY-UHFFFAOYSA-N -1 0 426.947 3.506 50 0 IHAARM COc1cccc(-n2c3nc(SCC(=O)NC4CCCC4)[n-]c(=O)c3sc2=S)c1 ZINC000016840424 569163147 /nfs/dbraw/zinc/16/31/47/569163147.db2.gz WIFKJNOBNOKCJH-UHFFFAOYSA-N -1 0 448.595 3.664 50 0 IHAARM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)n[nH]1 ZINC000016843208 569163631 /nfs/dbraw/zinc/16/36/31/569163631.db2.gz MTWNIDCXOINRKF-UHFFFAOYSA-N -1 0 435.303 3.534 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCc4ccccc4C3)cs2)cc1 ZINC000016848644 569164387 /nfs/dbraw/zinc/16/43/87/569164387.db2.gz ADFPZBKCEMKBSV-UHFFFAOYSA-N -1 0 441.578 3.770 50 0 IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CC(C)C)C(=O)[O-])oc1c3CCCC1 ZINC000002103623 569180153 /nfs/dbraw/zinc/18/01/53/569180153.db2.gz HVDUNLFCBBPVDC-SFHVURJKSA-N -1 0 425.481 3.884 50 0 biogenic IHAARM CCC[C@H](NC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)C(=O)[O-] ZINC000002113861 569182226 /nfs/dbraw/zinc/18/22/26/569182226.db2.gz AZBXUQJVCALLEO-IBGZPJMESA-N -1 0 439.464 3.525 50 0 biogenic IHAARM COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCCCCC(=O)[O-])ccc32)cc1 ZINC000002117460 569182538 /nfs/dbraw/zinc/18/25/38/569182538.db2.gz VOPHQRJNZXHSTM-UHFFFAOYSA-N -1 0 439.464 3.609 50 0 biogenic IHAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000010273599 569217181 /nfs/dbraw/zinc/21/71/81/569217181.db2.gz AUCZVAMQLCTTNC-MSOLQXFVSA-N -1 0 439.834 3.936 50 0 IHAARM COc1ccc([C@H](CC(=O)NCCc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470800 569282451 /nfs/dbraw/zinc/28/24/51/569282451.db2.gz FFZVLKHBNLCLGY-FQEVSTJZSA-N -1 0 425.456 3.682 50 0 IHAARM COc1cc2c(cc1OC)C1=NC(=O)[C@@H](CC3CCCCC3)N1C(S[C@@H](C)C(=O)[O-])=N2 ZINC000008873478 569291629 /nfs/dbraw/zinc/29/16/29/569291629.db2.gz KYRYBTBAMFNFBZ-BLLLJJGKSA-N -1 0 445.541 3.839 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019834651 569330259 /nfs/dbraw/zinc/33/02/59/569330259.db2.gz VSSZMIJJJHZQHJ-UHFFFAOYSA-N -1 0 449.576 3.801 50 0 IHAARM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)OC)cc1 ZINC000095944149 569375718 /nfs/dbraw/zinc/37/57/18/569375718.db2.gz MXUPADRMGJTCIY-UHFFFAOYSA-N -1 0 425.890 3.803 50 0 IHAARM Cc1cc(Cl)c(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1OCC(=O)[O-] ZINC000095989674 569378163 /nfs/dbraw/zinc/37/81/63/569378163.db2.gz QZJWFLYDMAYMLH-GOSISDBHSA-N -1 0 430.888 3.745 50 0 IHAARM O=C(NCc1ccc(F)c(Cl)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361305 569397728 /nfs/dbraw/zinc/39/77/28/569397728.db2.gz ZDVPBGOLEBBPHU-UHFFFAOYSA-N -1 0 443.287 3.586 50 0 IHAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)c1 ZINC000096809893 569402517 /nfs/dbraw/zinc/40/25/17/569402517.db2.gz FCCYRMKMOAQZQP-OAQYLSRUSA-N -1 0 449.580 3.721 50 0 IHAARM COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002621540 569411101 /nfs/dbraw/zinc/41/11/01/569411101.db2.gz ZDSZHRQZXMIIMK-UHFFFAOYSA-N -1 0 435.864 3.936 50 0 IHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)NCCc3ccccc3)c(=O)c2cc1OCC ZINC000003010319 569435318 /nfs/dbraw/zinc/43/53/18/569435318.db2.gz WVMUIDWMJJEZPQ-UHFFFAOYSA-N -1 0 441.553 3.605 50 0 IHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000003283063 569443940 /nfs/dbraw/zinc/44/39/40/569443940.db2.gz SRLOBIFNTQPRGG-UHFFFAOYSA-N -1 0 434.477 3.945 50 0 IHAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2cccs2)CC1 ZINC000032103143 569460199 /nfs/dbraw/zinc/46/01/99/569460199.db2.gz YDFXSCCQVKGTOK-GOSISDBHSA-N -1 0 434.359 3.935 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)c1 ZINC000008840911 569478391 /nfs/dbraw/zinc/47/83/91/569478391.db2.gz BNGNTOOUBPIAPW-UHFFFAOYSA-N -1 0 432.542 3.830 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)nc(C)n1 ZINC000008861967 569480105 /nfs/dbraw/zinc/48/01/05/569480105.db2.gz NWXOOGFFOKMUPN-UHFFFAOYSA-N -1 0 447.520 3.937 50 0 IHAARM CCOc1ccc(NC(=O)C[C@H](CC2=NCCc3cc(OC)c(OC)cc32)C(=O)[O-])cc1 ZINC000008876204 569481097 /nfs/dbraw/zinc/48/10/97/569481097.db2.gz BUUDZFQRYMVMEN-INIZCTEOSA-N -1 0 440.496 3.567 50 0 biogenic IHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H]1C(=O)[O-])OC1(CCCCC1)CC3 ZINC000008879085 569481313 /nfs/dbraw/zinc/48/13/13/569481313.db2.gz ZEDKADHDPNMBPM-IBGZPJMESA-N -1 0 439.508 3.747 50 0 biogenic IHAARM O=C([O-])C(Cc1ccc([N+](=O)[O-])cc1)(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000039933136 569482061 /nfs/dbraw/zinc/48/20/61/569482061.db2.gz YOKGWJVPAMDFJB-UHFFFAOYSA-N -1 0 449.419 3.542 50 0 IHAARM CS(=O)(=O)[N-]c1nc(CC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cs1 ZINC000040047354 569483694 /nfs/dbraw/zinc/48/36/94/569483694.db2.gz MEVAWVVFRCHHIX-HXUWFJFHSA-N -1 0 443.594 3.938 50 0 IHAARM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2s1 ZINC000040146647 569492259 /nfs/dbraw/zinc/49/22/59/569492259.db2.gz RIHMPPWUOYXDSG-UHFFFAOYSA-N -1 0 435.527 3.853 50 0 IHAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)NCc1c(F)cccc1F ZINC000008978947 569493001 /nfs/dbraw/zinc/49/30/01/569493001.db2.gz OERLREOBNBVYKR-UHFFFAOYSA-N -1 0 437.493 3.769 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2F)c1 ZINC000009120752 569503945 /nfs/dbraw/zinc/50/39/45/569503945.db2.gz GSDOUFDJAJYEFG-UHFFFAOYSA-N -1 0 444.484 3.961 50 0 IHAARM CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C(=O)[O-])cc2)n2ncnc2N1 ZINC000040484474 569506794 /nfs/dbraw/zinc/50/67/94/569506794.db2.gz PEVKRTOEXAEGJI-KRWDZBQOSA-N -1 0 443.385 3.923 50 0 IHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000009349081 569524616 /nfs/dbraw/zinc/52/46/16/569524616.db2.gz URMCCZNTALRXHA-KRWDZBQOSA-N -1 0 441.285 3.868 50 0 IHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1 ZINC000009646350 569556270 /nfs/dbraw/zinc/55/62/70/569556270.db2.gz RMPINAGDBVERAP-UHFFFAOYSA-N -1 0 437.495 3.515 50 0 IHAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccccc1C(F)(F)F ZINC000009761995 569566463 /nfs/dbraw/zinc/56/64/63/569566463.db2.gz WJZUDNKJCAZMDA-UHFFFAOYSA-N -1 0 433.408 3.687 50 0 IHAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCCCc1ccccc1 ZINC000009818700 569569316 /nfs/dbraw/zinc/56/93/16/569569316.db2.gz RGMRVMBAMMCTNS-UHFFFAOYSA-N -1 0 449.985 3.889 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)c(OC)c1 ZINC000009827906 569569726 /nfs/dbraw/zinc/56/97/26/569569726.db2.gz ZWXAFDYSLRDNCL-UHFFFAOYSA-N -1 0 426.450 3.863 50 0 IHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)c1 ZINC000009827892 569569745 /nfs/dbraw/zinc/56/97/45/569569745.db2.gz VSBDRNXQUXBKES-UHFFFAOYSA-N -1 0 426.450 3.863 50 0 IHAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000009963362 569575734 /nfs/dbraw/zinc/57/57/34/569575734.db2.gz VORMTMTYSZURNS-UHFFFAOYSA-N -1 0 437.423 3.527 50 0 IHAARM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000006198749 193892359 /nfs/dbraw/zinc/89/23/59/193892359.db2.gz NNZWJMTXZLOBAE-UHFFFAOYSA-N -1 0 436.917 3.855 50 0 aggregator IHAARM Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000009859157 193910311 /nfs/dbraw/zinc/91/03/11/193910311.db2.gz MZYGDRXEDYOFLY-UHFFFAOYSA-N -1 0 443.550 3.534 50 0 IHAARM Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000000627687 132227942 /nfs/dbraw/zinc/22/79/42/132227942.db2.gz XWZYZGBJFKCHED-UHFFFAOYSA-N -1 0 443.503 3.908 50 0 IHAARM CC(C)(C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000020629148 518772382 /nfs/dbraw/zinc/77/23/82/518772382.db2.gz MFZHCYXAYPZICC-UHFFFAOYSA-N -1 0 443.399 3.933 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C)[n-]c1=O ZINC000035377940 519750183 /nfs/dbraw/zinc/75/01/83/519750183.db2.gz FTLDNZPKPJFZPP-UHFFFAOYSA-N -1 0 443.916 3.895 50 0 IHAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000035377925 519750223 /nfs/dbraw/zinc/75/02/23/519750223.db2.gz OIRYJNBECVLTAA-UHFFFAOYSA-N -1 0 429.889 3.587 50 0 IHAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)[n-]c2=O)cc1 ZINC000012347728 521013646 /nfs/dbraw/zinc/01/36/46/521013646.db2.gz GPJGTMLITBYMHE-UHFFFAOYSA-N -1 0 430.917 3.539 50 0 IHAARM CC1CCN(c2ncc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C(=O)[O-])CC1 ZINC000035397332 521048168 /nfs/dbraw/zinc/04/81/68/521048168.db2.gz AGMRDOOQQQGSPE-UHFFFAOYSA-N -1 0 429.542 3.696 50 0 IHAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)[n-]c1=O ZINC000035378038 521227517 /nfs/dbraw/zinc/22/75/17/521227517.db2.gz DIKLGUCJXUULHF-UHFFFAOYSA-N -1 0 437.525 3.940 50 0 IHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000035397386 521650994 /nfs/dbraw/zinc/65/09/94/521650994.db2.gz XVBYOGCHUONVBJ-UHFFFAOYSA-N -1 0 441.937 3.869 50 0 IHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c(=O)[n-]2)c1 ZINC000034765053 521775129 /nfs/dbraw/zinc/77/51/29/521775129.db2.gz GYEMRUBXALGDPS-KRWDZBQOSA-N -1 0 432.524 3.939 50 0 IHAARM COc1c(F)c(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccco3)c2)c(F)c1F ZINC000012738235 521849878 /nfs/dbraw/zinc/84/98/78/521849878.db2.gz ZFQDGPRCKHVNFZ-UHFFFAOYSA-N -1 0 444.362 3.898 50 0 IHAARM COc1cccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022609914 524106000 /nfs/dbraw/zinc/10/60/00/524106000.db2.gz HZGAWOUTJABEQK-IBGZPJMESA-N -1 0 439.516 3.556 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(F)c3C)c2)cc1OC ZINC000021931862 525090192 /nfs/dbraw/zinc/09/01/92/525090192.db2.gz LNTWNAOPMLFDAH-UHFFFAOYSA-N -1 0 445.472 3.599 50 0 IHAARM COc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccc(F)cc3)c4=O)c2c1 ZINC000012408264 525495493 /nfs/dbraw/zinc/49/54/93/525495493.db2.gz QNPATKBDQPKYEP-UHFFFAOYSA-N -1 0 432.455 3.661 50 0 IHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)n1 ZINC000021786042 525698441 /nfs/dbraw/zinc/69/84/41/525698441.db2.gz LEMDZRARIRUROS-UHFFFAOYSA-N -1 0 441.494 3.555 50 0 IHAARM O=C(CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1)NCCCc1ccccc1 ZINC000020940039 526393842 /nfs/dbraw/zinc/39/38/42/526393842.db2.gz XROVLVWAYHJWCU-UHFFFAOYSA-N -1 0 439.459 3.557 50 0 IHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1)NCc1ccncc1 ZINC000012548506 527237227 /nfs/dbraw/zinc/23/72/27/527237227.db2.gz VLXJFZMZEJRXET-UHFFFAOYSA-N -1 0 433.892 3.534 50 0 IHAARM O=c1nc(CN2CCN(C[C@@H]3CCCO3)CC2)[n-]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000022781638 527496841 /nfs/dbraw/zinc/49/68/41/527496841.db2.gz KATTXRJSMGQPHN-KRWDZBQOSA-N -1 0 444.988 3.602 50 0 IHAARM O=C([O-])COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000012542083 527620617 /nfs/dbraw/zinc/62/06/17/527620617.db2.gz QVCUVPLSNPPECS-HSZRJFAPSA-N -1 0 432.432 3.645 50 0 IHAARM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000000860688 555572011 /nfs/dbraw/zinc/57/20/11/555572011.db2.gz XHYNXSNREBWHIY-UHFFFAOYSA-N -1 0 439.331 3.552 50 0 IHAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000001017207 555602856 /nfs/dbraw/zinc/60/28/56/555602856.db2.gz AAAQITMOTRAMTE-UHFFFAOYSA-N -1 0 426.498 3.545 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)n1 ZINC000001125265 555640235 /nfs/dbraw/zinc/64/02/35/555640235.db2.gz NATWDGHCOAXBLN-UHFFFAOYSA-N -1 0 440.525 3.529 50 0 IHAARM CCOC(=O)c1c(N)nc([N-]c2nc(C)c3cc(OC)ccc3n2)nc1-c1ccccc1 ZINC000001141890 555650698 /nfs/dbraw/zinc/65/06/98/555650698.db2.gz DAAQLDKTWLJNSM-UHFFFAOYSA-N -1 0 430.468 3.906 50 0 IHAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000001146962 555654105 /nfs/dbraw/zinc/65/41/05/555654105.db2.gz JMSNQKGRGDPITO-VGOFMYFVSA-N -1 0 437.677 3.870 50 0 IHAARM C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003914812 555951189 /nfs/dbraw/zinc/95/11/89/555951189.db2.gz GHCZAUBVMUEKKP-GYPHWSFCSA-N -1 0 449.632 3.594 50 0 endogenous,in-man IHAARM Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000006088859 556075969 /nfs/dbraw/zinc/07/59/69/556075969.db2.gz ISGRWLUFUIHWOT-OAHLLOKOSA-N -1 0 431.539 3.967 50 0 IHAARM CCCCc1ccc([N-]S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 ZINC000002701344 556122642 /nfs/dbraw/zinc/12/26/42/556122642.db2.gz NFWDHXXUXJXSAM-UHFFFAOYSA-N -1 0 425.528 3.773 50 0 IHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1 ZINC000008442293 556177367 /nfs/dbraw/zinc/17/73/67/556177367.db2.gz HESKGXGVAYFBGP-UHFFFAOYSA-N -1 0 430.917 3.729 50 0 IHAARM CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000008723367 556204075 /nfs/dbraw/zinc/20/40/75/556204075.db2.gz BREWIGUILFLOSG-AWEZNQCLSA-N -1 0 431.539 3.912 50 0 IHAARM O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000008741780 556207065 /nfs/dbraw/zinc/20/70/65/556207065.db2.gz UIUBIZQIHWQRLB-LALPHHSUSA-N -1 0 438.349 3.871 50 0 IHAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccc(Br)s3)n2)cc1 ZINC000008994312 556239166 /nfs/dbraw/zinc/23/91/66/556239166.db2.gz DCYZLTSBWTZACF-ONEGZZNKSA-N -1 0 437.344 3.854 50 0 IHAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000011635068 556342798 /nfs/dbraw/zinc/34/27/98/556342798.db2.gz VMEKKOVMEVEEFS-QGZVFWFLSA-N -1 0 434.311 3.577 50 0 IHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=S)Nc1ccc(OC)cc1 ZINC000013150242 556492292 /nfs/dbraw/zinc/49/22/92/556492292.db2.gz ZDPZDDRFAYATMK-UHFFFAOYSA-N -1 0 445.360 3.532 50 0 IHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(C2CCCCC2)o1 ZINC000013398361 556504121 /nfs/dbraw/zinc/50/41/21/556504121.db2.gz SBDMFNLBQNDDBF-QGZVFWFLSA-N -1 0 428.514 3.503 50 0 IHAARM Cc1ccc([S@](C)(=O)=NC(=O)[N-]S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000013466124 556507056 /nfs/dbraw/zinc/50/70/56/556507056.db2.gz LNTCBEHKJJTOKR-VWLOTQADSA-N -1 0 437.326 3.792 50 0 IHAARM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)CC1 ZINC000033274558 556558755 /nfs/dbraw/zinc/55/87/55/556558755.db2.gz VXKLSEGKCDBLER-INIZCTEOSA-N -1 0 443.569 3.701 50 0 IHAARM Cc1nn(-c2ccccc2)c(C)c1[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)C(F)(F)F ZINC000072307503 556562539 /nfs/dbraw/zinc/56/25/39/556562539.db2.gz QUWDCCXDLVRVMP-QGZVFWFLSA-N -1 0 428.411 3.605 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)no1 ZINC000016130425 556584846 /nfs/dbraw/zinc/58/48/46/556584846.db2.gz KJRQQSAPVYPOSF-UHFFFAOYSA-N -1 0 449.554 3.818 50 0 IHAARM O=S(=O)([N-]c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccccc1 ZINC000016130958 556584904 /nfs/dbraw/zinc/58/49/04/556584904.db2.gz WZZRBXQJFSDIBF-UHFFFAOYSA-N -1 0 438.914 3.647 50 0 IHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC2CCCCC2)cc1OC ZINC000016680332 556623832 /nfs/dbraw/zinc/62/38/32/556623832.db2.gz BATCGFMMTHPUJL-UHFFFAOYSA-N -1 0 432.542 3.815 50 0 IHAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000016699461 556629436 /nfs/dbraw/zinc/62/94/36/556629436.db2.gz NVCIJFJSQIQODI-UHFFFAOYSA-N -1 0 431.857 3.517 50 0 IHAARM COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000017100257 556665166 /nfs/dbraw/zinc/66/51/66/556665166.db2.gz DAWPUDBSOLAEMD-GHMZBOCLSA-N -1 0 436.511 3.678 50 0 IHAARM NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797480 556689453 /nfs/dbraw/zinc/68/94/53/556689453.db2.gz QSYHSFYHMWCDHV-HNNXBMFYSA-N -1 0 440.452 3.591 50 0 IHAARM O=C([O-])CC1(CNC(=O)Cn2nc(-c3cccc4ccccc43)ccc2=O)CCCCC1 ZINC000061720215 556727460 /nfs/dbraw/zinc/72/74/60/556727460.db2.gz JBYJSQLHIWRLGZ-UHFFFAOYSA-N -1 0 433.508 3.605 50 0 IHAARM COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc1OC ZINC000061721008 556728455 /nfs/dbraw/zinc/72/84/55/556728455.db2.gz CMZWJERSTBYWSL-CYBMUJFWSA-N -1 0 440.427 3.815 50 0 IHAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1F ZINC000003370156 556812120 /nfs/dbraw/zinc/81/21/20/556812120.db2.gz MQUVBURGKXYZGN-UHFFFAOYSA-N -1 0 431.416 3.805 50 0 IHAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C\c1cccc(NC(=O)C(F)(F)F)c1 ZINC000096817110 556846679 /nfs/dbraw/zinc/84/66/79/556846679.db2.gz WMCZXSQQHRQUBW-HJWRWDBZSA-N -1 0 431.370 3.542 50 0 IHAARM CC(C)C(=O)Nc1ccc2nc(N3CCN(c4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260664 556897290 /nfs/dbraw/zinc/89/72/90/556897290.db2.gz QOALEYFKMPVQFT-UHFFFAOYSA-N -1 0 436.487 3.993 50 0 IHAARM Cc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023158275 557032430 /nfs/dbraw/zinc/03/24/30/557032430.db2.gz XHXPYXGGKRCAIJ-QGZVFWFLSA-N -1 0 429.546 3.917 50 0 IHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(Cl)sc1Cl ZINC000023200047 557073014 /nfs/dbraw/zinc/07/30/14/557073014.db2.gz GGVYJKBQECETGU-UHFFFAOYSA-N -1 0 429.310 3.898 50 0 IHAARM O=C(c1csc([N-]c2ncccn2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049032224 557089682 /nfs/dbraw/zinc/08/96/82/557089682.db2.gz WVJZHPKNXXIYHI-UHFFFAOYSA-N -1 0 434.447 3.658 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(CC)cc2)cc1 ZINC000049003385 557091079 /nfs/dbraw/zinc/09/10/79/557091079.db2.gz KBTVPMFLCHDZJT-UHFFFAOYSA-N -1 0 428.514 3.732 50 0 IHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000033326858 557108696 /nfs/dbraw/zinc/10/86/96/557108696.db2.gz YSAVZQPGCBFFOT-UHFFFAOYSA-N -1 0 428.518 3.534 50 0 IHAARM Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)c1 ZINC000000627455 557122378 /nfs/dbraw/zinc/12/23/78/557122378.db2.gz ILQCJXOWVVXPGM-NHCUHLMSSA-N -1 0 447.535 3.563 50 0 IHAARM CCN(CC)C(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 ZINC000017945628 557129944 /nfs/dbraw/zinc/12/99/44/557129944.db2.gz UIUVLIHXEJZEMQ-UHFFFAOYSA-N -1 0 437.565 3.798 50 0 IHAARM O=C1COc2ccc(-c3csc([N-]S(=O)(=O)Cc4ccc(Cl)cc4)n3)cc2N1 ZINC000011639655 557218924 /nfs/dbraw/zinc/21/89/24/557218924.db2.gz FENBHUSFHUWIKP-UHFFFAOYSA-N -1 0 435.914 3.736 50 0 IHAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)n1 ZINC000101262374 557265447 /nfs/dbraw/zinc/26/54/47/557265447.db2.gz AEJGYEDVKNVTJQ-UXHICEINSA-N -1 0 430.468 3.662 50 0 IHAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)n1 ZINC000101262366 557265479 /nfs/dbraw/zinc/26/54/79/557265479.db2.gz AEJGYEDVKNVTJQ-VQTJNVASSA-N -1 0 430.468 3.662 50 0 IHAARM Cc1cccc(CNC(Nc2ccccc2)=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000101382542 557281867 /nfs/dbraw/zinc/28/18/67/557281867.db2.gz BFWNJWLJMGUIJI-FCQUAONHSA-N -1 0 440.503 4.000 50 0 IHAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)N[C@H]4CCCc5ccccc54)c3=O)c2c1 ZINC000101497662 557289469 /nfs/dbraw/zinc/28/94/69/557289469.db2.gz YJSJUZVZJJXHCY-KRWDZBQOSA-N -1 0 434.521 3.743 50 0 IHAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(OC)cc3)cnn21 ZINC000101836528 557302957 /nfs/dbraw/zinc/30/29/57/557302957.db2.gz DEHGWSVBNJHQLP-LJQANCHMSA-N -1 0 434.452 3.526 50 0 IHAARM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)CCC1 ZINC000033277550 557329172 /nfs/dbraw/zinc/32/91/72/557329172.db2.gz VHFHRGLJBFAMOB-UHFFFAOYSA-N -1 0 446.569 3.843 50 0 IHAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000011695890 557393542 /nfs/dbraw/zinc/39/35/42/557393542.db2.gz QNQLTVQEXDCQFI-UHFFFAOYSA-N -1 0 427.551 3.624 50 0 IHAARM CC(C)CNC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000011695889 557393584 /nfs/dbraw/zinc/39/35/84/557393584.db2.gz XBZASADAXBFRNK-UHFFFAOYSA-N -1 0 429.567 3.774 50 0 IHAARM CCCNC(=O)CSc1nc(-c2ccc(C)cc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000011695911 557393611 /nfs/dbraw/zinc/39/36/11/557393611.db2.gz APWHMICYVCVBTN-UHFFFAOYSA-N -1 0 429.567 3.836 50 0 IHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)N[C@@H](C)c1ccccc1)c2=O ZINC000012415909 557835830 /nfs/dbraw/zinc/83/58/30/557835830.db2.gz FPVVXIVAVDDKIO-AWEZNQCLSA-N -1 0 425.510 3.503 50 0 IHAARM COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)s2)c1 ZINC000002239654 562926555 /nfs/dbraw/zinc/92/65/55/562926555.db2.gz MSFIGNAPZMKMQX-UHFFFAOYSA-N -1 0 431.495 3.651 50 0 IHAARM Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)c2ccccc2C(=O)[O-])s1 ZINC000002349628 562927070 /nfs/dbraw/zinc/92/70/70/562927070.db2.gz NMAHAKXBEOXTSJ-UHFFFAOYSA-N -1 0 442.522 3.836 50 0 IHAARM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000003346375 562934590 /nfs/dbraw/zinc/93/45/90/562934590.db2.gz GNFZDYWIAHMXPL-UHFFFAOYSA-N -1 0 437.308 3.765 50 0 IHAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)c1 ZINC000006029242 562945958 /nfs/dbraw/zinc/94/59/58/562945958.db2.gz BADFKMASZGUKLB-VQTJNVASSA-N -1 0 430.526 3.934 50 0 IHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCC(C)CC1 ZINC000008608240 562957418 /nfs/dbraw/zinc/95/74/18/562957418.db2.gz UHPJTLGTRIAGBO-UHFFFAOYSA-N -1 0 433.574 3.632 50 0 IHAARM O=C([O-])c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000009139497 562967765 /nfs/dbraw/zinc/96/77/65/562967765.db2.gz VULWOAVVERFQGE-UHFFFAOYSA-N -1 0 449.463 3.954 50 0 IHAARM C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000084678322 568799860 /nfs/dbraw/zinc/79/98/60/568799860.db2.gz PEZSDRFLJGUZJN-TVQRCGJNSA-N -1 0 435.811 3.812 50 0 IHAARM Cc1nn(-c2nncc(-c3ccc(C)cc3)n2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000015670163 568802197 /nfs/dbraw/zinc/80/21/97/568802197.db2.gz GISHUOHMUNEHCJ-SFHVURJKSA-N -1 0 440.463 3.513 50 0 IHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1 ZINC000085664704 568833768 /nfs/dbraw/zinc/83/37/68/568833768.db2.gz UWMYLIADEKJTPD-UHFFFAOYSA-N -1 0 433.433 3.975 50 0 IHAARM CCn1c(=O)c(C(=O)Nc2ccc(I)cc2)c([O-])c2ccccc21 ZINC000100498495 568838715 /nfs/dbraw/zinc/83/87/15/568838715.db2.gz ZPWGTUXEOPRRHC-UHFFFAOYSA-N -1 0 434.233 3.584 50 0 IHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000100557306 568852480 /nfs/dbraw/zinc/85/24/80/568852480.db2.gz FGUSFVWQNHUXQZ-FUHWJXTLSA-N -1 0 429.270 3.762 50 0 IHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000035829432 568927906 /nfs/dbraw/zinc/92/79/06/568927906.db2.gz MRAINYYRIBKLQX-WQRHYEAKSA-N -1 0 442.397 3.998 50 0 IHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1C ZINC000064565365 568932333 /nfs/dbraw/zinc/93/23/33/568932333.db2.gz LNFSXJRAMZOCQB-ZWKOTPCHSA-N -1 0 436.859 3.500 50 0 IHAARM COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000064580442 568934255 /nfs/dbraw/zinc/93/42/55/568934255.db2.gz RRCHTVGCSGHQDW-UHFFFAOYSA-N -1 0 439.537 3.742 50 0 IHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc(OC)c1OC ZINC000064920234 568985416 /nfs/dbraw/zinc/98/54/16/568985416.db2.gz UCQMRBKFXQEXJX-UHFFFAOYSA-N -1 0 437.499 3.502 50 0 IHAARM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1Cl ZINC000065196287 569115692 /nfs/dbraw/zinc/11/56/92/569115692.db2.gz YBLHFAOKNYSBOA-UHFFFAOYSA-N -1 0 440.974 3.896 50 0 IHAARM O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238882219 569137800 /nfs/dbraw/zinc/13/78/00/569137800.db2.gz CSVNPYRZUMFKON-SAABIXHNSA-N -1 0 435.476 3.846 50 0 biogenic IHAARM CCCc1cc(C(=O)OC)c(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)s1 ZINC000009870452 569149472 /nfs/dbraw/zinc/14/94/72/569149472.db2.gz HDOOPWYBCNJGON-OAHLLOKOSA-N -1 0 433.507 3.610 50 0 IHAARM O=C(Cn1cc(Br)ccc1=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000089765127 569162422 /nfs/dbraw/zinc/16/24/22/569162422.db2.gz REEGNLTUNCKDSM-UHFFFAOYSA-N -1 0 426.481 3.915 50 0 IHAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002123343 569183679 /nfs/dbraw/zinc/18/36/79/569183679.db2.gz JSOUYHCHMXHZSY-KRWDZBQOSA-N -1 0 445.537 3.928 50 0 biogenic IHAARM Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccc(O)c(C(=O)[O-])c5)o4)c(=O)n32)c(C)c1 ZINC000088365232 569250152 /nfs/dbraw/zinc/25/01/52/569250152.db2.gz OMBMHKMLWIDTMY-GRSHGNNSSA-N -1 0 432.457 3.738 50 0 IHAARM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000328594194 569317635 /nfs/dbraw/zinc/31/76/35/569317635.db2.gz YGBKTIHATPTOFQ-UHFFFAOYSA-N -1 0 425.454 3.578 50 0 IHAARM O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)N(Cc1ccncc1)C1CC1 ZINC000079015073 569322012 /nfs/dbraw/zinc/32/20/12/569322012.db2.gz ZFURYAYVLZHRHI-UHFFFAOYSA-N -1 0 429.527 3.535 50 0 IHAARM Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)s1 ZINC000019636168 569324390 /nfs/dbraw/zinc/32/43/90/569324390.db2.gz MNHFKVMKXGDERD-NSHDSACASA-N -1 0 442.522 3.916 50 0 IHAARM Cc1c([N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)[nH]nc1-c1ccncc1 ZINC000095976384 569377672 /nfs/dbraw/zinc/37/76/72/569377672.db2.gz GWXVURHTIHCZLF-UHFFFAOYSA-N -1 0 428.905 3.728 50 0 IHAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000096361169 569397573 /nfs/dbraw/zinc/39/75/73/569397573.db2.gz WAWHDSMKMRMFOV-UHFFFAOYSA-N -1 0 428.514 3.985 50 0 IHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)nc(C)n1 ZINC000003287908 569444168 /nfs/dbraw/zinc/44/41/68/569444168.db2.gz TVZROZFJDVGOCR-UHFFFAOYSA-N -1 0 433.493 3.695 50 0 IHAARM COc1ccc(-c2nnc(SCC(=O)NCc3ccc(C(=O)[O-])cc3)n2C(C)C)cc1 ZINC000003342512 569446982 /nfs/dbraw/zinc/44/69/82/569446982.db2.gz BARVYWZBKSFKJO-UHFFFAOYSA-N -1 0 440.525 3.641 50 0 IHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Oc2ncccn2)c1 ZINC000032091248 569459593 /nfs/dbraw/zinc/45/95/93/569459593.db2.gz CXUZHZYLRCTOAT-UHFFFAOYSA-N -1 0 436.287 3.841 50 0 IHAARM O=C(NC1=NCCS1)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000039975843 569482168 /nfs/dbraw/zinc/48/21/68/569482168.db2.gz VPAZPDDZTWNXJD-UHFFFAOYSA-N -1 0 430.338 3.627 50 0 IHAARM O=C(c1ccccc1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2C1 ZINC000008977482 569493066 /nfs/dbraw/zinc/49/30/66/569493066.db2.gz XMNSKXQMYBAVPB-UHFFFAOYSA-N -1 0 428.460 3.964 50 0 IHAARM O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009203237 569511318 /nfs/dbraw/zinc/51/13/18/569511318.db2.gz OGAAXDSQVZHQKK-UHFFFAOYSA-N -1 0 444.896 3.800 50 0 IHAARM COc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000009296028 569520423 /nfs/dbraw/zinc/52/04/23/569520423.db2.gz XCSYVRWVBZPILA-UYRXBGFRSA-N -1 0 427.478 3.828 50 0 IHAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1cccc(Br)c1 ZINC000009300315 569520640 /nfs/dbraw/zinc/52/06/40/569520640.db2.gz DGPYRSKCLWZOHZ-UHFFFAOYSA-N -1 0 447.310 3.808 50 0 IHAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1O ZINC000009303104 569521025 /nfs/dbraw/zinc/52/10/25/569521025.db2.gz ABOYZVUDLVUSGD-FLGOTCTISA-N -1 0 438.461 3.712 50 0 IHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2n[nH]c3ccccc32)ccc1C ZINC000009338189 569523623 /nfs/dbraw/zinc/52/36/23/569523623.db2.gz UZFOOWWNAZLDQU-UHFFFAOYSA-N -1 0 436.493 3.933 50 0 IHAARM O=C([O-])C1(CC(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCCC1 ZINC000009366491 569526301 /nfs/dbraw/zinc/52/63/01/569526301.db2.gz YXMHGZRYNPLCBR-UHFFFAOYSA-N -1 0 434.489 3.990 50 0 IHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000009404849 569529742 /nfs/dbraw/zinc/52/97/42/569529742.db2.gz CVJJSDHFDCPEAZ-UHFFFAOYSA-N -1 0 449.488 3.893 50 0 IHAARM CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)[O-])n(Cc4ccccc4)c(=O)c23)CO1 ZINC000009425432 569533207 /nfs/dbraw/zinc/53/32/07/569533207.db2.gz ACOOOFJFSUVIME-HNNXBMFYSA-N -1 0 430.551 3.780 50 0 IHAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccccc3)Sc3ccccc3N2)C1=O ZINC000009434006 569534696 /nfs/dbraw/zinc/53/46/96/569534696.db2.gz CUOQOUATNOEDKL-QGBVPWCLSA-N -1 0 437.521 3.705 50 0 IHAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)c2)on1 ZINC000009637732 569554845 /nfs/dbraw/zinc/55/48/45/569554845.db2.gz RRZQRDWBQRKXJM-UHFFFAOYSA-N -1 0 444.465 3.530 50 0 IHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)CC)c1 ZINC000009679959 569559896 /nfs/dbraw/zinc/55/98/96/569559896.db2.gz DVMWFOIXLYOUDG-HNNXBMFYSA-N -1 0 432.542 3.972 50 0 IHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCC1 ZINC000009685112 569560657 /nfs/dbraw/zinc/56/06/57/569560657.db2.gz JPBSFTWJGLINGJ-UHFFFAOYSA-N -1 0 439.965 3.731 50 0 IHAARM Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000009689790 569560916 /nfs/dbraw/zinc/56/09/16/569560916.db2.gz KWMKYUGEMKNQDA-UHFFFAOYSA-N -1 0 449.532 3.611 50 0 IHAARM NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000009714695 569562834 /nfs/dbraw/zinc/56/28/34/569562834.db2.gz HTSIWMGSYIDWBN-UHFFFAOYSA-N -1 0 435.461 3.585 50 0 IHAARM [O-]c1c([C@@H](c2cccs2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 ZINC000009808574 569568974 /nfs/dbraw/zinc/56/89/74/569568974.db2.gz KBUYRJOQSMAVKU-OAHLLOKOSA-N -1 0 444.538 3.746 50 0 IHAARM COc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000009828526 569569760 /nfs/dbraw/zinc/56/97/60/569569760.db2.gz MNOVBZIMWJKEJS-UHFFFAOYSA-N -1 0 437.930 3.787 50 0 IHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc2c(c1)OCCCO2 ZINC000009908441 569573233 /nfs/dbraw/zinc/57/32/33/569573233.db2.gz BGCZBMHALSVLPZ-UHFFFAOYSA-N -1 0 439.415 3.853 50 0 IHAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000010034908 569577376 /nfs/dbraw/zinc/57/73/76/569577376.db2.gz KMEZCIXDMABBRO-UHFFFAOYSA-N -1 0 435.299 3.773 50 0 IHAARM