smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)cc1 ZINC000003328747 132263948 /nfs/dbraw/zinc/26/39/48/132263948.db2.gz IXRRMMZBIFMSIR-UHFFFAOYSA-N -1 3 436.533 4.397 50 0 IIAAHM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3cc(C)ccc3C)cc2s1 ZINC000033299075 520545881 /nfs/dbraw/zinc/54/58/81/520545881.db2.gz VQBKTJIFLWTWQU-UHFFFAOYSA-N -1 3 438.596 4.039 50 0 IIAAHM CCOC(=O)[C@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000012368331 521174195 /nfs/dbraw/zinc/17/41/95/521174195.db2.gz KBHCRQNZQKVUJZ-SFHVURJKSA-N -1 3 432.801 4.451 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)cc1 ZINC000033274498 521210082 /nfs/dbraw/zinc/21/00/82/521210082.db2.gz VBDRNFAYHCIUIE-UHFFFAOYSA-N -1 3 430.570 4.080 50 0 IIAAHM CN(Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000022090109 523278335 /nfs/dbraw/zinc/27/83/35/523278335.db2.gz PZNIDOWCQNUSGK-UHFFFAOYSA-N -1 3 437.496 4.194 50 0 IIAAHM CCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN([C@H](C)c2ccccc2)CC3)cc1 ZINC000020467798 523974653 /nfs/dbraw/zinc/97/46/53/523974653.db2.gz SXRMZFHVKYFOMZ-QGZVFWFLSA-N -1 3 448.592 4.182 50 0 IIAAHM COc1cccc2c([C@H](C(=O)[O-])N3CCN(Cc4cccc5ccccc54)CC3)c[nH]c21 ZINC000020723202 524200689 /nfs/dbraw/zinc/20/06/89/524200689.db2.gz PKKYNODIGWCLRK-RUZDIDTESA-N -1 3 429.520 4.273 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCc4sccc4C3)c2)cc1 ZINC000012216181 524688667 /nfs/dbraw/zinc/68/86/67/524688667.db2.gz XZOJVCPPDVAGHZ-UHFFFAOYSA-N -1 3 442.562 4.064 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000035684702 524688893 /nfs/dbraw/zinc/68/88/93/524688893.db2.gz HZMLDTATBXNKBZ-NVNXTCNLSA-N -1 3 448.544 4.094 50 0 IIAAHM CS(=O)(=O)[N-]c1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)ccc1F ZINC000012643578 525214428 /nfs/dbraw/zinc/21/44/28/525214428.db2.gz ARHMFIUYJGIIML-UHFFFAOYSA-N -1 3 437.496 4.458 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1 ZINC000012862385 525302063 /nfs/dbraw/zinc/30/20/63/525302063.db2.gz ISKBARFXXPNWQS-UHFFFAOYSA-N -1 3 430.913 4.467 50 0 IIAAHM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(C)n1C ZINC000021155878 525568893 /nfs/dbraw/zinc/56/88/93/525568893.db2.gz DLYSAMDRNPWYQP-UHFFFAOYSA-N -1 3 441.956 4.107 50 0 IIAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1ccc(Cl)cc1 ZINC000020467737 527057287 /nfs/dbraw/zinc/05/72/87/527057287.db2.gz PGGKLNDDYIXGAP-UHFFFAOYSA-N -1 3 440.956 4.125 50 0 IIAAHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000012630073 527454512 /nfs/dbraw/zinc/45/45/12/527454512.db2.gz FPQUYCUQDPGYCB-INIZCTEOSA-N -1 3 429.851 4.160 50 0 IIAAHM O=C(/C=C/c1nc2ccccc2o1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012507958 527650220 /nfs/dbraw/zinc/65/02/20/527650220.db2.gz OVRJROHIVGLPHZ-BUHFOSPRSA-N -1 3 437.452 4.420 50 0 IIAAHM COCCOC(=O)c1c2c(sc1[N-]C(=O)c1ccc(Br)o1)CCCC2 ZINC000002089775 555741113 /nfs/dbraw/zinc/74/11/13/555741113.db2.gz PGDMSMZRBWIBCB-UHFFFAOYSA-N -1 3 428.304 4.038 50 0 IIAAHM COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002316993 555768265 /nfs/dbraw/zinc/76/82/65/555768265.db2.gz RPZJUBJJBRLVOF-OAQYLSRUSA-N -1 3 432.398 4.431 50 0 IIAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000002871824 555850037 /nfs/dbraw/zinc/85/00/37/555850037.db2.gz ZWDBWMYKSFFRIM-UHFFFAOYSA-N -1 3 434.876 4.297 50 0 IIAAHM CCOC(=O)[C@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003118483 555888792 /nfs/dbraw/zinc/88/87/92/555888792.db2.gz CAVNZAHVEYNHSX-SFHVURJKSA-N -1 3 448.363 4.298 50 0 IIAAHM CCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002905399 556149667 /nfs/dbraw/zinc/14/96/67/556149667.db2.gz XBDIDNJWGRJLHG-CQSZACIVSA-N -1 3 426.797 4.462 50 0 IIAAHM CCOC(=O)N=c1[n-]c(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)s1 ZINC000008715557 556202069 /nfs/dbraw/zinc/20/20/69/556202069.db2.gz OBLAPSROUYNVPO-UHFFFAOYSA-N -1 3 436.493 4.395 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000013804787 556311191 /nfs/dbraw/zinc/31/11/91/556311191.db2.gz PYZFNPKDFMBVOX-PWRODBHTSA-N -1 3 448.862 4.089 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccc1 ZINC000013941782 556338698 /nfs/dbraw/zinc/33/86/98/556338698.db2.gz NQOGONOGCPVVPO-UHFFFAOYSA-N -1 3 444.940 4.144 50 0 IIAAHM C[C@H]1Oc2ccc(NCc3nc(=O)c4c(-c5ccc(F)cc5)csc4[n-]3)cc2NC1=O ZINC000032814872 556400669 /nfs/dbraw/zinc/40/06/69/556400669.db2.gz YYUBZMLLGOKQEN-LLVKDONJSA-N -1 3 436.468 4.122 50 0 IIAAHM O=C(NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c1 ZINC000013063441 556451961 /nfs/dbraw/zinc/45/19/61/556451961.db2.gz VWSTYODSOWJSMF-HXUWFJFHSA-N -1 3 432.973 4.368 50 0 IIAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100799127 556675436 /nfs/dbraw/zinc/67/54/36/556675436.db2.gz OJWSVBCPLATMAB-BDTNDASRSA-N -1 3 434.879 4.400 50 0 IIAAHM O=S(=O)([N-]CCc1ccn(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1Cl ZINC000060357739 556731681 /nfs/dbraw/zinc/73/16/81/556731681.db2.gz SGEKWUVZBRSGHE-UHFFFAOYSA-N -1 3 429.851 4.066 50 0 IIAAHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccn4)c(Cl)c3)ccc2o1 ZINC000058139689 556761171 /nfs/dbraw/zinc/76/11/71/556761171.db2.gz CCYPNECKRWKGNF-UHFFFAOYSA-N -1 3 442.880 4.221 50 0 IIAAHM COc1ccccc1-c1nc(CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)c(C)o1 ZINC000046031447 557024098 /nfs/dbraw/zinc/02/40/98/557024098.db2.gz YZYOKQPVDPVZJJ-UHFFFAOYSA-N -1 3 445.504 4.373 50 0 IIAAHM Cc1nn(-c2ccc(F)cc2)c2c1C(=C([O-])c1ccc(Br)cc1)CC(=O)N2 ZINC000046057653 557029183 /nfs/dbraw/zinc/02/91/83/557029183.db2.gz NGSQCWPIBNPZHB-INIZCTEOSA-N -1 3 428.261 4.391 50 0 IIAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)c1 ZINC000046075607 557032531 /nfs/dbraw/zinc/03/25/31/557032531.db2.gz JOIOBJCNDOGCDV-SFHVURJKSA-N -1 3 448.548 4.052 50 0 IIAAHM C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NC1CCCCC1 ZINC000023055290 557060686 /nfs/dbraw/zinc/06/06/86/557060686.db2.gz MQFSTUGKWHNUMS-LBPRGKRZSA-N -1 3 431.949 4.104 50 0 IIAAHM Cc1ccc(=O)n(C(C(=O)N2CCC(Cc3ccccc3)CC2)=C([O-])c2ccc(F)cc2)c1 ZINC000023170887 557070573 /nfs/dbraw/zinc/07/05/73/557070573.db2.gz JRHIJZHJVYIVLP-RUZDIDTESA-N -1 3 446.522 4.201 50 0 IIAAHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297843 557073524 /nfs/dbraw/zinc/07/35/24/557073524.db2.gz CKAIOLMSJKMRMH-CQSZACIVSA-N -1 3 427.661 4.322 50 0 IIAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccccc2)s1 ZINC000033306574 557085618 /nfs/dbraw/zinc/08/56/18/557085618.db2.gz CBULISUNMZCXSV-PKNBQFBNSA-N -1 3 431.539 4.042 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102727774 557370320 /nfs/dbraw/zinc/37/03/20/557370320.db2.gz GIIMJJMIHWGLSE-XUVXKRRUSA-N -1 3 440.286 4.440 50 0 IIAAHM CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000044922221 557541075 /nfs/dbraw/zinc/54/10/75/557541075.db2.gz HNTKLUWCNLPPQG-UHFFFAOYSA-N -1 3 429.571 4.406 50 0 IIAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)[C@H]3CCOC3)c2)cc1 ZINC000241653387 557846888 /nfs/dbraw/zinc/84/68/88/557846888.db2.gz PURPTRJYBCDXQZ-ICSRJNTNSA-N -1 3 444.597 4.293 50 0 IIAAHM Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc2c(nc(C)[n-]c2=O)n1C ZINC000019625888 560094099 /nfs/dbraw/zinc/09/40/99/560094099.db2.gz DZQHJSGGXCUACQ-UHFFFAOYSA-N -1 3 425.514 4.008 50 0 biogenic,in-vitro IIAAHM Cc1ccc(N(CC(C)C)S(=O)(=O)c2nnc([N-]C(=O)c3cccs3)s2)cc1 ZINC000008588042 562950606 /nfs/dbraw/zinc/95/06/06/562950606.db2.gz VNFPUHGKMOJOKZ-UHFFFAOYSA-N -1 3 436.584 4.012 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCc3ccccc3)c2)cc1 ZINC000003491260 568750183 /nfs/dbraw/zinc/75/01/83/568750183.db2.gz BTMNATBKHBZDOP-UHFFFAOYSA-N -1 3 438.549 4.167 50 0 IIAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc3c(cc2Cl)OCO3)ccc1Cl ZINC000032496282 568811477 /nfs/dbraw/zinc/81/14/77/568811477.db2.gz WOLXLJJZHDJUDL-UHFFFAOYSA-N -1 3 445.324 4.051 50 0 IIAAHM COc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1OC ZINC000089471476 568926588 /nfs/dbraw/zinc/92/65/88/568926588.db2.gz CJSAHXVOLDTLHM-UHFFFAOYSA-N -1 3 446.912 4.410 50 0 IIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3C)cc2)n1 ZINC000064802079 568961674 /nfs/dbraw/zinc/96/16/74/568961674.db2.gz ZDEWLJDYBUFLDN-UHFFFAOYSA-N -1 3 441.557 4.387 50 0 IIAAHM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000065116067 569107246 /nfs/dbraw/zinc/10/72/46/569107246.db2.gz PACXKMJQZIAYMH-UHFFFAOYSA-N -1 3 435.889 4.071 50 0 IIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)cc(-n2ccnc2)n1 ZINC000036705809 569134563 /nfs/dbraw/zinc/13/45/63/569134563.db2.gz SDCPMTCNRONEDR-UHFFFAOYSA-N -1 3 440.916 4.169 50 0 IIAAHM O=S(=O)([N-]CCCCN1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000036700359 569135335 /nfs/dbraw/zinc/13/53/35/569135335.db2.gz WBGZEABEKPQTBZ-LJQANCHMSA-N -1 3 443.396 4.125 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc4nnc(C(F)(F)F)n4n3)cc2)cc1 ZINC000014217021 569158145 /nfs/dbraw/zinc/15/81/45/569158145.db2.gz SYCQSGWSMVZVCY-UHFFFAOYSA-N -1 3 449.414 4.045 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000014399574 569158945 /nfs/dbraw/zinc/15/89/45/569158945.db2.gz HWODTBZAVHXULY-UHFFFAOYSA-N -1 3 430.570 4.293 50 0 IIAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(C2CC2)nc2c1cnn2C1CCCCC1 ZINC000089780564 569162746 /nfs/dbraw/zinc/16/27/46/569162746.db2.gz YVBSBNPVKGJOFZ-UHFFFAOYSA-N -1 3 428.500 4.246 50 0 IIAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(C2CC2)nc2c1cnn2C1CCCCC1 ZINC000089780564 569162748 /nfs/dbraw/zinc/16/27/48/569162748.db2.gz YVBSBNPVKGJOFZ-UHFFFAOYSA-N -1 3 428.500 4.246 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C ZINC000017011361 569170296 /nfs/dbraw/zinc/17/02/96/569170296.db2.gz KGSWODNLUCGLAM-UHFFFAOYSA-N -1 3 442.562 4.459 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1cccc(F)c1 ZINC000017155094 569175030 /nfs/dbraw/zinc/17/50/30/569175030.db2.gz UHBVQXWBSRVYKD-UHFFFAOYSA-N -1 3 429.864 4.044 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(OC)cc4)C(=O)[C@]32C)cc1 ZINC000002360582 569286850 /nfs/dbraw/zinc/28/68/50/569286850.db2.gz ACHWGWKDDQUFBY-FXSPECFOSA-N -1 3 444.487 4.145 50 0 IIAAHM CCOc1ccccc1-c1cc([N-]C(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)on1 ZINC000020380158 569362532 /nfs/dbraw/zinc/36/25/32/569362532.db2.gz FGGGYLYITLOUKX-UHFFFAOYSA-N -1 3 430.464 4.443 50 0 IIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)c(Cl)c2)CCO1 ZINC000096118425 569384464 /nfs/dbraw/zinc/38/44/64/569384464.db2.gz LYHJUYNCHQAVPG-MEDUHNTESA-N -1 3 425.913 4.286 50 0 IIAAHM COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000096335895 569396677 /nfs/dbraw/zinc/39/66/77/569396677.db2.gz CLWCNVJZCRBONP-LJQANCHMSA-N -1 3 444.480 4.480 50 0 IIAAHM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000002484255 569405106 /nfs/dbraw/zinc/40/51/06/569405106.db2.gz BVQBXYQDGODMQG-UHFFFAOYSA-N -1 3 431.510 4.270 50 0 IIAAHM Cc1ccc(C)c(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)c1 ZINC000002718068 569418083 /nfs/dbraw/zinc/41/80/83/569418083.db2.gz VVIZDAVXZORUJY-UHFFFAOYSA-N -1 3 433.537 4.486 50 0 IIAAHM Cc1ccc(OCc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n[n-]2)cc1 ZINC000003290287 569444281 /nfs/dbraw/zinc/44/42/81/569444281.db2.gz ZNIALALDLWLESL-UHFFFAOYSA-N -1 3 438.431 4.322 50 0 IIAAHM CSc1cc(-c2ccccc2)c2c(=O)[n-]c(SCC(=O)NCc3ccccc3)nc2n1 ZINC000031813270 569457769 /nfs/dbraw/zinc/45/77/69/569457769.db2.gz GCHDCPWVJHPTJG-UHFFFAOYSA-N -1 3 448.573 4.116 50 0 IIAAHM O=S(=O)([N-]c1cc2c(cc1Br)OCCO2)c1cccc(Cl)c1Cl ZINC000008826168 569477536 /nfs/dbraw/zinc/47/75/36/569477536.db2.gz XKKXYSSRBMDPGX-UHFFFAOYSA-N -1 3 439.114 4.328 50 0 IIAAHM O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccc2n[n-]nc2c1 ZINC000040046945 569483659 /nfs/dbraw/zinc/48/36/59/569483659.db2.gz JZCQHCGXAZINEQ-UHFFFAOYSA-N -1 3 426.358 4.220 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1C ZINC000008977467 569493034 /nfs/dbraw/zinc/49/30/34/569493034.db2.gz MHMREAMFTMZMOE-UHFFFAOYSA-N -1 3 436.533 4.003 50 0 IIAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCC)C(=O)C(C)(C)CO3)cc1 ZINC000009172205 569509497 /nfs/dbraw/zinc/50/94/97/569509497.db2.gz GJBBHOKXWLLBES-UHFFFAOYSA-N -1 3 446.569 4.438 50 0 IIAAHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3ncc(Cl)c(Cl)c3Cl)sc2c1 ZINC000009245588 569515358 /nfs/dbraw/zinc/51/53/58/569515358.db2.gz WOIJOCZSGRIKBS-UHFFFAOYSA-N -1 3 436.729 4.307 50 0 IIAAHM CC(=O)c1sc2[n-]c(CSc3nnc(C4CC4)n3-c3ccccc3)nc(=O)c2c1C ZINC000009338566 569523640 /nfs/dbraw/zinc/52/36/40/569523640.db2.gz OCOZSOGZUQBUNQ-UHFFFAOYSA-N -1 3 437.550 4.246 50 0 IIAAHM Cc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)c1cccs1 ZINC000009378553 569527669 /nfs/dbraw/zinc/52/76/69/569527669.db2.gz WCLRDYXCBHCVBB-FQEVSTJZSA-N -1 3 439.562 4.420 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccncc1 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GMQDHEBKIUKOGG-UHFFFAOYSA-N -1 3 433.533 4.227 50 0 IIAAHM O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000077200405 569586365 /nfs/dbraw/zinc/58/63/65/569586365.db2.gz DNOCIVDUSHGNCS-ZIAGYGMSSA-N -1 3 432.926 4.379 50 0 IIAAHM O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(c3ccccc3F)CC2)[n-]1 ZINC000009426369 132316698 /nfs/dbraw/zinc/31/66/98/132316698.db2.gz XZJWRBMPCSAGSZ-UHFFFAOYSA-N -1 3 430.936 4.181 50 0 IIAAHM CC(C)CC(=O)Nc1ccc2nc(N3CCN(C4CCCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260695 519606758 /nfs/dbraw/zinc/60/67/58/519606758.db2.gz OYGJEXRHQTUJFT-UHFFFAOYSA-N -1 3 438.572 4.372 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCCOc2cccc(C)c2)S1 ZINC000020896370 519643402 /nfs/dbraw/zinc/64/34/02/519643402.db2.gz NZFGWRHMCGEWNC-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCCCOc2ccc(C)cc2C)S1 ZINC000020896240 519643639 /nfs/dbraw/zinc/64/36/39/519643639.db2.gz GKCZXIOXUULDFZ-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM COCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3cccs3)nc3ccccc32)N1 ZINC000012560423 523072474 /nfs/dbraw/zinc/07/24/74/523072474.db2.gz GBBCXIRKLZCBQF-FQEVSTJZSA-N -1 3 449.454 4.453 50 0 IIAAHM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c(C)cc21 ZINC000008588786 534801954 /nfs/dbraw/zinc/80/19/54/534801954.db2.gz AINBDVBUWIJUPR-UHFFFAOYSA-N -1 3 448.850 4.213 50 0 IIAAHM C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012615463 526177855 /nfs/dbraw/zinc/17/78/55/526177855.db2.gz LZEMJIUGKSHGAR-HNNXBMFYSA-N -1 3 434.521 4.176 50 0 IIAAHM Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c(=O)[n-]1 ZINC000012791865 526710543 /nfs/dbraw/zinc/71/05/43/526710543.db2.gz XFLNAFZIEBGDRT-UHFFFAOYSA-N -1 3 436.459 4.024 50 0 IIAAHM O=c1nc(CN2CCN(Cc3cccs3)CC2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000022787913 527438249 /nfs/dbraw/zinc/43/82/49/527438249.db2.gz UDRFHHRJPXSAAR-UHFFFAOYSA-N -1 3 440.569 4.170 50 0 IIAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccccc3Br)o2)N1 ZINC000000653429 555523758 /nfs/dbraw/zinc/52/37/58/555523758.db2.gz RSPDQXYSEKLWOT-INIZCTEOSA-N -1 3 447.207 4.094 50 0 IIAAHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccccc2Cl)cc(C(=O)OC)c1 ZINC000000663219 555527382 /nfs/dbraw/zinc/52/73/82/555527382.db2.gz RPLUZKVQVMPDLC-UHFFFAOYSA-N -1 3 428.828 4.129 50 0 IIAAHM CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccccc1[O-] ZINC000001075598 555623906 /nfs/dbraw/zinc/62/39/06/555623906.db2.gz YBUJZTABYBQXDI-UHFFFAOYSA-N -1 3 433.331 4.164 50 0 IIAAHM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc21 ZINC000002184860 555755183 /nfs/dbraw/zinc/75/51/83/555755183.db2.gz QMOFRJAKNBEYAW-UHFFFAOYSA-N -1 3 431.510 4.270 50 0 IIAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002316994 555768281 /nfs/dbraw/zinc/76/82/81/555768281.db2.gz RPZJUBJJBRLVOF-NRFANRHFSA-N -1 3 432.398 4.431 50 0 IIAAHM O=C(CF)[N-][C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000002706954 555800747 /nfs/dbraw/zinc/80/07/47/555800747.db2.gz NOBLTMWTVFJPIN-SECBINFHSA-N -1 3 427.543 4.062 50 0 IIAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008384579 556160222 /nfs/dbraw/zinc/16/02/22/556160222.db2.gz IJKODCHCMJFGAX-HDMKZQKVSA-N -1 3 447.240 4.406 50 0 IIAAHM C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028088849 556443631 /nfs/dbraw/zinc/44/36/31/556443631.db2.gz QAHXJWWFKGODDP-LLVKDONJSA-N -1 3 436.522 4.288 50 0 IIAAHM O=c1[n-]c(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nc2c3ccccc3oc21 ZINC000029188614 556469616 /nfs/dbraw/zinc/46/96/16/556469616.db2.gz PNHJATKKPIWAHK-UHFFFAOYSA-N -1 3 443.429 4.208 50 0 IIAAHM CC(C)CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115538 556555501 /nfs/dbraw/zinc/55/55/01/556555501.db2.gz UYSKIPSONGEOLN-UHFFFAOYSA-N -1 3 426.582 4.170 50 0 IIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)cc1 ZINC000015869554 556560301 /nfs/dbraw/zinc/56/03/01/556560301.db2.gz IDVVZZCXLFVYFB-UHFFFAOYSA-N -1 3 438.549 4.381 50 0 IIAAHM CCO[C@@H](CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCCC1 ZINC000072309592 556572210 /nfs/dbraw/zinc/57/22/10/556572210.db2.gz MKEMOAVJCVHOBY-QFIPXVFZSA-N -1 3 448.560 4.342 50 0 IIAAHM O=S(=O)([N-]c1ccc(Br)cc1Br)c1cc(F)cc(F)c1 ZINC000016130738 556584840 /nfs/dbraw/zinc/58/48/40/556584840.db2.gz ZTUPQAKLGQFGNY-UHFFFAOYSA-N -1 3 427.064 4.291 50 0 IIAAHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016588587 556616375 /nfs/dbraw/zinc/61/63/75/556616375.db2.gz YXDLNIJTTKKYQK-UHFFFAOYSA-N -1 3 434.414 4.286 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000017098603 556663209 /nfs/dbraw/zinc/66/32/09/556663209.db2.gz IUCRBKDKMRSVOS-HOTGVXAUSA-N -1 3 433.599 4.456 50 0 IIAAHM Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000058218838 556773253 /nfs/dbraw/zinc/77/32/53/556773253.db2.gz BFWCUYRAIMQWMU-UHFFFAOYSA-N -1 3 433.965 4.049 50 0 IIAAHM Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000058218838 556773255 /nfs/dbraw/zinc/77/32/55/556773255.db2.gz BFWCUYRAIMQWMU-UHFFFAOYSA-N -1 3 433.965 4.049 50 0 IIAAHM CCOc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2C)cc1 ZINC000003428882 556815127 /nfs/dbraw/zinc/81/51/27/556815127.db2.gz IHHRLAIWZTVPBP-UHFFFAOYSA-N -1 3 440.521 4.455 50 0 IIAAHM CCCCN(C)C(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccccc3F)s2)cc1 ZINC000033114321 556861332 /nfs/dbraw/zinc/86/13/32/556861332.db2.gz GMVUYLDZDDBHML-UHFFFAOYSA-N -1 3 442.516 4.381 50 0 IIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000046057740 557029214 /nfs/dbraw/zinc/02/92/14/557029214.db2.gz ZOJREZPXVYRLDV-HNNXBMFYSA-N -1 3 425.872 4.160 50 0 IIAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2C)CC(=O)N3)c1 ZINC000046075511 557032065 /nfs/dbraw/zinc/03/20/65/557032065.db2.gz IFXRHFNEIFFVMH-QGZVFWFLSA-N -1 3 448.548 4.052 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1cccc2ccccc21 ZINC000017200373 557040213 /nfs/dbraw/zinc/04/02/13/557040213.db2.gz WOICGOMHEVXDBY-UHFFFAOYSA-N -1 3 427.489 4.405 50 0 IIAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-][C@H](C)c3ccc(OC)c(OC)c3)s2)n1 ZINC000033310139 557093261 /nfs/dbraw/zinc/09/32/61/557093261.db2.gz MKMAVZCVMXILEE-GFCCVEGCSA-N -1 3 438.596 4.491 50 0 IIAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2)nc(C)n1 ZINC000033326880 557108592 /nfs/dbraw/zinc/10/85/92/557108592.db2.gz QXZDZTFDSAPLMV-UHFFFAOYSA-N -1 3 441.557 4.184 50 0 IIAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cc(C(F)(F)F)ccc1Cl ZINC000010959047 557156954 /nfs/dbraw/zinc/15/69/54/557156954.db2.gz OAHIABZZSKGXES-UHFFFAOYSA-N -1 3 429.851 4.082 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000024882043 557177870 /nfs/dbraw/zinc/17/78/70/557177870.db2.gz BXUAHQPWJNJQEB-UHFFFAOYSA-N -1 3 426.338 4.348 50 0 IIAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4cccc(Cl)c4)c(=O)c2-3)cc1 ZINC000101361453 557276896 /nfs/dbraw/zinc/27/68/96/557276896.db2.gz IPKXEGBMKUGFHF-IFMALSPDSA-N -1 3 431.879 4.131 50 0 IIAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)nc(C)n1 ZINC000033324511 557332937 /nfs/dbraw/zinc/33/29/37/557332937.db2.gz QZFZBPXJXFQLTD-UHFFFAOYSA-N -1 3 429.521 4.315 50 0 IIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c1 ZINC000102720056 557375606 /nfs/dbraw/zinc/37/56/06/557375606.db2.gz WOETXSICZKRVLL-BHIFYINESA-N -1 3 434.879 4.400 50 0 IIAAHM COc1cc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc(OC)c1OC ZINC000102748441 557378905 /nfs/dbraw/zinc/37/89/05/557378905.db2.gz RMCXQTFJWULODM-WLRWDXFRSA-N -1 3 438.440 4.317 50 0 IIAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1ccc(C)cc1C)c1nc(C)cs1 ZINC000103076040 557418477 /nfs/dbraw/zinc/41/84/77/557418477.db2.gz LMYFNLCFWAPBJL-GOSISDBHSA-N -1 3 429.567 4.262 50 0 IIAAHM O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1cccc2c1C(=O)[N-]C2=O ZINC000003357092 557525812 /nfs/dbraw/zinc/52/58/12/557525812.db2.gz LROWSQZBGPYOLP-VAWYXSNFSA-N -1 3 440.484 4.136 50 0 IIAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1csc(-c2cccs2)n1 ZINC000018948579 568629029 /nfs/dbraw/zinc/62/90/29/568629029.db2.gz KEDCHSUALUNTBX-UHFFFAOYSA-N -1 3 439.518 4.343 50 0 IIAAHM Cc1ccn([C@@H](C)c2n[n-]c(=S)n2-c2cnn(Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000002808495 568789592 /nfs/dbraw/zinc/78/95/92/568789592.db2.gz DSIBRURPFIBVMN-LBPRGKRZSA-N -1 3 434.356 4.222 50 0 IIAAHM COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000085875136 568837974 /nfs/dbraw/zinc/83/79/74/568837974.db2.gz UDOMLLANWVXRMU-IBGZPJMESA-N -1 3 442.489 4.047 50 0 biogenic IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3ccccc3Cl)cc2)S1 ZINC000015832890 568842179 /nfs/dbraw/zinc/84/21/79/568842179.db2.gz KQWPYRCPOJBXRU-HXUWFJFHSA-N -1 3 447.944 4.189 50 0 IIAAHM COC(=O)c1nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2c(C)c1-c1ccccc1 ZINC000000644746 568880156 /nfs/dbraw/zinc/88/01/56/568880156.db2.gz YOUVVOSSOTUNDQ-UHFFFAOYSA-N -1 3 436.859 4.184 50 0 IIAAHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000013017245 568901571 /nfs/dbraw/zinc/90/15/71/568901571.db2.gz UDYSGQFHJXQCII-UHFFFAOYSA-N -1 3 429.851 4.082 50 0 IIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2C)c1 ZINC000245312508 568914826 /nfs/dbraw/zinc/91/48/26/568914826.db2.gz VFKCYELEJVTKDB-WXFUMESZSA-N -1 3 428.488 4.363 50 0 IIAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(O)c2)cc1 ZINC000245327765 568915068 /nfs/dbraw/zinc/91/50/68/568915068.db2.gz QQENCQLIBAWUEO-WXFUMESZSA-N -1 3 444.487 4.232 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C)c(Br)cc1Br ZINC000054362965 568940637 /nfs/dbraw/zinc/94/06/37/568940637.db2.gz HOYPAHGNUGQUHX-TVQRCGJNSA-N -1 3 425.186 4.377 50 0 IIAAHM Cc1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(NC(=O)C(C)C)cc43)CC2)c(C)c1 ZINC000036365828 569086993 /nfs/dbraw/zinc/08/69/93/569086993.db2.gz LNUNAQATECPUTG-DEOSSOPVSA-N -1 3 448.567 4.327 50 0 IIAAHM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000065020825 569088655 /nfs/dbraw/zinc/08/86/55/569088655.db2.gz VDIRHRTYUPCNMK-UHFFFAOYSA-N -1 3 441.322 4.033 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)c(C)c1 ZINC000065063492 569097601 /nfs/dbraw/zinc/09/76/01/569097601.db2.gz DOZFAAQOUQRZOH-UHFFFAOYSA-N -1 3 439.537 4.430 50 0 IIAAHM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2C1=O ZINC000065241622 569118859 /nfs/dbraw/zinc/11/88/59/569118859.db2.gz UVYPWZNVXCNLBR-UHFFFAOYSA-N -1 3 445.447 4.323 50 0 IIAAHM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)cc2C1=O ZINC000065241625 569118900 /nfs/dbraw/zinc/11/89/00/569118900.db2.gz IJVAHWJVNAFJEE-UHFFFAOYSA-N -1 3 441.484 4.492 50 0 IIAAHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000170626258 569148641 /nfs/dbraw/zinc/14/86/41/569148641.db2.gz IDHKZHQGLONYHB-QGZVFWFLSA-N -1 3 441.325 4.112 50 0 IIAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014371667 569158815 /nfs/dbraw/zinc/15/88/15/569158815.db2.gz CJWNBFYITICXFG-UHFFFAOYSA-N -1 3 435.349 4.294 50 0 IIAAHM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000017013907 569170884 /nfs/dbraw/zinc/17/08/84/569170884.db2.gz VTQFOMPCUWHFAA-UHFFFAOYSA-N -1 3 427.505 4.069 50 0 IIAAHM COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)c(OC)c1 ZINC000027528023 569263496 /nfs/dbraw/zinc/26/34/96/569263496.db2.gz AVQYTCGAMYSCRB-UHFFFAOYSA-N -1 3 435.867 4.118 50 0 IIAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4cccc(Cl)c4)cc3)nn2)n1 ZINC000013010064 569306748 /nfs/dbraw/zinc/30/67/48/569306748.db2.gz XOGOCHVVQSZMAW-UHFFFAOYSA-N -1 3 440.916 4.169 50 0 IIAAHM CCOc1c(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)nn1CC(C)C ZINC000328594883 569317749 /nfs/dbraw/zinc/31/77/49/569317749.db2.gz FNHBYJRBZIZLQC-UHFFFAOYSA-N -1 3 440.585 4.074 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccccc3)c(Cl)c2)S1 ZINC000020895989 569374952 /nfs/dbraw/zinc/37/49/52/569374952.db2.gz LROCCAKLDYNEGH-FQEVSTJZSA-N -1 3 447.944 4.189 50 0 IIAAHM CC[C@@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000002717837 569417926 /nfs/dbraw/zinc/41/79/26/569417926.db2.gz XVJSXBOTDDMGAA-CQSZACIVSA-N -1 3 431.949 4.058 50 0 IIAAHM Cc1nn([C@@H](C)c2n[n-]c(=S)n2-c2cnn(Cc3ccc(C)cc3)c2)c(C)c1Cl ZINC000002731056 569419376 /nfs/dbraw/zinc/41/93/76/569419376.db2.gz YLPQRNKEAFRJPX-HNNXBMFYSA-N -1 3 427.965 4.185 50 0 IIAAHM CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCc2ccccc2)c1 ZINC000003022702 569436061 /nfs/dbraw/zinc/43/60/61/569436061.db2.gz SVECSALLJVQLLJ-UHFFFAOYSA-N -1 3 426.513 4.161 50 0 IIAAHM O=C(c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1)N1CCCC1 ZINC000003199578 569441614 /nfs/dbraw/zinc/44/16/14/569441614.db2.gz OPAYZTFDRXACBY-UHFFFAOYSA-N -1 3 432.851 4.396 50 0 IIAAHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000008965618 569491486 /nfs/dbraw/zinc/49/14/86/569491486.db2.gz MWWYATVNEQNGCV-LBPRGKRZSA-N -1 3 449.985 4.224 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000009051154 569498650 /nfs/dbraw/zinc/49/86/50/569498650.db2.gz QPHSRQWRHGVVIE-GFCCVEGCSA-N -1 3 425.901 4.294 50 0 IIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(C)c1C ZINC000009165502 569508776 /nfs/dbraw/zinc/50/87/76/569508776.db2.gz IFIQNMDVQBEVOH-UHFFFAOYSA-N -1 3 430.570 4.411 50 0 IIAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)N(CCCO)C3=O)cc1Cl ZINC000009243107 569514781 /nfs/dbraw/zinc/51/47/81/569514781.db2.gz NFJGMKHSRWMFQE-FQEVSTJZSA-N -1 3 432.307 4.325 50 0 IIAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(CCCO)C3=O)cc1Cl ZINC000009243540 569514993 /nfs/dbraw/zinc/51/49/93/569514993.db2.gz RCYUKMWMTXTABU-HXUWFJFHSA-N -1 3 432.307 4.325 50 0 IIAAHM Cc1ccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2cccs2)cc1 ZINC000009262821 569517078 /nfs/dbraw/zinc/51/70/78/569517078.db2.gz ZEONWMIFJDDXOJ-HXUWFJFHSA-N -1 3 439.562 4.420 50 0 IIAAHM Cc1nc2cc(NC(=O)CCC[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2o1 ZINC000009416002 569532268 /nfs/dbraw/zinc/53/22/68/569532268.db2.gz DKBLCSUXRBVRJQ-UHFFFAOYSA-N -1 3 442.324 4.140 50 0 IIAAHM O=c1c2c[n-]nc2nc(SCc2cccc(F)c2)n1-c1ccc(Br)cc1 ZINC000009495587 569541032 /nfs/dbraw/zinc/54/10/32/569541032.db2.gz SFRNALQLTDORTM-UHFFFAOYSA-N -1 3 431.290 4.303 50 0 IIAAHM O=c1c2cn[n-]c2nc(SCc2cccc(F)c2)n1-c1ccc(Br)cc1 ZINC000009495587 569541033 /nfs/dbraw/zinc/54/10/33/569541033.db2.gz SFRNALQLTDORTM-UHFFFAOYSA-N -1 3 431.290 4.303 50 0 IIAAHM COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccccc5[O-])nc4c32)cc1 ZINC000009584067 569549354 /nfs/dbraw/zinc/54/93/54/569549354.db2.gz RVBSTRNRUZXODM-NRFANRHFSA-N -1 3 438.443 4.497 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nc3c(cc(Cl)cc3Cl)[nH]2)cc1 ZINC000009642749 569555856 /nfs/dbraw/zinc/55/58/56/569555856.db2.gz IEYFZTXLMPZGBQ-UHFFFAOYSA-N -1 3 430.338 4.216 50 0 IIAAHM CCOC(=O)c1oc2ccccc2c1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000009644419 569556010 /nfs/dbraw/zinc/55/60/10/569556010.db2.gz CMEHPSHHVARFON-UHFFFAOYSA-N -1 3 446.488 4.324 50 0 IIAAHM CCSc1nnc([N-]C(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)s1 ZINC000077099930 569585297 /nfs/dbraw/zinc/58/52/97/569585297.db2.gz PNWNDOHIUIEZGK-UHFFFAOYSA-N -1 3 440.598 4.152 50 0 IIAAHM CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000976720 132236523 /nfs/dbraw/zinc/23/65/23/132236523.db2.gz KPFJCXNJEVEOEB-OAQYLSRUSA-N -1 3 428.960 4.486 50 0 IIAAHM CC(C)CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274787 519733170 /nfs/dbraw/zinc/73/31/70/519733170.db2.gz ASNJRYROCHAVPG-UHFFFAOYSA-N -1 3 428.598 4.490 50 0 IIAAHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O)c(Cl)cc1Cl ZINC000022063757 521061014 /nfs/dbraw/zinc/06/10/14/521061014.db2.gz JABKNXUIKWARMX-NSHDSACASA-N -1 3 431.341 4.418 50 0 IIAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)c(F)c1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000002306278 521173086 /nfs/dbraw/zinc/17/30/86/521173086.db2.gz HXDIGVDQESJMHY-SFHVURJKSA-N -1 3 432.801 4.451 50 0 IIAAHM CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccc([O-])cc1 ZINC000012549146 521374233 /nfs/dbraw/zinc/37/42/33/521374233.db2.gz YGJMAJCCJGTFTE-UHFFFAOYSA-N -1 3 431.491 4.154 50 0 IIAAHM Cc1ccc(CN2CCc3nc(SCC(=O)Nc4cccc(C)c4)[n-]c(=O)c3C2)cc1 ZINC000020467773 524477179 /nfs/dbraw/zinc/47/71/79/524477179.db2.gz YTGOSHKSXFCZRQ-UHFFFAOYSA-N -1 3 434.565 4.088 50 0 IIAAHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)C[C@H](C)O1 ZINC000012562599 524874553 /nfs/dbraw/zinc/87/45/53/524874553.db2.gz IWJSFSNMTOSQRR-BETUJISGSA-N -1 3 443.352 4.044 50 0 IIAAHM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000014251700 556409303 /nfs/dbraw/zinc/40/93/03/556409303.db2.gz OCRDKABREDCDJB-UHFFFAOYSA-N -1 3 428.529 4.325 50 0 IIAAHM C[C@@H](OC(=O)c1sccc1-c1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032668310 556418219 /nfs/dbraw/zinc/41/82/19/556418219.db2.gz YEVQGVKMQMVBLQ-CQSZACIVSA-N -1 3 429.519 4.215 50 0 IIAAHM C[C@H](Sc1nnc(-c2cccnc2)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028088856 556443683 /nfs/dbraw/zinc/44/36/83/556443683.db2.gz QAHXJWWFKGODDP-NSHDSACASA-N -1 3 436.522 4.288 50 0 IIAAHM COc1ccc(OC)c(-n2c(Cn3c4ccccc4nc3-c3ccccn3)n[n-]c2=S)c1 ZINC000013521091 556512166 /nfs/dbraw/zinc/51/21/66/556512166.db2.gz IAHAPTHQANSBOZ-UHFFFAOYSA-N -1 3 444.520 4.033 50 0 IIAAHM CC1(C)OC(c2cccc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)c2)OC1(C)C ZINC000030947879 556517641 /nfs/dbraw/zinc/51/76/41/556517641.db2.gz VJWWFNIRYJUKJQ-HJPURHCSSA-N -1 3 435.586 4.426 50 0 IIAAHM COc1cccc(-c2cc(C(F)(F)F)nc(N3NC(C4CC4)=C[C@@]3([O-])C(F)(F)F)n2)c1 ZINC000013642953 556542870 /nfs/dbraw/zinc/54/28/70/556542870.db2.gz OXBSWWOEABBPSY-QGZVFWFLSA-N -1 3 446.351 4.398 50 0 IIAAHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000032913161 556587442 /nfs/dbraw/zinc/58/74/42/556587442.db2.gz YTNYFIKGYRPQHJ-UHFFFAOYSA-N -1 3 436.942 4.179 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NCc3cccs3)cc2)cc1 ZINC000017098594 556663329 /nfs/dbraw/zinc/66/33/29/556663329.db2.gz PLHXIINKVKMPLD-UHFFFAOYSA-N -1 3 433.580 4.044 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3n[nH]c4ccccc43)s2)c(C)c1 ZINC000058158866 556763471 /nfs/dbraw/zinc/76/34/71/556763471.db2.gz RLSAKPOMJUDFBV-UHFFFAOYSA-N -1 3 438.538 4.014 50 0 IIAAHM CCc1cc2c([nH]c(=S)n([N-]C(=O)c3cc(Br)ccc3Cl)c2=O)s1 ZINC000019642118 556837929 /nfs/dbraw/zinc/83/79/29/556837929.db2.gz QUDQRQHXZQFZAR-UHFFFAOYSA-N -1 3 444.763 4.483 50 0 IIAAHM CC(C)C[C@@H](C)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078678 556853668 /nfs/dbraw/zinc/85/36/68/556853668.db2.gz FCNDNYLUPPHKGB-QGZVFWFLSA-N -1 3 427.520 4.333 50 0 IIAAHM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1NC(=O)C1CC1 ZINC000033171087 556882068 /nfs/dbraw/zinc/88/20/68/556882068.db2.gz BDPPKDIGQMECMN-JYRVWZFOSA-N -1 3 441.484 4.442 50 0 IIAAHM Cc1cccc(C)c1NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2 ZINC000033331748 557115621 /nfs/dbraw/zinc/11/56/21/557115621.db2.gz FTRCGAFWKHLTFO-UHFFFAOYSA-N -1 3 434.565 4.088 50 0 IIAAHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1F ZINC000025670623 557221324 /nfs/dbraw/zinc/22/13/24/557221324.db2.gz MDGCMWDKBDGRLC-UHFFFAOYSA-N -1 3 437.880 4.077 50 0 IIAAHM Cc1cc(C)c([N-]c2nnc(S[C@H](C)c3nc(N)nc(N(C)C)n3)s2)c(Cl)c1 ZINC000025858015 557228725 /nfs/dbraw/zinc/22/87/25/557228725.db2.gz MCJBKBXCGULFDI-SNVBAGLBSA-N -1 3 436.998 4.238 50 0 IIAAHM O=C([N-]c1ccc(F)cc1F)c1nnc(C2CCN(C(=O)C3CCCCC3)CC2)s1 ZINC000033272990 557328856 /nfs/dbraw/zinc/32/88/56/557328856.db2.gz HLDNRRLGRKKXSU-UHFFFAOYSA-N -1 3 434.512 4.355 50 0 IIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000102704659 557366077 /nfs/dbraw/zinc/36/60/77/557366077.db2.gz FOSNTVDHSDNFAX-YPAWHYETSA-N -1 3 434.879 4.400 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000102760438 557385148 /nfs/dbraw/zinc/38/51/48/557385148.db2.gz GLVBQKOMRGPEFT-XPWALMASSA-N -1 3 432.451 4.276 50 0 IIAAHM CCN1C[C@H](CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)Oc2ccccc21 ZINC000023936611 557387749 /nfs/dbraw/zinc/38/77/49/557387749.db2.gz MZQXTLVMOAASIO-SFHVURJKSA-N -1 3 446.576 4.371 50 0 IIAAHM CCc1cc2c(CNc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)cc(=O)oc2cc1[O-] ZINC000108417615 557542745 /nfs/dbraw/zinc/54/27/45/557542745.db2.gz WQVRIXQCCHGDAY-GASCZTMLSA-N -1 3 426.488 4.426 50 0 IIAAHM O=c1oc2ccccc2c(NCc2ccccc2)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000045962180 557557194 /nfs/dbraw/zinc/55/71/94/557557194.db2.gz ZXFJJKFTOPXYCQ-UHFFFAOYSA-N -1 3 442.443 4.484 50 0 IIAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000229962260 557834388 /nfs/dbraw/zinc/83/43/88/557834388.db2.gz OXYHMUFBTGERQS-RBZQAINGSA-N -1 3 444.487 4.232 50 0 IIAAHM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000014128759 557836593 /nfs/dbraw/zinc/83/65/93/557836593.db2.gz OOUCFCQIQLLUSZ-JTDSTZFVSA-N -1 3 442.890 4.293 50 0 IIAAHM O=C(Nc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ccco1 ZINC000023053399 568615495 /nfs/dbraw/zinc/61/54/95/568615495.db2.gz OAFNZKNGTZEBQY-UHFFFAOYSA-N -1 3 425.293 4.317 50 0 IIAAHM COc1ccc(-n2c(-c3ccc(Cl)cc3)nnc2S(=O)(=O)[N-]C2CCCCC2)cc1 ZINC000000976431 568648042 /nfs/dbraw/zinc/64/80/42/568648042.db2.gz PKURGTGJNKYLGU-UHFFFAOYSA-N -1 3 446.960 4.207 50 0 IIAAHM CCOC(=O)c1[n-]c(COC(=O)c2ccc(OCCC(C)C)cc2)c(C(=O)OCC)c1C ZINC000025387907 568655757 /nfs/dbraw/zinc/65/57/57/568655757.db2.gz QYVYQNPKHKGEHU-UHFFFAOYSA-N -1 3 445.512 4.458 50 0 IIAAHM COc1ccc(NC(=O)C[C@@H](c2cccc3ccccc32)n2cccc2)cc1-c1nnn[n-]1 ZINC000263588212 568760920 /nfs/dbraw/zinc/76/09/20/568760920.db2.gz QKUQYJLOZPGJRR-QFIPXVFZSA-N -1 3 438.491 4.448 50 0 IIAAHM COc1ccc(NC(=O)C[C@@H](c2cccc3ccccc32)n2cccc2)cc1-c1nn[n-]n1 ZINC000263588212 568760923 /nfs/dbraw/zinc/76/09/23/568760923.db2.gz QKUQYJLOZPGJRR-QFIPXVFZSA-N -1 3 438.491 4.448 50 0 IIAAHM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc2S1 ZINC000015730386 568813958 /nfs/dbraw/zinc/81/39/58/568813958.db2.gz WSTMUVSTRUSNPH-VIFPVBQESA-N -1 3 445.335 4.212 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c(C)c1 ZINC000015730524 568814129 /nfs/dbraw/zinc/81/41/29/568814129.db2.gz SSFXOVIJHVNELL-OAHLLOKOSA-N -1 3 433.599 4.465 50 0 IIAAHM CCOc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1 ZINC000015832869 568842250 /nfs/dbraw/zinc/84/22/50/568842250.db2.gz ONHYUPDWNDUQHJ-HXUWFJFHSA-N -1 3 447.944 4.319 50 0 IIAAHM CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012936940 568865991 /nfs/dbraw/zinc/86/59/91/568865991.db2.gz ODNVKHOBFVAONC-UHFFFAOYSA-N -1 3 443.975 4.460 50 0 IIAAHM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc1 ZINC000065063590 569097548 /nfs/dbraw/zinc/09/75/48/569097548.db2.gz MORHKCBLOSMTEB-UHFFFAOYSA-N -1 3 439.537 4.350 50 0 IIAAHM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)nc1 ZINC000065063511 569097584 /nfs/dbraw/zinc/09/75/84/569097584.db2.gz IFBNUFJZHWXRCD-UHFFFAOYSA-N -1 3 425.510 4.041 50 0 IIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C(=O)NC3CC3)cc2)c1 ZINC000065074560 569098974 /nfs/dbraw/zinc/09/89/74/569098974.db2.gz OEHJVSIEDQFEEG-UHFFFAOYSA-N -1 3 437.521 4.184 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cn(CCOc3ccccc3C)c3ccccc23)S1 ZINC000065322493 569136786 /nfs/dbraw/zinc/13/67/86/569136786.db2.gz JYPHGRCECVGHII-QFIPXVFZSA-N -1 3 436.537 4.030 50 0 IIAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2nc4ccccc4s2)[n-]c3=O)cc1 ZINC000002717936 569212779 /nfs/dbraw/zinc/21/27/79/569212779.db2.gz IPSVCUQQOKRUTG-UHFFFAOYSA-N -1 3 448.533 4.170 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@]32C)cc1 ZINC000002360165 569286185 /nfs/dbraw/zinc/28/61/85/569286185.db2.gz MYERLJKKPCTZKL-FXSPECFOSA-N -1 3 428.488 4.445 50 0 IIAAHM CC(C)Oc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000002363663 569287847 /nfs/dbraw/zinc/28/78/47/569287847.db2.gz FWQLBYPFHHUGON-HNAYVOBHSA-N -1 3 431.558 4.281 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000002396436 569298392 /nfs/dbraw/zinc/29/83/92/569298392.db2.gz MYCSDMQSSHIWLC-CMKODMSKSA-N -1 3 440.286 4.440 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000002417954 569301645 /nfs/dbraw/zinc/30/16/45/569301645.db2.gz KUSNJMJTTHZZMZ-NJYVYQBISA-N -1 3 448.862 4.089 50 0 IIAAHM Cc1cc(C)n(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3)nn2)n1 ZINC000013010121 569306713 /nfs/dbraw/zinc/30/67/13/569306713.db2.gz PURRMUMWXARIJL-UHFFFAOYSA-N -1 3 434.525 4.132 50 0 IIAAHM Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)c1 ZINC000013098958 569310045 /nfs/dbraw/zinc/31/00/45/569310045.db2.gz XDHYAPSIADWASG-UHFFFAOYSA-N -1 3 428.485 4.261 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(C)cc3)c(Cl)c2)S1 ZINC000020895903 569374965 /nfs/dbraw/zinc/37/49/65/569374965.db2.gz ZUELRPWJICMQJI-FQEVSTJZSA-N -1 3 447.944 4.107 50 0 IIAAHM CCc1cc(C)cc(OCCOc2ccccc2[C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896068 569375120 /nfs/dbraw/zinc/37/51/20/569375120.db2.gz KBLCQAYKTHTSRR-QFIPXVFZSA-N -1 3 441.553 4.016 50 0 IIAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000096117038 569384003 /nfs/dbraw/zinc/38/40/03/569384003.db2.gz OYPAUCQLPJLRSF-OAHLLOKOSA-N -1 3 440.388 4.194 50 0 IIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(Cl)c2F)CCO1 ZINC000096116906 569384008 /nfs/dbraw/zinc/38/40/08/569384008.db2.gz LIPUFNZYIUXJQN-QLJPJBMISA-N -1 3 425.913 4.286 50 0 IIAAHM O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000096221490 569386896 /nfs/dbraw/zinc/38/68/96/569386896.db2.gz JDSGJOVPCIBIMM-QGZVFWFLSA-N -1 3 428.396 4.335 50 0 biogenic IIAAHM Cc1ccc(OCc2nc(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)n[n-]2)cc1 ZINC000002616563 569410110 /nfs/dbraw/zinc/41/01/10/569410110.db2.gz AKZYPYFYBJDQKL-UHFFFAOYSA-N -1 3 438.340 4.433 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000230028783 569417959 /nfs/dbraw/zinc/41/79/59/569417959.db2.gz AWTVSNZKEXJBJA-RBZQAINGSA-N -1 3 428.488 4.445 50 0 IIAAHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc([O-])cc1 ZINC000003246643 569442755 /nfs/dbraw/zinc/44/27/55/569442755.db2.gz QPEDCYVNAINECV-UHFFFAOYSA-N -1 3 425.462 4.093 50 0 IIAAHM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)c1ccccc1 ZINC000003310605 569445494 /nfs/dbraw/zinc/44/54/94/569445494.db2.gz SNEABGXFJGEZKK-HNNXBMFYSA-N -1 3 427.453 4.055 50 0 IIAAHM COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)cc1O ZINC000217808792 569453528 /nfs/dbraw/zinc/45/35/28/569453528.db2.gz DZMFABCNVCLCEL-KRWDZBQOSA-N -1 3 430.412 4.321 50 0 biogenic IIAAHM Cc1ccccc1OCc1nc(SCC(=O)N(C)Cc2nc3ccccc3s2)n[n-]1 ZINC000008848629 569479213 /nfs/dbraw/zinc/47/92/13/569479213.db2.gz SVFJDELXZCRADL-UHFFFAOYSA-N -1 3 439.566 4.053 50 0 IIAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000008852898 569479481 /nfs/dbraw/zinc/47/94/81/569479481.db2.gz RQLVDVQWZDXSQG-NSHDSACASA-N -1 3 443.891 4.433 50 0 IIAAHM CCCc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2cccs2)cc1 ZINC000040058589 569484676 /nfs/dbraw/zinc/48/46/76/569484676.db2.gz VWAAVSPSRMBCGU-OAQYLSRUSA-N -1 3 449.619 4.172 50 0 IIAAHM CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)c([O-])c(OC)c2)N3)C1 ZINC000008921723 569486885 /nfs/dbraw/zinc/48/68/85/569486885.db2.gz TVQVPOFOHNPKNC-MRXNPFEDSA-N -1 3 437.905 4.059 50 0 IIAAHM O=S(=O)([N-]Cc1ccc(Oc2nccs2)cc1)c1ccc(Br)s1 ZINC000245174524 569497997 /nfs/dbraw/zinc/49/79/97/569497997.db2.gz YQUDPGVGZKDVHU-UHFFFAOYSA-N -1 3 431.358 4.238 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1C ZINC000009172554 569509518 /nfs/dbraw/zinc/50/95/18/569509518.db2.gz WHMXXSWDTNWNBQ-UHFFFAOYSA-N -1 3 446.569 4.212 50 0 IIAAHM CC(C)CCN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009174071 569509653 /nfs/dbraw/zinc/50/96/53/569509653.db2.gz NYMCDSUQNSXEDQ-UHFFFAOYSA-N -1 3 434.533 4.424 50 0 IIAAHM Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000009423595 569532925 /nfs/dbraw/zinc/53/29/25/569532925.db2.gz APQCOEQZTZHHJV-UHFFFAOYSA-N -1 3 435.285 4.215 50 0 IIAAHM COc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)cc1Cl ZINC000009559445 569546958 /nfs/dbraw/zinc/54/69/58/569546958.db2.gz GMNDIZSBHUWRRJ-UHFFFAOYSA-N -1 3 442.990 4.134 50 0 IIAAHM COc1ccccc1-c1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2o1 ZINC000009572636 569547784 /nfs/dbraw/zinc/54/77/84/569547784.db2.gz YDFWJAFXQBEPFL-UHFFFAOYSA-N -1 3 425.437 4.409 50 0 IIAAHM COc1ccccc1NC(=O)[C@@H](C)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009635328 569554637 /nfs/dbraw/zinc/55/46/37/569554637.db2.gz FXEAWOBQWCOFQE-OAHLLOKOSA-N -1 3 443.500 4.074 50 0 IIAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1C ZINC000009707419 569561529 /nfs/dbraw/zinc/56/15/29/569561529.db2.gz LRJICDXUAFSWJO-UHFFFAOYSA-N -1 3 449.532 4.120 50 0 IIAAHM Cc1ccc2nc(NC(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)sc2c1 ZINC000071844662 569582373 /nfs/dbraw/zinc/58/23/73/569582373.db2.gz WSCOJDOJXOSKPS-UHFFFAOYSA-N -1 3 448.533 4.170 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCc3ccccc3)c(Br)c2)S1 ZINC000020895921 519643642 /nfs/dbraw/zinc/64/36/42/519643642.db2.gz NRGBYAAXPHANLN-GOSISDBHSA-N -1 3 448.342 4.029 50 0 IIAAHM CCc1cc(C)cc(OCCOc2ccc([C@H]3SC([N-]C(C)=O)=NN3C(C)=O)cc2)c1 ZINC000020895427 523786338 /nfs/dbraw/zinc/78/63/38/523786338.db2.gz LTONLWKUQHKNSZ-JOCHJYFZSA-N -1 3 441.553 4.016 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3ncccc3[O-])ccc2C)c(C)c1 ZINC000012526015 524325115 /nfs/dbraw/zinc/32/51/15/524325115.db2.gz OOKKOKZMQIKVOP-UHFFFAOYSA-N -1 3 425.510 4.074 50 0 IIAAHM Cc1ccc(F)c([N-]C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000012930181 524824812 /nfs/dbraw/zinc/82/48/12/524824812.db2.gz RPXCGEIVSBZVBW-UHFFFAOYSA-N -1 3 430.526 4.195 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc1C ZINC000020467736 525077941 /nfs/dbraw/zinc/07/79/41/525077941.db2.gz TWKRCDCWEDGUJJ-UHFFFAOYSA-N -1 3 434.565 4.088 50 0 IIAAHM C[C@]1(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)NC(=O)[N-]C1=O ZINC000012872847 525276294 /nfs/dbraw/zinc/27/62/94/525276294.db2.gz UTXVPENHLVBGPM-XMMPIXPASA-N -1 3 447.516 4.421 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NCc1cccs1 ZINC000012750786 526003481 /nfs/dbraw/zinc/00/34/81/526003481.db2.gz XSXWRRVRRCHLSH-LLVKDONJSA-N -1 3 445.957 4.033 50 0 IIAAHM C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NCc1cccs1 ZINC000012750796 526003476 /nfs/dbraw/zinc/00/34/76/526003476.db2.gz XSXWRRVRRCHLSH-NSHDSACASA-N -1 3 445.957 4.033 50 0 IIAAHM O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000016048010 527007336 /nfs/dbraw/zinc/00/73/36/527007336.db2.gz HDACAMQNTJAKNH-UHFFFAOYSA-N -1 3 442.493 4.220 50 0 IIAAHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000012883388 527230041 /nfs/dbraw/zinc/23/00/41/527230041.db2.gz DWDFHQNMVUJGHN-UHFFFAOYSA-N -1 3 429.851 4.082 50 0 IIAAHM Cn1nc(C(F)(F)F)c2cc(C(=O)[N-]c3ncn(Cc4ccc(Cl)cc4)n3)sc21 ZINC000020616183 527549947 /nfs/dbraw/zinc/54/99/47/527549947.db2.gz SAEPGFDIVMIMBT-UHFFFAOYSA-N -1 3 440.838 4.199 50 0 IIAAHM CCSc1nnc2c(n1)OC(=C([O-])c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000000684207 555539252 /nfs/dbraw/zinc/53/92/52/555539252.db2.gz BENGCJLOKDDYFR-SFHVURJKSA-N -1 3 443.326 4.426 50 0 IIAAHM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(CC)cc2)cc(Cl)c1[O-] ZINC000001110200 555631070 /nfs/dbraw/zinc/63/10/70/555631070.db2.gz SWLMGKVHMOQYJS-IBGZPJMESA-N -1 3 429.904 4.273 50 0 IIAAHM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000001113585 555632993 /nfs/dbraw/zinc/63/29/93/555632993.db2.gz LKVJAASHVTYDGY-UHFFFAOYSA-N -1 3 441.509 4.151 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1Cl ZINC000002874479 555851357 /nfs/dbraw/zinc/85/13/57/555851357.db2.gz MCFYXBMNABUHDQ-UHFFFAOYSA-N -1 3 437.686 4.062 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003103369 555886961 /nfs/dbraw/zinc/88/69/61/555886961.db2.gz GAFYOMSHIKXZJT-GOSISDBHSA-N -1 3 432.801 4.072 50 0 IIAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 ZINC000008592910 556189704 /nfs/dbraw/zinc/18/97/04/556189704.db2.gz VDJZJCRBMPUJLC-UHFFFAOYSA-N -1 3 430.482 4.466 50 0 IIAAHM CCOC(=O)N=c1[n-]c(C)c(-c2nc3ccccc3c(=O)n2-c2cccc(OC)c2)s1 ZINC000008715560 556202120 /nfs/dbraw/zinc/20/21/20/556202120.db2.gz RKAGAHSIFRIXSA-UHFFFAOYSA-N -1 3 436.493 4.395 50 0 IIAAHM O=C(COC(=O)c1ccc([N-]S(=O)(=O)C=Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000097664065 556287848 /nfs/dbraw/zinc/28/78/48/556287848.db2.gz ROFRMABRXQEBEO-PFONDFGASA-N -1 3 439.464 4.278 50 0 IIAAHM CCCSc1ncc(Cl)c(C(=O)[N-]c2nc(C)c(C(=O)OCC(C)C)s2)n1 ZINC000009431835 556291139 /nfs/dbraw/zinc/29/11/39/556291139.db2.gz ACKJPGXHJVXHBV-UHFFFAOYSA-N -1 3 428.967 4.462 50 0 IIAAHM COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(I)c1[O-] ZINC000016663055 556621181 /nfs/dbraw/zinc/62/11/81/556621181.db2.gz HZORGDMZKWVWFC-UHFFFAOYSA-N -1 3 437.321 4.460 50 0 IIAAHM CCOC(=O)c1c([N-]C(=O)c2cc3c(nc4ccccn4c3=O)s2)sc(C)c1CC ZINC000033693525 556622583 /nfs/dbraw/zinc/62/25/83/556622583.db2.gz FUMRPTMDLSDXHT-UHFFFAOYSA-N -1 3 441.534 4.271 50 0 IIAAHM COc1cccc(-c2cc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)c3ccccc3n2)c1 ZINC000017096389 556660286 /nfs/dbraw/zinc/66/02/86/556660286.db2.gz AJRYPFRMAPYNAT-OAQYLSRUSA-N -1 3 429.398 4.383 50 0 IIAAHM CCOC(=O)C1=C([O-])CC(Nc2ccc(Br)cn2)=C[C@@H]1c1cccc(OC)c1 ZINC000001079960 556690168 /nfs/dbraw/zinc/69/01/68/556690168.db2.gz XIPYCTKLEHZMCO-YLJYHZDGSA-N -1 3 445.313 4.084 50 0 IIAAHM Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nnc(-c3ccco3)[n-]2)no1 ZINC000033087473 556857508 /nfs/dbraw/zinc/85/75/08/556857508.db2.gz OCKIFDPCEUKVGB-UHFFFAOYSA-N -1 3 444.904 4.273 50 0 IIAAHM Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nc(-c3ccco3)n[n-]2)no1 ZINC000033087473 556857513 /nfs/dbraw/zinc/85/75/13/556857513.db2.gz OCKIFDPCEUKVGB-UHFFFAOYSA-N -1 3 444.904 4.273 50 0 IIAAHM Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2n[n-]c(-c3ccco3)n2)no1 ZINC000033087473 556857518 /nfs/dbraw/zinc/85/75/18/556857518.db2.gz OCKIFDPCEUKVGB-UHFFFAOYSA-N -1 3 444.904 4.273 50 0 IIAAHM Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccco4)[n-]3)no2)cc1Cl ZINC000033087454 556857542 /nfs/dbraw/zinc/85/75/42/556857542.db2.gz ZVROHNSWFCQBIT-UHFFFAOYSA-N -1 3 444.904 4.273 50 0 IIAAHM Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccco4)n[n-]3)no2)cc1Cl ZINC000033087454 556857547 /nfs/dbraw/zinc/85/75/47/556857547.db2.gz ZVROHNSWFCQBIT-UHFFFAOYSA-N -1 3 444.904 4.273 50 0 IIAAHM Cc1ccc(NC(=O)CCc2nc(CSc3n[n-]c(-c4ccco4)n3)no2)cc1Cl ZINC000033087454 556857549 /nfs/dbraw/zinc/85/75/49/556857549.db2.gz ZVROHNSWFCQBIT-UHFFFAOYSA-N -1 3 444.904 4.273 50 0 IIAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000046075617 557032453 /nfs/dbraw/zinc/03/24/53/557032453.db2.gz ZQKDTZYWHMFJJK-GOSISDBHSA-N -1 3 448.548 4.052 50 0 IIAAHM Cc1nc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)cc2[nH]1 ZINC000010896720 557082387 /nfs/dbraw/zinc/08/23/87/557082387.db2.gz JYECEOWMTFJAMM-UHFFFAOYSA-N -1 3 442.447 4.203 50 0 IIAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000033324505 557106305 /nfs/dbraw/zinc/10/63/05/557106305.db2.gz UAKNTXVJSXJTEG-UHFFFAOYSA-N -1 3 429.521 4.315 50 0 IIAAHM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc12 ZINC000024890134 557177344 /nfs/dbraw/zinc/17/73/44/557177344.db2.gz OPBMZHTXYAXDDR-UHFFFAOYSA-N -1 3 444.513 4.158 50 0 IIAAHM CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018143622 557242830 /nfs/dbraw/zinc/24/28/30/557242830.db2.gz HQSPYXVGXOZEBV-ZLNRFVROSA-N -1 3 432.451 4.276 50 0 IIAAHM Cc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1C ZINC000027663785 557269960 /nfs/dbraw/zinc/26/99/60/557269960.db2.gz FIJMFLKBEQOTLU-UHFFFAOYSA-N -1 3 427.507 4.224 50 0 IIAAHM CCc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000101628121 557293030 /nfs/dbraw/zinc/29/30/30/557293030.db2.gz XIDYNBWCYUQVRT-OYRHEFFESA-N -1 3 440.565 4.033 50 0 IIAAHM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000033297860 557330792 /nfs/dbraw/zinc/33/07/92/557330792.db2.gz UJTPWJAMSRUHAS-AUWJEWJLSA-N -1 3 441.509 4.311 50 0 IIAAHM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000226983507 557811530 /nfs/dbraw/zinc/81/15/30/557811530.db2.gz HKVSAYZUUFBPRN-BHDDXSALSA-N -1 3 434.879 4.400 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000006576886 562947327 /nfs/dbraw/zinc/94/73/27/562947327.db2.gz FYHTYUXWMHZIRA-HSALFYBXSA-N -1 3 440.286 4.440 50 0 IIAAHM Cc1cc(Br)c(NC(=O)COC(=O)c2ccc([O-])cc2)c(Br)c1 ZINC000003272428 568744844 /nfs/dbraw/zinc/74/48/44/568744844.db2.gz DIVGNJSBBFLMLR-UHFFFAOYSA-N -1 3 443.091 4.021 50 0 IIAAHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1cc(Cl)ccc1Cl ZINC000003406221 568748736 /nfs/dbraw/zinc/74/87/36/568748736.db2.gz WPLMTEVEXDHMTJ-UHFFFAOYSA-N -1 3 428.124 4.217 50 0 IIAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000084026660 568789910 /nfs/dbraw/zinc/78/99/10/568789910.db2.gz MOXRMNIHFSIAEP-QGZVFWFLSA-N -1 3 439.306 4.261 50 0 IIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)cc(N2CCCCC2)n1 ZINC000015671353 568802891 /nfs/dbraw/zinc/80/28/91/568802891.db2.gz OLHNCMUBRJWQMH-UHFFFAOYSA-N -1 3 441.532 4.459 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c(C)c1C ZINC000015671331 568802911 /nfs/dbraw/zinc/80/29/11/568802911.db2.gz PJMGROHXYJFXNN-UHFFFAOYSA-N -1 3 441.557 4.021 50 0 IIAAHM COc1ccc(NC(=O)CCc2ccco2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015704851 568807518 /nfs/dbraw/zinc/80/75/18/568807518.db2.gz BGDLPYDXHQORQE-UHFFFAOYSA-N -1 3 434.901 4.314 50 0 IIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)c1 ZINC000012941692 568869958 /nfs/dbraw/zinc/86/99/58/568869958.db2.gz IQDSKYFEVLSMKO-UHFFFAOYSA-N -1 3 432.496 4.367 50 0 IIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)c1 ZINC000138935168 568909409 /nfs/dbraw/zinc/90/94/09/568909409.db2.gz GWDKFFDTNYDZTC-RJGXRXQPSA-N -1 3 446.528 4.468 50 0 IIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)cc1 ZINC000238937459 568910454 /nfs/dbraw/zinc/91/04/54/568910454.db2.gz VOOMCSJTSLNGRL-VAMGGRTRSA-N -1 3 440.908 4.461 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000245240059 568913289 /nfs/dbraw/zinc/91/32/89/568913289.db2.gz KUSNJMJTTHZZMZ-HBMCJLEFSA-N -1 3 448.862 4.089 50 0 IIAAHM O=C(Nc1ccccc1[O-])c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1 ZINC000001954052 568923901 /nfs/dbraw/zinc/92/39/01/568923901.db2.gz BBKWCBMBBQIERM-UHFFFAOYSA-N -1 3 439.899 4.208 50 0 IIAAHM Cc1ccc(C[N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)o1 ZINC000064668377 568943339 /nfs/dbraw/zinc/94/33/39/568943339.db2.gz RBXPVIDBEQINLR-UHFFFAOYSA-N -1 3 444.553 4.364 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c(C)c1 ZINC000064952152 568997298 /nfs/dbraw/zinc/99/72/98/568997298.db2.gz XZYPEIGVSNBAFZ-UHFFFAOYSA-N -1 3 447.626 4.491 50 0 IIAAHM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3F)cc2C1=O ZINC000065241626 569118863 /nfs/dbraw/zinc/11/88/63/569118863.db2.gz FLTXNCWRXSRRHT-UHFFFAOYSA-N -1 3 441.484 4.492 50 0 IIAAHM Cc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccsc2)c1 ZINC000170612569 569146035 /nfs/dbraw/zinc/14/60/35/569146035.db2.gz VHLRBWUGTGSVEV-NRFANRHFSA-N -1 3 439.562 4.420 50 0 IIAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4cc(Cl)ccc4Cl)s3)nc2n1 ZINC000014604167 569159470 /nfs/dbraw/zinc/15/94/70/569159470.db2.gz HZMCOBCHROABNZ-UHFFFAOYSA-N -1 3 433.324 4.348 50 0 IIAAHM COc1cc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OC(F)F ZINC000020004240 569332357 /nfs/dbraw/zinc/33/23/57/569332357.db2.gz UQLLFTQXVBXZEY-UHFFFAOYSA-N -1 3 426.268 4.124 50 0 IIAAHM COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095480943 569374050 /nfs/dbraw/zinc/37/40/50/569374050.db2.gz VBVFISSNBBHXLP-INIZCTEOSA-N -1 3 430.453 4.177 50 0 IIAAHM COc1cc(OC)c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000002617788 569410406 /nfs/dbraw/zinc/41/04/06/569410406.db2.gz UYXFSLWNVIHIML-UHFFFAOYSA-N -1 3 435.502 4.248 50 0 IIAAHM Cc1cc(C(F)F)nn1Cc1n[n-]c(=S)n1-c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000002730692 569419224 /nfs/dbraw/zinc/41/92/24/569419224.db2.gz MGOHFLFFARGSDN-UHFFFAOYSA-N -1 3 443.527 4.217 50 0 IIAAHM Cc1ccc(-c2csc3[n-]c(CSc4nc5nc(C)cc(C)n5n4)nc(=O)c23)cc1 ZINC000003442053 569451277 /nfs/dbraw/zinc/45/12/77/569451277.db2.gz XQBJCXFOYOIVQC-UHFFFAOYSA-N -1 3 434.550 4.307 50 0 IIAAHM Cc1c(Cl)c(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)nc2ccccc12 ZINC000040024257 569482742 /nfs/dbraw/zinc/48/27/42/569482742.db2.gz IYSPDHFQWACHDD-UHFFFAOYSA-N -1 3 436.002 4.201 50 0 IIAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000009051149 569498645 /nfs/dbraw/zinc/49/86/45/569498645.db2.gz QPHSRQWRHGVVIE-LBPRGKRZSA-N -1 3 425.901 4.294 50 0 IIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1C ZINC000009169848 569509251 /nfs/dbraw/zinc/50/92/51/569509251.db2.gz 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C[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000009467862 569538562 /nfs/dbraw/zinc/53/85/62/569538562.db2.gz PVPFVRVBBSVPRA-QGZVFWFLSA-N -1 3 441.528 4.086 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000009544809 569546056 /nfs/dbraw/zinc/54/60/56/569546056.db2.gz MXPPCCSTKPRVRD-UHFFFAOYSA-N -1 3 426.494 4.065 50 0 IIAAHM CCc1nnc([N-]C(=O)c2cc(Cl)cc(Cl)c2I)s1 ZINC000009612583 569552830 /nfs/dbraw/zinc/55/28/30/569552830.db2.gz NSKLUGBSRHJIFH-UHFFFAOYSA-N -1 3 428.082 4.264 50 0 IIAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1SCc1ccccc1 ZINC000009640161 569555356 /nfs/dbraw/zinc/55/53/56/569555356.db2.gz XQSRIWULKBFOJU-UHFFFAOYSA-N -1 3 431.517 4.011 50 0 IIAAHM Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000009669638 569558108 /nfs/dbraw/zinc/55/81/08/569558108.db2.gz CULGTAPNQFGSQG-UHFFFAOYSA-N -1 3 430.946 4.318 50 0 IIAAHM O=C(Nc1cccc2c1CCCC2)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000009673323 569558927 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431.341 4.318 50 0 IIAAHM CCc1ccc(-c2noc(CSc3nc4[n-]ncc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000033292200 555743474 /nfs/dbraw/zinc/74/34/74/555743474.db2.gz ALBWTGVGQCGNTP-UHFFFAOYSA-N -1 3 430.493 4.014 50 0 IIAAHM CCc1ccc(-c2noc(CSc3nc4n[n-]cc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000033292200 555743477 /nfs/dbraw/zinc/74/34/77/555743477.db2.gz ALBWTGVGQCGNTP-UHFFFAOYSA-N -1 3 430.493 4.014 50 0 IIAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(OC)c1)C(F)(F)F ZINC000002275374 555764755 /nfs/dbraw/zinc/76/47/55/555764755.db2.gz CBEICMHIWVMVQX-SFHVURJKSA-N -1 3 446.809 4.306 50 0 IIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OC)c1)C(F)(F)F ZINC000004208061 555976316 /nfs/dbraw/zinc/97/63/16/555976316.db2.gz FGJUKVGJJHAXJI-GOSISDBHSA-N -1 3 446.809 4.306 50 0 IIAAHM COc1ccc(NC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC ZINC000006270025 556083221 /nfs/dbraw/zinc/08/32/21/556083221.db2.gz UUIISFPOIGHQFU-UHFFFAOYSA-N -1 3 441.509 4.457 50 0 IIAAHM 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IIAAHM O=C(c1sccc1-c1ccccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011449718 557148990 /nfs/dbraw/zinc/14/89/90/557148990.db2.gz UZLBUFWOVOMZHK-UHFFFAOYSA-N -1 3 432.592 4.060 50 0 IIAAHM O=S(=O)([N-]CCSCc1cccc(Cl)c1)c1ccc(Br)s1 ZINC000024614016 557156056 /nfs/dbraw/zinc/15/60/56/557156056.db2.gz FBXNBLFCOBMTQD-UHFFFAOYSA-N -1 3 426.810 4.376 50 0 IIAAHM CCN(CC)[C@@H](CN1CCN(C[C@H](C)C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000096316553 557198544 /nfs/dbraw/zinc/19/85/44/557198544.db2.gz OLQANDAZOREQMH-CPJSRVTESA-N -1 3 441.591 4.051 50 0 IIAAHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000026573016 557245264 /nfs/dbraw/zinc/24/52/64/557245264.db2.gz ANVJKLKKRHFXBK-UHFFFAOYSA-N -1 3 425.539 4.111 50 0 IIAAHM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000101629392 557291900 /nfs/dbraw/zinc/29/19/00/557291900.db2.gz BHRGZTKLUQMXFY-PMACEKPBSA-N -1 3 440.565 4.088 50 0 IIAAHM CCc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000101628123 557293051 /nfs/dbraw/zinc/29/30/51/557293051.db2.gz XIDYNBWCYUQVRT-SFTDATJTSA-N -1 3 440.565 4.033 50 0 IIAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000024593225 557328272 /nfs/dbraw/zinc/32/82/72/557328272.db2.gz NSCNWCXULFHZCY-UHFFFAOYSA-N -1 3 426.828 4.237 50 0 IIAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2ccccc2OCc2ccccn2)ccc1F ZINC000241287529 557846243 /nfs/dbraw/zinc/84/62/43/557846243.db2.gz LMGACNOWPGHNFK-UHFFFAOYSA-N -1 3 443.544 4.489 50 0 IIAAHM Cc1ccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2cccs2)s1 ZINC000241961347 557847298 /nfs/dbraw/zinc/84/72/98/557847298.db2.gz URQAEGACZQTDDW-KRWDZBQOSA-N -1 3 445.591 4.481 50 0 IIAAHM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000008604972 562956479 /nfs/dbraw/zinc/95/64/79/562956479.db2.gz GSUDUDOGHLWMCX-UHFFFAOYSA-N -1 3 427.906 4.349 50 0 IIAAHM C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015045412 568634550 /nfs/dbraw/zinc/63/45/50/568634550.db2.gz DOXMJCLVFYFKNS-ZDUSSCGKSA-N -1 3 436.339 4.377 50 0 IIAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c(OC)c1 ZINC000015733808 568815979 /nfs/dbraw/zinc/81/59/79/568815979.db2.gz CERBDHVLMSJRSL-UHFFFAOYSA-N -1 3 448.928 4.467 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000245240525 568913284 /nfs/dbraw/zinc/91/32/84/568913284.db2.gz ZDTSWYWUPWCDBR-HBMCJLEFSA-N -1 3 448.862 4.089 50 0 IIAAHM COc1nc(-c2ccc(C)cc2)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000035794509 568923154 /nfs/dbraw/zinc/92/31/54/568923154.db2.gz JNZXPSRRWWDARL-UHFFFAOYSA-N -1 3 434.521 4.361 50 0 IIAAHM Cc1ccccc1Cc1nc2c(c(=O)[n-]1)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000035819014 568927606 /nfs/dbraw/zinc/92/76/06/568927606.db2.gz JABFDKKBUKGOJV-UHFFFAOYSA-N -1 3 426.879 4.052 50 0 IIAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)nc(N2CCCCC2)n1 ZINC000064801902 568961743 /nfs/dbraw/zinc/96/17/43/568961743.db2.gz BBHDTKGUJXLVOY-UHFFFAOYSA-N -1 3 441.532 4.459 50 0 IIAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000064930816 568989308 /nfs/dbraw/zinc/98/93/08/568989308.db2.gz TZGSPSQEGCSAIX-MRXNPFEDSA-N -1 3 429.452 4.438 50 0 IIAAHM CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1cc(F)ccc1F)N2 ZINC000065298637 569132130 /nfs/dbraw/zinc/13/21/30/569132130.db2.gz CFSIHCAUHXNDFB-HXUWFJFHSA-N -1 3 429.467 4.143 50 0 biogenic IIAAHM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000170601094 569142948 /nfs/dbraw/zinc/14/29/48/569142948.db2.gz OLNHHSPFKGPZEL-HILYYZTDSA-N -1 3 425.978 4.002 50 0 IIAAHM CCC(CC)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccccc1C ZINC000170608974 569144846 /nfs/dbraw/zinc/14/48/46/569144846.db2.gz IKKADAXKAYIWJA-QFIPXVFZSA-N -1 3 427.570 4.480 50 0 IIAAHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cccc(Oc3ccccc3)c2)C1=O ZINC000009870151 569149387 /nfs/dbraw/zinc/14/93/87/569149387.db2.gz NRAVFDULONQXHT-RUZDIDTESA-N -1 3 429.476 4.067 50 0 IIAAHM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cccc(Oc3ccccc3)c2)C1=O ZINC000009870149 569149451 /nfs/dbraw/zinc/14/94/51/569149451.db2.gz NRAVFDULONQXHT-VWLOTQADSA-N -1 3 429.476 4.067 50 0 IIAAHM C[C@H](Sc1nnnn1-c1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009883561 569150055 /nfs/dbraw/zinc/15/00/55/569150055.db2.gz FPNDDJLFKWSDND-ZDUSSCGKSA-N -1 3 432.534 4.481 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)C2CCCCC2)[C@@H](c2cccc(F)c2)C1 ZINC000253433134 569269302 /nfs/dbraw/zinc/26/93/02/569269302.db2.gz SONLPHLDNHTJOP-JOCHJYFZSA-N -1 3 443.544 4.455 50 0 IIAAHM O=C(Nc1cccc(C(F)(F)F)c1)C1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000020154224 569353535 /nfs/dbraw/zinc/35/35/35/569353535.db2.gz YZHJHGVANRGDDB-UHFFFAOYSA-N -1 3 446.516 4.490 50 0 IIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(Cl)c2)CCO1 ZINC000096118423 569384442 /nfs/dbraw/zinc/38/44/42/569384442.db2.gz LYHJUYNCHQAVPG-ZBEGNZNMSA-N -1 3 425.913 4.286 50 0 IIAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@H]3CCCC[C@@H]3C)c2)cc1 ZINC000003022585 569436085 /nfs/dbraw/zinc/43/60/85/569436085.db2.gz ZMPAWYKVTYKFMS-YWZLYKJASA-N -1 3 434.533 4.334 50 0 IIAAHM Cc1ccccc1-n1nnnc1SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000003293761 569444564 /nfs/dbraw/zinc/44/45/64/569444564.db2.gz JOFTZEPBYQYFAO-UHFFFAOYSA-N -1 3 432.534 4.228 50 0 IIAAHM FC(F)(F)c1cccc(N2CCN(Cn3nc(-c4cccs4)[n-]c3=S)CC2)c1 ZINC000003387615 569449023 /nfs/dbraw/zinc/44/90/23/569449023.db2.gz VQRISELMBCXLMD-UHFFFAOYSA-N -1 3 425.505 4.468 50 0 IIAAHM CCc1nnc([N-]C(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)s1 ZINC000008753775 569473769 /nfs/dbraw/zinc/47/37/69/569473769.db2.gz HKHAOFQLVOXEOO-UHFFFAOYSA-N -1 3 431.481 4.050 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000008840654 569478296 /nfs/dbraw/zinc/47/82/96/569478296.db2.gz XANJSLGHMXWYAX-UHFFFAOYSA-N -1 3 436.533 4.366 50 0 IIAAHM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3C)ccc21 ZINC000008840777 569478431 /nfs/dbraw/zinc/47/84/31/569478431.db2.gz DOXOXWUZWOGDCK-UHFFFAOYSA-N -1 3 443.569 4.224 50 0 IIAAHM CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(Cl)ccc3[O-])[nH]n1)CCCC2 ZINC000008845790 569478923 /nfs/dbraw/zinc/47/89/23/569478923.db2.gz ATMHSILVMNBGTQ-UHFFFAOYSA-N -1 3 444.944 4.378 50 0 IIAAHM CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(Cl)ccc3[O-])n[nH]1)CCCC2 ZINC000008845790 569478924 /nfs/dbraw/zinc/47/89/24/569478924.db2.gz ATMHSILVMNBGTQ-UHFFFAOYSA-N -1 3 444.944 4.378 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1C ZINC000008961469 569491059 /nfs/dbraw/zinc/49/10/59/569491059.db2.gz WFAUMESVYWGIBF-UHFFFAOYSA-N -1 3 438.505 4.495 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c(C)c1 ZINC000009168415 569509196 /nfs/dbraw/zinc/50/91/96/569509196.db2.gz NBMSVQCIQDCXNN-UHFFFAOYSA-N -1 3 446.569 4.212 50 0 IIAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172755 569509516 /nfs/dbraw/zinc/50/95/16/569509516.db2.gz GCXGZTTZXIXESK-UHFFFAOYSA-N -1 3 434.533 4.343 50 0 IIAAHM CCOC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000009373519 569527024 /nfs/dbraw/zinc/52/70/24/569527024.db2.gz WPWLNJFFWIDUCM-UHFFFAOYSA-N -1 3 443.319 4.135 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc1 ZINC000009572638 569547769 /nfs/dbraw/zinc/54/77/69/569547769.db2.gz IWZURMQLBXFUCA-UHFFFAOYSA-N -1 3 425.437 4.409 50 0 IIAAHM CS(=O)(=O)c1cccc(-c2nnc([N-]C(=O)c3sc4ccccc4c3Cl)o2)c1 ZINC000009707633 569561594 /nfs/dbraw/zinc/56/15/94/569561594.db2.gz RQRHHKNLFLTARE-UHFFFAOYSA-N -1 3 433.898 4.261 50 0 IIAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Br)o1 ZINC000009835027 569570643 /nfs/dbraw/zinc/57/06/43/569570643.db2.gz FLIQBLNMTBIRTB-UHFFFAOYSA-N -1 3 439.262 4.234 50 0 IIAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1)c1ccco1 ZINC000008597948 132285742 /nfs/dbraw/zinc/28/57/42/132285742.db2.gz YYSPWQVLXNKXKR-UHFFFAOYSA-N -1 3 433.439 4.380 50 0 IIAAHM COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3[N-]C(=O)c3ccco3)CC2)c1 ZINC000009228388 132310053 /nfs/dbraw/zinc/31/00/53/132310053.db2.gz MADCRZJYIAPZIH-UHFFFAOYSA-N -1 3 445.475 4.249 50 0 IIAAHM CCC(CC)c1nnc([N-]C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000012764972 521636587 /nfs/dbraw/zinc/63/65/87/521636587.db2.gz PDGDPUOVIUIGJM-UHFFFAOYSA-N -1 3 440.566 4.008 50 0 IIAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1c(C)cc(C)cc1C)[n-]c2=O ZINC000021716229 524308251 /nfs/dbraw/zinc/30/82/51/524308251.db2.gz RMQCHENSOBZULR-UHFFFAOYSA-N -1 3 449.536 4.186 50 0 IIAAHM COc1ccc(NC(=O)/C=C/c2ccco2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000012531486 524449700 /nfs/dbraw/zinc/44/97/00/524449700.db2.gz CJODFJUOKKIAFZ-PKNBQFBNSA-N -1 3 432.885 4.394 50 0 IIAAHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000012789195 525787884 /nfs/dbraw/zinc/78/78/84/525787884.db2.gz AMLFNAWPGHQWGU-NRFANRHFSA-N -1 3 435.597 4.260 50 0 IIAAHM Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3c2nc[n-]c3=O)cc1 ZINC000012462112 525899101 /nfs/dbraw/zinc/89/91/01/525899101.db2.gz NDQHEJHAXOBPJJ-UHFFFAOYSA-N -1 3 433.537 4.073 50 0 biogenic,in-vitro IIAAHM O=C(Cc1noc2ccccc12)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000020895841 527346681 /nfs/dbraw/zinc/34/66/81/527346681.db2.gz KRIUPNQLOHASQS-UHFFFAOYSA-N -1 3 441.896 4.463 50 0 IIAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(I)cc2)c(C)c1C ZINC000001070738 555621163 /nfs/dbraw/zinc/62/11/63/555621163.db2.gz UNLZVLXULNGNRT-UHFFFAOYSA-N -1 3 431.295 4.026 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)c(C)c1C ZINC000001076831 555624660 /nfs/dbraw/zinc/62/46/60/555624660.db2.gz MTSSEXKOZFDHAT-UHFFFAOYSA-N -1 3 431.295 4.108 50 0 IIAAHM Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2[O-])C(Cl)(Cl)Cl)cc1 ZINC000001232111 555686831 /nfs/dbraw/zinc/68/68/31/555686831.db2.gz JKELWJOKKHDKNX-HNNXBMFYSA-N -1 3 432.760 4.113 50 0 IIAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2)sc1[N-]C(=O)c1ccco1 ZINC000002757508 555811570 /nfs/dbraw/zinc/81/15/70/555811570.db2.gz DWXOLZWKYXWBHZ-UHFFFAOYSA-N -1 3 428.466 4.339 50 0 IIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000009597834 556301793 /nfs/dbraw/zinc/30/17/93/556301793.db2.gz MJIIUVHZBHMZIW-UHFFFAOYSA-N -1 3 428.466 4.352 50 0 IIAAHM O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000014135522 556374769 /nfs/dbraw/zinc/37/47/69/556374769.db2.gz AUINKGJZMMKURY-QGZVFWFLSA-N -1 3 444.940 4.203 50 0 IIAAHM COCc1c(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)sc2cccc(F)c21 ZINC000032820909 556412431 /nfs/dbraw/zinc/41/24/31/556412431.db2.gz SENNXOWMZLHKRD-UHFFFAOYSA-N -1 3 442.512 4.383 50 0 IIAAHM Cc1c([O-])ccc2c(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc(=O)oc12 ZINC000032718934 556518373 /nfs/dbraw/zinc/51/83/73/556518373.db2.gz ZCJLBMADNMCHRB-UHFFFAOYSA-N -1 3 432.442 4.144 50 0 IIAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)ccc1Cl ZINC000072300909 556523585 /nfs/dbraw/zinc/52/35/85/556523585.db2.gz QCAUZBMOPNSWCR-CQSZACIVSA-N -1 3 428.904 4.124 50 0 IIAAHM CCO[C@H](CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCCC1 ZINC000072309593 556572498 /nfs/dbraw/zinc/57/24/98/556572498.db2.gz MKEMOAVJCVHOBY-JOCHJYFZSA-N -1 3 448.560 4.342 50 0 IIAAHM O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)[n-]c2scc(-c3ccco3)c21 ZINC000058171267 556768215 /nfs/dbraw/zinc/76/82/15/556768215.db2.gz UBYKTDJVHBDIGJ-MRXNPFEDSA-N -1 3 435.505 4.353 50 0 IIAAHM O=C(CC1CCCC1)N1CCC(c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)CC1 ZINC000033114024 556860946 /nfs/dbraw/zinc/86/09/46/556860946.db2.gz ZBIXOEZUGBZJPR-UHFFFAOYSA-N -1 3 434.512 4.355 50 0 IIAAHM CC(C)(C)C(=O)Nc1ccc2nc(N3CCN(C4CCCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260752 556897651 /nfs/dbraw/zinc/89/76/51/556897651.db2.gz QHKBGJQGXRZRDB-UHFFFAOYSA-N -1 3 438.572 4.372 50 0 IIAAHM Cc1cccc(C(=O)N2CCC(c3nnc(C(=O)[N-]c4ccc(F)cc4F)s3)CC2)c1 ZINC000033272986 557053225 /nfs/dbraw/zinc/05/32/25/557053225.db2.gz WLWAPBRTRAJTAZ-UHFFFAOYSA-N -1 3 442.491 4.397 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000010894664 557081728 /nfs/dbraw/zinc/08/17/28/557081728.db2.gz BYXJJKXDEKGJDD-UHFFFAOYSA-N -1 3 427.551 4.313 50 0 IIAAHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)N2CCCC2)cc1 ZINC000023994208 557130465 /nfs/dbraw/zinc/13/04/65/557130465.db2.gz LXVIOKKPYJIXEV-GOSISDBHSA-N -1 3 429.369 4.117 50 0 IIAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(F)cc1F ZINC000024428168 557146696 /nfs/dbraw/zinc/14/66/96/557146696.db2.gz KJCCVGJCGQNXQN-UHFFFAOYSA-N -1 3 429.750 4.224 50 0 IIAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000010959199 557157325 /nfs/dbraw/zinc/15/73/25/557157325.db2.gz MBFPLHHQBHPBSQ-UHFFFAOYSA-N -1 3 429.851 4.082 50 0 IIAAHM O=C([N-]c1cc(F)cc(F)c1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000024988867 557187041 /nfs/dbraw/zinc/18/70/41/557187041.db2.gz WKBUTEILPGKXNT-UHFFFAOYSA-N -1 3 434.489 4.026 50 0 IIAAHM C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NC1CCCCCC1 ZINC000025066090 557193899 /nfs/dbraw/zinc/19/38/99/557193899.db2.gz XQIQPOFVJXXZCO-ZDUSSCGKSA-N -1 3 445.976 4.494 50 0 IIAAHM COc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000025311803 557203567 /nfs/dbraw/zinc/20/35/67/557203567.db2.gz XZGUOWXLRSHMAT-UHFFFAOYSA-N -1 3 448.903 4.219 50 0 IIAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)c1ccccc1 ZINC000027174829 557258533 /nfs/dbraw/zinc/25/85/33/557258533.db2.gz HMAWERIUZNBDHK-MRXNPFEDSA-N -1 3 447.409 4.056 50 0 IIAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000102710718 557364740 /nfs/dbraw/zinc/36/47/40/557364740.db2.gz OXYHMUFBTGERQS-TZRRMPRUSA-N -1 3 444.487 4.232 50 0 IIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1Cl ZINC000102707150 557367245 /nfs/dbraw/zinc/36/72/45/557367245.db2.gz KIOTYXJJIYNXKL-YPAWHYETSA-N -1 3 434.879 4.405 50 0 IIAAHM COc1cc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc(OC)c1OC ZINC000102748435 557378787 /nfs/dbraw/zinc/37/87/87/557378787.db2.gz RMCXQTFJWULODM-WYRIXSBYSA-N -1 3 438.440 4.317 50 0 IIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102861331 557402230 /nfs/dbraw/zinc/40/22/30/557402230.db2.gz IUBITZYLXRRGMJ-YPAWHYETSA-N -1 3 434.879 4.400 50 0 IIAAHM CCc1cc2c(CNc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc(=O)oc2cc1[O-] ZINC000108417621 557542778 /nfs/dbraw/zinc/54/27/78/557542778.db2.gz WQVRIXQCCHGDAY-GJZGRUSLSA-N -1 3 426.488 4.426 50 0 IIAAHM CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000226992510 557811582 /nfs/dbraw/zinc/81/15/82/557811582.db2.gz OJTVJQQTIRDHQH-CEXWTWQISA-N -1 3 429.314 4.174 50 0 IIAAHM O=C([O-])CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000685944944 557839211 /nfs/dbraw/zinc/83/92/11/557839211.db2.gz KITHEXDWTAYFFT-UHFFFAOYSA-N -1 3 430.504 4.112 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000238882127 557841662 /nfs/dbraw/zinc/84/16/62/557841662.db2.gz CLDHLEJEAVKJKI-DNVJHFABSA-N -1 3 432.451 4.276 50 0 IIAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@H]3CCOC3)c2)cc1 ZINC000241653388 557846903 /nfs/dbraw/zinc/84/69/03/557846903.db2.gz PURPTRJYBCDXQZ-QUCCMNQESA-N -1 3 444.597 4.293 50 0 IIAAHM CCn1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)c(C)n1 ZINC000001000960 568650010 /nfs/dbraw/zinc/65/00/10/568650010.db2.gz PWLBZOSUAFDNQD-UHFFFAOYSA-N -1 3 426.542 4.190 50 0 IIAAHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)CS4)cc2)CC1 ZINC000015731210 568814620 /nfs/dbraw/zinc/81/46/20/568814620.db2.gz NPWVBXQAOLOALE-MRXNPFEDSA-N -1 3 445.610 4.404 50 0 IIAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000138428973 568837377 /nfs/dbraw/zinc/83/73/77/568837377.db2.gz KHWAVBYANPTJJF-BHDDXSALSA-N -1 3 434.879 4.400 50 0 IIAAHM O=C(/C=C\c1ccccc1)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000033387669 568842343 /nfs/dbraw/zinc/84/23/43/568842343.db2.gz HBUKBRDASJYJQI-SNGWPZLWSA-N -1 3 444.771 4.205 50 0 IIAAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc(F)ccc4F)nc3n2)cc1 ZINC000015868171 568851140 /nfs/dbraw/zinc/85/11/40/568851140.db2.gz UDMVABAXNAVHKT-UHFFFAOYSA-N -1 3 449.339 4.349 50 0 IIAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000016226259 568873444 /nfs/dbraw/zinc/87/34/44/568873444.db2.gz HYRZGUUYIPRTML-UHFFFAOYSA-N -1 3 435.299 4.404 50 0 IIAAHM O=C([N-]c1ccc(F)cc1F)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012986549 568895002 /nfs/dbraw/zinc/89/50/02/568895002.db2.gz XQKRVMZIDUGYPF-UHFFFAOYSA-N -1 3 434.489 4.026 50 0 IIAAHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(C)c1 ZINC000135943963 568908915 /nfs/dbraw/zinc/90/89/15/568908915.db2.gz QDYNHOKMRBDKAV-OEMFJLHTSA-N -1 3 428.488 4.369 50 0 IIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2)n1 ZINC000064801753 568961501 /nfs/dbraw/zinc/96/15/01/568961501.db2.gz PFVLLRWOFNNZOY-UHFFFAOYSA-N -1 3 427.530 4.078 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CCC4)cn3)cc2)cc1 ZINC000065063428 569098016 /nfs/dbraw/zinc/09/80/16/569098016.db2.gz OREBMNMIOOOECJ-UHFFFAOYSA-N -1 3 437.521 4.265 50 0 IIAAHM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccccc4C)cc3)nc3ccccc3n12 ZINC000065096442 569103583 /nfs/dbraw/zinc/10/35/83/569103583.db2.gz SHZYSOMZUYDDIE-UHFFFAOYSA-N -1 3 445.504 4.487 50 0 IIAAHM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000065116241 569107141 /nfs/dbraw/zinc/10/71/41/569107141.db2.gz NTLNYOCJJDMSAQ-UHFFFAOYSA-N -1 3 435.452 4.250 50 0 IIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1 ZINC000013010149 569306773 /nfs/dbraw/zinc/30/67/73/569306773.db2.gz ZUWBKISRXZHYTI-UHFFFAOYSA-N -1 3 448.552 4.386 50 0 IIAAHM Cc1nn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3)nn2)c(C)c1C ZINC000013010073 569306775 /nfs/dbraw/zinc/30/67/75/569306775.db2.gz KNNFUKGVTBNBPZ-UHFFFAOYSA-N -1 3 448.552 4.440 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]C[C@](O)(c2ccsc2)c2ccco2)c(Cl)cc1Cl ZINC000390829567 569354166 /nfs/dbraw/zinc/35/41/66/569354166.db2.gz ZUULCHQQDKAACH-KRWDZBQOSA-N -1 3 432.350 4.171 50 0 IIAAHM O=S(=O)([N-]CC1(Sc2ccccc2)CCOCC1)c1ccc(Br)s1 ZINC000096331241 569396249 /nfs/dbraw/zinc/39/62/49/569396249.db2.gz PKWQIGZIFPAAIS-UHFFFAOYSA-N -1 3 448.429 4.130 50 0 IIAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1cc(C)cc(C)c1)C3 ZINC000096326910 569396325 /nfs/dbraw/zinc/39/63/25/569396325.db2.gz VDVZIDLPKVCSFM-UHFFFAOYSA-N -1 3 425.916 4.216 50 0 IIAAHM O=C(Nc1ccccc1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccco1 ZINC000002633391 569412703 /nfs/dbraw/zinc/41/27/03/569412703.db2.gz MEYLDGGKCLSMIN-UHFFFAOYSA-N -1 3 449.488 4.066 50 0 IIAAHM COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C12CCCC2 ZINC000031812521 569457828 /nfs/dbraw/zinc/45/78/28/569457828.db2.gz HFFGPXPJPRXTBT-HXUWFJFHSA-N -1 3 428.916 4.183 50 0 IIAAHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)Nc1ccccc1C(F)(F)F ZINC000038397063 569462632 /nfs/dbraw/zinc/46/26/32/569462632.db2.gz REXLPIXLNCWAKW-UHFFFAOYSA-N -1 3 427.184 4.292 50 0 IIAAHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)Nc1ccccc1C(F)(F)F ZINC000038397063 569462633 /nfs/dbraw/zinc/46/26/33/569462633.db2.gz REXLPIXLNCWAKW-UHFFFAOYSA-N -1 3 427.184 4.292 50 0 IIAAHM CCCn1c(=O)[n-]nc1SCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000008734521 569472601 /nfs/dbraw/zinc/47/26/01/569472601.db2.gz GABTYIKTRTTZLH-UHFFFAOYSA-N -1 3 433.946 4.304 50 0 IIAAHM COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccccn3)cs2)[C@]1([O-])C(F)(F)F ZINC000008777898 569475450 /nfs/dbraw/zinc/47/54/50/569475450.db2.gz RBSGBCDKLQBTMC-FOIQADDNSA-N -1 3 446.454 4.251 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCCC1=CCCCC1 ZINC000009356486 569525557 /nfs/dbraw/zinc/52/55/57/569525557.db2.gz OUJRNIBGYQRTJK-UHFFFAOYSA-N -1 3 428.554 4.181 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccccc2F)C1 ZINC000009378568 569527667 /nfs/dbraw/zinc/52/76/67/569527667.db2.gz LBELTCFILYQINN-LJQANCHMSA-N -1 3 443.525 4.250 50 0 IIAAHM C[C@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000009467858 569538496 /nfs/dbraw/zinc/53/84/96/569538496.db2.gz PVPFVRVBBSVPRA-KRWDZBQOSA-N -1 3 441.528 4.086 50 0 IIAAHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cccs2)c2c[nH]c3ccccc32)c1OC ZINC000009591896 569550216 /nfs/dbraw/zinc/55/02/16/569550216.db2.gz NYHDHLPSLMRGKF-SFHVURJKSA-N -1 3 442.562 4.357 50 0 IIAAHM CCOc1ccc(-c2cc([N-]C(=O)Cn3ncc4c3c3cc(C)ccc3oc4=O)on2)cc1 ZINC000009641107 569555567 /nfs/dbraw/zinc/55/55/67/569555567.db2.gz NNEVTHKTFXLIAU-UHFFFAOYSA-N -1 3 444.447 4.144 50 0 IIAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4cccs4)n3C3CC3)nc(=O)c2c1C ZINC000009669971 569558183 /nfs/dbraw/zinc/55/81/83/569558183.db2.gz LGIKMJBJYTYSDI-UHFFFAOYSA-N -1 3 443.579 4.443 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1C ZINC000009715039 569562910 /nfs/dbraw/zinc/56/29/10/569562910.db2.gz UPXSHYHUPLJYDA-UHFFFAOYSA-N -1 3 433.533 4.420 50 0 IIAAHM O=C(c1sc2ccccc2c1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009853678 569571476 /nfs/dbraw/zinc/57/14/76/569571476.db2.gz RERVPHRBRPOVKT-UHFFFAOYSA-N -1 3 440.999 4.199 50 0 IIAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c1 ZINC000010077984 569577685 /nfs/dbraw/zinc/57/76/85/569577685.db2.gz MOKUFTJRCFTGDX-UHFFFAOYSA-N -1 3 428.554 4.181 50 0 IIAAHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000010077855 569577705 /nfs/dbraw/zinc/57/77/05/569577705.db2.gz RGENZEREQREXGK-UHFFFAOYSA-N -1 3 438.505 4.016 50 0 IIAAHM CC(C)(C)c1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C4CC4)c3)ccc2[nH]1 ZINC000012535843 519106927 /nfs/dbraw/zinc/10/69/27/519106927.db2.gz ATZOORSEDVISPP-UHFFFAOYSA-N -1 3 446.960 4.207 50 0 IIAAHM CC(C)CCN1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H](C)C1=O ZINC000035887025 519654607 /nfs/dbraw/zinc/65/46/07/519654607.db2.gz BWAFSMMGSZEGFC-OAHLLOKOSA-N -1 3 436.961 4.296 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1ccc(Br)cc1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000012412270 521347136 /nfs/dbraw/zinc/34/71/36/521347136.db2.gz KDZTWGLQAUZCHP-QGZVFWFLSA-N -1 3 445.235 4.113 50 0 IIAAHM COc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000021959527 523646827 /nfs/dbraw/zinc/64/68/27/523646827.db2.gz LMDDKZRLLISHRI-UHFFFAOYSA-N -1 3 438.474 4.226 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)cc1C ZINC000035598112 524324988 /nfs/dbraw/zinc/32/49/88/524324988.db2.gz GVTYSECCBBILJL-UHFFFAOYSA-N -1 3 434.525 4.132 50 0 IIAAHM Cc1cccc(CN2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)CC2)c1 ZINC000022915054 524398998 /nfs/dbraw/zinc/39/89/98/524398998.db2.gz WMRXWPFFXBSFNR-UHFFFAOYSA-N -1 3 430.577 4.278 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@]32C)cc1 ZINC000012402531 525266657 /nfs/dbraw/zinc/26/66/57/525266657.db2.gz NMDGAVCPYORKSW-SGIRGMQISA-N -1 3 432.451 4.276 50 0 IIAAHM O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000012846348 527296974 /nfs/dbraw/zinc/29/69/74/527296974.db2.gz JXHUWGFLQKUPEW-IBGZPJMESA-N -1 3 444.940 4.203 50 0 IIAAHM CCOc1cc(C2C(C(=O)OC)=CN(c3ccccc3)C=C2C(=O)OC)cc(Cl)c1[O-] ZINC000000816082 535671384 /nfs/dbraw/zinc/67/13/84/535671384.db2.gz XDYGEMPGAXYDKC-UHFFFAOYSA-N -1 3 443.883 4.162 50 0 IIAAHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NCCc2ccccc2)ccc1Cl ZINC000000683243 555538714 /nfs/dbraw/zinc/53/87/14/555538714.db2.gz IVVCSJAVJKDTLX-UHFFFAOYSA-N -1 3 428.941 4.422 50 0 IIAAHM Cc1cccc(C(=O)NN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1[O-] ZINC000000999317 555599935 /nfs/dbraw/zinc/59/99/35/555599935.db2.gz PBQDHHYULQFWPO-UHFFFAOYSA-N -1 3 434.062 4.255 50 0 IIAAHM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(CC)cc2)cc(Cl)c1[O-] ZINC000001110201 555631078 /nfs/dbraw/zinc/63/10/78/555631078.db2.gz SWLMGKVHMOQYJS-LJQANCHMSA-N -1 3 429.904 4.273 50 0 IIAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OC)c1)C(F)(F)F ZINC000004208060 555976381 /nfs/dbraw/zinc/97/63/81/555976381.db2.gz FGJUKVGJJHAXJI-SFHVURJKSA-N -1 3 446.809 4.306 50 0 IIAAHM COC(=O)c1ccccc1NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006270092 556083294 /nfs/dbraw/zinc/08/32/94/556083294.db2.gz ZSSTZGDZIULBTP-UHFFFAOYSA-N -1 3 439.493 4.226 50 0 IIAAHM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000002723568 556128835 /nfs/dbraw/zinc/12/88/35/556128835.db2.gz NOLJZXYTEIQJEW-OAHLLOKOSA-N -1 3 446.554 4.004 50 0 aggregator IIAAHM CCOc1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000032774458 556336548 /nfs/dbraw/zinc/33/65/48/556336548.db2.gz ZTIXWNMYVFQNHH-AWEZNQCLSA-N -1 3 435.509 4.039 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccccn1 ZINC000011582433 556342399 /nfs/dbraw/zinc/34/23/99/556342399.db2.gz CABXKYXOJAOEDY-HSALFYBXSA-N -1 3 439.393 4.152 50 0 IIAAHM O=C(COc1ccccc1Cc1ccccc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000014169180 556380918 /nfs/dbraw/zinc/38/09/18/556380918.db2.gz LOVHILDOJCGWCZ-UHFFFAOYSA-N -1 3 444.531 4.239 50 0 IIAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000013112830 556465902 /nfs/dbraw/zinc/46/59/02/556465902.db2.gz KBGBDIGDHKPSCT-UHFFFAOYSA-N -1 3 426.519 4.468 50 0 IIAAHM COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc(Br)c1[O-] ZINC000015016062 556485587 /nfs/dbraw/zinc/48/55/87/556485587.db2.gz JCQUWLWFRUEDCR-WCIBSUBMSA-N -1 3 425.076 4.419 50 0 IIAAHM COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1[O-] ZINC000016269665 556596213 /nfs/dbraw/zinc/59/62/13/556596213.db2.gz MGFRJSJDESDPCX-UHFFFAOYSA-N -1 3 429.723 4.252 50 0 IIAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4C)ccc3n2)CC1 ZINC000033010343 556658081 /nfs/dbraw/zinc/65/80/81/556658081.db2.gz HFQVLYXGKMCCDS-UHFFFAOYSA-N -1 3 432.524 4.026 50 0 IIAAHM O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000011883089 556668642 /nfs/dbraw/zinc/66/86/42/556668642.db2.gz JVJXZWQGSBXRDK-UHFFFAOYSA-N -1 3 438.530 4.471 50 0 IIAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N(Cc1ccncc1)C1CC1 ZINC000048299503 557061641 /nfs/dbraw/zinc/06/16/41/557061641.db2.gz WKENSJOTAUNTSV-UHFFFAOYSA-N -1 3 441.940 4.341 50 0 IIAAHM CCCN1CCc2nc(SCc3nc(-c4ccccc4OC)oc3C)[n-]c(=O)c2C1 ZINC000033287195 557064134 /nfs/dbraw/zinc/06/41/34/557064134.db2.gz NDJFUUJSANVZFV-UHFFFAOYSA-N -1 3 426.542 4.215 50 0 IIAAHM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000033298086 557074200 /nfs/dbraw/zinc/07/42/00/557074200.db2.gz VVIMQYHECHYLNW-UHFFFAOYSA-N -1 3 442.928 4.476 50 0 IIAAHM COc1ccc(-c2csc(N3N=C4c5ccccc5C[C@H]4[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000016957556 557158751 /nfs/dbraw/zinc/15/87/51/557158751.db2.gz ANGZXRXOAHCFFY-OXQOHEQNSA-N -1 3 431.439 4.466 50 0 IIAAHM CCOC(=O)c1sc2[n-]c(CSc3nc4ccccc4n3CC)nc(=O)c2c1C ZINC000025427003 557209251 /nfs/dbraw/zinc/20/92/51/557209251.db2.gz KULSEJLQFGPWIP-UHFFFAOYSA-N -1 3 428.539 4.132 50 0 IIAAHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 ZINC000027663353 557269406 /nfs/dbraw/zinc/26/94/06/557269406.db2.gz DBZYYPSKARMDLH-UHFFFAOYSA-N -1 3 433.898 4.261 50 0 IIAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000101628757 557291702 /nfs/dbraw/zinc/29/17/02/557291702.db2.gz JLARNNGSFSIAQE-CALCHBBNSA-N -1 3 446.956 4.124 50 0 IIAAHM CN(C(=O)c1ccccc1C(=O)OCC(=O)[N-]c1cc(C(C)(C)C)no1)c1ccccc1 ZINC000014634014 557346390 /nfs/dbraw/zinc/34/63/90/557346390.db2.gz DRBDZAWLWLKXIC-UHFFFAOYSA-N -1 3 435.480 4.044 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(OC)cc4)C(=O)[C@@]32C)cc1 ZINC000102701641 557365664 /nfs/dbraw/zinc/36/56/64/557365664.db2.gz ACHWGWKDDQUFBY-JCYRPKCISA-N -1 3 444.487 4.145 50 0 IIAAHM COc1cc(OC)c([C@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc1OC ZINC000102750339 557382578 /nfs/dbraw/zinc/38/25/78/557382578.db2.gz LXEUJDXWEIOABN-BIBXISHDSA-N -1 3 438.440 4.317 50 0 IIAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)c(OC)c1OC ZINC000102751326 557382825 /nfs/dbraw/zinc/38/28/25/557382825.db2.gz WNOCUXJTJRCUEH-ZMZPIMSZSA-N -1 3 438.440 4.317 50 0 IIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccccc2)cc1 ZINC000102861357 557402120 /nfs/dbraw/zinc/40/21/20/557402120.db2.gz WMUKCJWSARQGPN-BHIFYINESA-N -1 3 434.879 4.400 50 0 IIAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(O)c2)cc1 ZINC000229996913 557835029 /nfs/dbraw/zinc/83/50/29/557835029.db2.gz QQENCQLIBAWUEO-RBZQAINGSA-N -1 3 444.487 4.232 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)Nc1cccc(F)c1 ZINC000025052661 557857076 /nfs/dbraw/zinc/85/70/76/557857076.db2.gz ZUCWWUHMRCEVSP-LLVKDONJSA-N -1 3 443.891 4.433 50 0 IIAAHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)C[C@@H](C)O1 ZINC000003212871 562932909 /nfs/dbraw/zinc/93/29/09/562932909.db2.gz IWJSFSNMTOSQRR-CHWSQXEVSA-N -1 3 443.352 4.044 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000006144619 568846038 /nfs/dbraw/zinc/84/60/38/568846038.db2.gz OYAYTABGNJMOJJ-VAMGGRTRSA-N -1 3 439.393 4.152 50 0 IIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000239046351 568910542 /nfs/dbraw/zinc/91/05/42/568910542.db2.gz FOSNTVDHSDNFAX-BHIFYINESA-N -1 3 434.879 4.400 50 0 IIAAHM O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930322 568988703 /nfs/dbraw/zinc/98/87/03/568988703.db2.gz HMBPEBZZPBFWJU-QGZVFWFLSA-N -1 3 446.454 4.114 50 0 IIAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)NC2CCCCC2)s1 ZINC000064930836 568989220 /nfs/dbraw/zinc/98/92/20/568989220.db2.gz PRNDFHGGIAWHFO-INIZCTEOSA-N -1 3 435.500 4.248 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000169679756 568991100 /nfs/dbraw/zinc/99/11/00/568991100.db2.gz OYAYTABGNJMOJJ-SLFFLAALSA-N -1 3 439.393 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cn(CCOc3ccccc3C)c3ccccc23)S1 ZINC000065322491 569136733 /nfs/dbraw/zinc/13/67/33/569136733.db2.gz JYPHGRCECVGHII-JOCHJYFZSA-N -1 3 436.537 4.030 50 0 IIAAHM Cc1csc(C2CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)CC2)n1 ZINC000170626264 569148633 /nfs/dbraw/zinc/14/86/33/569148633.db2.gz AISNIMAJKAAWSA-UHFFFAOYSA-N -1 3 432.343 4.075 50 0 IIAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1C ZINC000013696541 569156692 /nfs/dbraw/zinc/15/66/92/569156692.db2.gz HULPFGOLQATJNK-UHFFFAOYSA-N -1 3 430.570 4.438 50 0 IIAAHM O=C(C1CCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000020209317 569356099 /nfs/dbraw/zinc/35/60/99/569356099.db2.gz PBKTZJKJCZBMSB-UHFFFAOYSA-N -1 3 440.443 4.075 50 0 IIAAHM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(C2CCCCC2)CC1 ZINC000020643533 569374901 /nfs/dbraw/zinc/37/49/01/569374901.db2.gz AJAUFTOZRGLKAC-UHFFFAOYSA-N -1 3 442.629 4.096 50 0 IIAAHM COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000096335874 569396644 /nfs/dbraw/zinc/39/66/44/569396644.db2.gz GSHYWTVQEMPFSL-QGZVFWFLSA-N -1 3 431.897 4.381 50 0 IIAAHM Cc1nn(-c2ccccn2)c(C)c1CC[N-]S(=O)(=O)c1cc(C)c(Cl)cc1Cl ZINC000225583808 569404878 /nfs/dbraw/zinc/40/48/78/569404878.db2.gz ITDSEISBINQHOJ-UHFFFAOYSA-N -1 3 439.368 4.020 50 0 IIAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)cc1 ZINC000003022249 569436034 /nfs/dbraw/zinc/43/60/34/569436034.db2.gz JECUDIDOAVCGMA-UHFFFAOYSA-N -1 3 430.476 4.258 50 0 IIAAHM COC[C@H](C)n1c(C)cc(C(=O)CSc2n[n-]c(COc3ccccc3C)n2)c1C ZINC000003422484 569450491 /nfs/dbraw/zinc/45/04/91/569450491.db2.gz RPDFZQHWYLCBCW-INIZCTEOSA-N -1 3 428.558 4.293 50 0 IIAAHM COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C12CCCC2 ZINC000031812516 569457797 /nfs/dbraw/zinc/45/77/97/569457797.db2.gz HFFGPXPJPRXTBT-FQEVSTJZSA-N -1 3 428.916 4.183 50 0 IIAAHM COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2n[n-]c(-c3cccs3)n2)c1 ZINC000008709251 569470753 /nfs/dbraw/zinc/47/07/53/569470753.db2.gz XSFVXURUCKKCTA-OAHLLOKOSA-N -1 3 430.555 4.006 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1C ZINC000008840646 569478336 /nfs/dbraw/zinc/47/83/36/569478336.db2.gz DTQONLOCLKCXRS-UHFFFAOYSA-N -1 3 436.533 4.284 50 0 IIAAHM CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N([N-]C(=O)c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000008955671 569490147 /nfs/dbraw/zinc/49/01/47/569490147.db2.gz WNZPEYYQWOLOGI-UBFBPUDLSA-N -1 3 442.902 4.051 50 0 IIAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2OCC(C)(C)C1=O ZINC000009170638 569509336 /nfs/dbraw/zinc/50/93/36/569509336.db2.gz BGFLQBNZHXLATD-UHFFFAOYSA-N -1 3 428.554 4.138 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000009174108 569509631 /nfs/dbraw/zinc/50/96/31/569509631.db2.gz SAOZPVCKOAMWQJ-UHFFFAOYSA-N -1 3 446.569 4.294 50 0 IIAAHM CSc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1 ZINC000009243699 569514967 /nfs/dbraw/zinc/51/49/67/569514967.db2.gz LPNRYQAVONWYSK-HXUWFJFHSA-N -1 3 429.929 4.004 50 0 IIAAHM Cc1cccc(CS(=O)(=O)c2nnc([N-]C(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000009303197 569521035 /nfs/dbraw/zinc/52/10/35/569521035.db2.gz MYJSHGOFICFMKM-UHFFFAOYSA-N -1 3 442.349 4.380 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000009345827 569524142 /nfs/dbraw/zinc/52/41/42/569524142.db2.gz ZDTSWYWUPWCDBR-NJDAHSKKSA-N -1 3 448.862 4.089 50 0 IIAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000009572513 569547758 /nfs/dbraw/zinc/54/77/58/569547758.db2.gz OYHLWTACEIICML-UHFFFAOYSA-N -1 3 429.521 4.315 50 0 IIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C)c(OC)cc3C)cc2)n1 ZINC000009572474 569547801 /nfs/dbraw/zinc/54/78/01/569547801.db2.gz CQEAQQVCBPNXOS-UHFFFAOYSA-N -1 3 441.557 4.387 50 0 IIAAHM O=C(NCCc1ccc(Cl)cc1Cl)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000009678948 569559657 /nfs/dbraw/zinc/55/96/57/569559657.db2.gz VIRQCGRWMYEMRG-FQEVSTJZSA-N -1 3 447.293 4.077 50 0 IIAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009816313 569569285 /nfs/dbraw/zinc/56/92/85/569569285.db2.gz IJGFNQPMKKNQTN-NRFANRHFSA-N -1 3 444.578 4.269 50 0 IIAAHM O=C([O-])/C(=C/C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000008438858 132281915 /nfs/dbraw/zinc/28/19/15/132281915.db2.gz GQWYRJOLGQCUMY-NCELDCMTSA-N -1 3 441.531 4.116 50 0 IIAAHM CC(C)N(C(=O)[C@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(C)C ZINC000012745124 519573888 /nfs/dbraw/zinc/57/38/88/519573888.db2.gz UIKDWYUJAZMDJV-ZDUSSCGKSA-N -1 3 433.965 4.301 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCOc2ccc(C)cc2C)S1 ZINC000020896349 519642945 /nfs/dbraw/zinc/64/29/45/519642945.db2.gz TYMFSBCZZVXYSE-JOCHJYFZSA-N -1 3 441.553 4.071 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3cc(C)cc(C)c3)cc2)S1 ZINC000020895679 519643271 /nfs/dbraw/zinc/64/32/71/519643271.db2.gz FKCUUMCCRPPYET-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000015865793 519837606 /nfs/dbraw/zinc/83/76/06/519837606.db2.gz TXSOOYVTIADSMV-FQEVSTJZSA-N -1 3 428.579 4.400 50 0 IIAAHM CCOC(=O)C1CCN(Cc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)CC1 ZINC000021822756 520576320 /nfs/dbraw/zinc/57/63/20/520576320.db2.gz QGJKNFLXCCWDOU-UHFFFAOYSA-N -1 3 431.945 4.080 50 0 IIAAHM COC(=O)c1ccccc1Nc1c(-c2cc(Br)ccc2[O-])nc2cnccn21 ZINC000035616513 522285271 /nfs/dbraw/zinc/28/52/71/522285271.db2.gz WEAIYCHLBHBFSO-UHFFFAOYSA-N -1 3 439.269 4.395 50 0 IIAAHM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(Cc4cccc5ccccc54)CC3)c[nH]c21 ZINC000020723205 524201568 /nfs/dbraw/zinc/20/15/68/524201568.db2.gz PKKYNODIGWCLRK-VWLOTQADSA-N -1 3 429.520 4.273 50 0 IIAAHM COc1ccc(NC(=O)c2ccc(C)nc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000021877893 524630552 /nfs/dbraw/zinc/63/05/52/524630552.db2.gz PGPJVEBWLYRQQI-UHFFFAOYSA-N -1 3 431.901 4.105 50 0 IIAAHM Cc1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc43)CC2)c(C)c1 ZINC000020736702 524965667 /nfs/dbraw/zinc/96/56/67/524965667.db2.gz MUEQFWDBCVDZIQ-NRFANRHFSA-N -1 3 442.357 4.495 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1C ZINC000017011372 525087731 /nfs/dbraw/zinc/08/77/31/525087731.db2.gz IKQWKRGORTXXFK-UHFFFAOYSA-N -1 3 436.533 4.397 50 0 IIAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1ccccc1C(F)(F)F ZINC000020597796 525513554 /nfs/dbraw/zinc/51/35/54/525513554.db2.gz GOTAALBQFXWSPK-UHFFFAOYSA-N -1 3 436.444 4.427 50 0 IIAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c(C)s2)no1 ZINC000035539137 526561630 /nfs/dbraw/zinc/56/16/30/526561630.db2.gz YJYRSKIAAUXHFE-UHFFFAOYSA-N -1 3 428.333 4.287 50 0 IIAAHM Cn1nc(C(F)(F)F)c2cc(C(=O)[N-]c3ncn(Cc4ccccc4Cl)n3)sc21 ZINC000020616191 527550295 /nfs/dbraw/zinc/55/02/95/527550295.db2.gz NMURXWYIICSKGY-UHFFFAOYSA-N -1 3 440.838 4.199 50 0 IIAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000012324449 527656382 /nfs/dbraw/zinc/65/63/82/527656382.db2.gz RGDXRVVMUCXYIF-LJQANCHMSA-N -1 3 432.293 4.017 50 0 IIAAHM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(c2ccccn2)CC1 ZINC000020677357 527656622 /nfs/dbraw/zinc/65/66/22/527656622.db2.gz XTPZBRCYXUAKHI-RUZDIDTESA-N -1 3 442.519 4.090 50 0 IIAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000001148505 555654983 /nfs/dbraw/zinc/65/49/83/555654983.db2.gz KPGNJUAQBPFGFU-UHFFFAOYSA-N -1 3 441.505 4.008 50 0 IIAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)c(Cl)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103600 555887430 /nfs/dbraw/zinc/88/74/30/555887430.db2.gz KVZGGZZXZSVRRB-HNNXBMFYSA-N -1 3 425.190 4.250 50 0 IIAAHM CC1=NC(=O)[N-][C@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCC(F)(F)C(F)(F)F ZINC000004065400 555957389 /nfs/dbraw/zinc/95/73/89/555957389.db2.gz TUEPIEKUVRHOCW-LLVKDONJSA-N -1 3 433.160 4.362 50 0 IIAAHM CCCCN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000002723413 556128477 /nfs/dbraw/zinc/12/84/77/556128477.db2.gz KVHQXKOQPVFTTQ-UHFFFAOYSA-N -1 3 448.932 4.063 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000013769531 556304575 /nfs/dbraw/zinc/30/45/75/556304575.db2.gz KUSNJMJTTHZZMZ-NJDAHSKKSA-N -1 3 448.862 4.089 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000004325359 556323358 /nfs/dbraw/zinc/32/33/58/556323358.db2.gz FYHTYUXWMHZIRA-VAMGGRTRSA-N -1 3 440.286 4.440 50 0 IIAAHM Cc1ccc(NC(=O)C2CCN(C(=O)CSc3nc4ccccc4s3)CC2)c([O-])c1 ZINC000014168085 556380562 /nfs/dbraw/zinc/38/05/62/556380562.db2.gz CUXGKRKEPFSFKV-UHFFFAOYSA-N -1 3 441.578 4.280 50 0 IIAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnnn4C4CCCC4)nc(=O)c23)s1 ZINC000013112685 556465555 /nfs/dbraw/zinc/46/55/55/556465555.db2.gz OZCNWVWRXWWSCP-UHFFFAOYSA-N -1 3 430.584 4.415 50 0 IIAAHM CCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3[O-])c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000013121757 556474439 /nfs/dbraw/zinc/47/44/39/556474439.db2.gz QIFZAHFTFUSFHH-NRFANRHFSA-N -1 3 427.888 4.414 50 0 IIAAHM CCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3[O-])c2[C@H]1c1ccc(O)c(OC)c1 ZINC000013121758 556474503 /nfs/dbraw/zinc/47/45/03/556474503.db2.gz QIFZAHFTFUSFHH-OAQYLSRUSA-N -1 3 427.888 4.414 50 0 IIAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000015099339 556503500 /nfs/dbraw/zinc/50/35/00/556503500.db2.gz DZMHSIMSMBVDPD-UHFFFAOYSA-N -1 3 434.439 4.447 50 0 IIAAHM O=C([N-]c1nnc(C2CC2)s1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F ZINC000032908268 556564522 /nfs/dbraw/zinc/56/45/22/556564522.db2.gz QRXHMLIJBRCRLR-UHFFFAOYSA-N -1 3 448.352 4.286 50 0 IIAAHM CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000016601561 556616842 /nfs/dbraw/zinc/61/68/42/556616842.db2.gz ATUCXNHMXNUUOF-AWEZNQCLSA-N -1 3 439.375 4.477 50 0 IIAAHM Cc1nn2c(ncc3c2ccn([N-]C(=O)c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040396311 556639098 /nfs/dbraw/zinc/63/90/98/556639098.db2.gz UCWMRNBIDMUXKD-UHFFFAOYSA-N -1 3 429.867 4.057 50 0 IIAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000011915998 556673016 /nfs/dbraw/zinc/67/30/16/556673016.db2.gz VWCYAHGYZSQWAI-UHFFFAOYSA-N -1 3 428.466 4.220 50 0 IIAAHM Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)cc2)cc1 ZINC000032936745 556678794 /nfs/dbraw/zinc/67/87/94/556678794.db2.gz YHDQJPLHZRTJGQ-UHFFFAOYSA-N -1 3 435.498 4.011 50 0 IIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008901678 556851366 /nfs/dbraw/zinc/85/13/66/556851366.db2.gz KGSNDEUBDPLTMC-KRWDZBQOSA-N -1 3 429.007 4.306 50 0 IIAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1C ZINC000033078174 556853082 /nfs/dbraw/zinc/85/30/82/556853082.db2.gz WASUJYOADKPDHA-UHFFFAOYSA-N -1 3 441.557 4.021 50 0 IIAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000023157163 557029927 /nfs/dbraw/zinc/02/99/27/557029927.db2.gz HLMKQPCDVLZVDM-LJQANCHMSA-N -1 3 442.585 4.293 50 0 IIAAHM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3ccccc3Cl)cc2s1 ZINC000033299068 557075335 /nfs/dbraw/zinc/07/53/35/557075335.db2.gz JRRKCILKKYXWRV-UHFFFAOYSA-N -1 3 444.987 4.075 50 0 IIAAHM O=C([O-])/C(=C\C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000000627032 557122085 /nfs/dbraw/zinc/12/20/85/557122085.db2.gz GQWYRJOLGQCUMY-PLRJNAJWSA-N -1 3 441.531 4.116 50 0 IIAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000630544 557122752 /nfs/dbraw/zinc/12/27/52/557122752.db2.gz ABRDWLBAPZXIDH-UHFFFAOYSA-N -1 3 431.304 4.391 50 0 IIAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000630544 557122756 /nfs/dbraw/zinc/12/27/56/557122756.db2.gz ABRDWLBAPZXIDH-UHFFFAOYSA-N -1 3 431.304 4.391 50 0 IIAAHM COc1ccc(NC(=O)c2cc(C3CC3)on2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000025095486 557195223 /nfs/dbraw/zinc/19/52/23/557195223.db2.gz SIEDWKJJPXELET-UHFFFAOYSA-N -1 3 447.900 4.267 50 0 IIAAHM CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101025250 557214441 /nfs/dbraw/zinc/21/44/41/557214441.db2.gz HZCHVXGZXPEOCQ-QYZOEREBSA-N -1 3 429.314 4.318 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000018033983 557230624 /nfs/dbraw/zinc/23/06/24/557230624.db2.gz OYAYTABGNJMOJJ-HSALFYBXSA-N -1 3 439.393 4.152 50 0 IIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)cc1 ZINC000101997242 557311354 /nfs/dbraw/zinc/31/13/54/557311354.db2.gz VOOMCSJTSLNGRL-HSALFYBXSA-N -1 3 440.908 4.461 50 0 IIAAHM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1)Nc1ccc(F)cc1 ZINC000011667541 557321619 /nfs/dbraw/zinc/32/16/19/557321619.db2.gz GOSJGPQHHVUUKF-UHFFFAOYSA-N -1 3 440.884 4.453 50 0 IIAAHM COc1cc([C@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc(OC)c1OC ZINC000102748438 557378936 /nfs/dbraw/zinc/37/89/36/557378936.db2.gz RMCXQTFJWULODM-JEOXALJRSA-N -1 3 438.440 4.317 50 0 IIAAHM O=S(=O)([N-]C[C@@H](c1ccc(F)cc1F)N1CCCC1)c1cc(Cl)ccc1Cl ZINC000238950233 557842176 /nfs/dbraw/zinc/84/21/76/557842176.db2.gz XGSIEJKLFVQFRL-KRWDZBQOSA-N -1 3 435.323 4.387 50 0 IIAAHM O=C(N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003130609 557842260 /nfs/dbraw/zinc/84/22/60/557842260.db2.gz XYDOBODYRMXZKS-AWEZNQCLSA-N -1 3 448.759 4.301 50 0 IIAAHM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2OC)cc1 ZINC000018708019 557854685 /nfs/dbraw/zinc/85/46/85/557854685.db2.gz XDHULJXUELRNHS-UHFFFAOYSA-N -1 3 426.494 4.130 50 0 IIAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000015732602 568815446 /nfs/dbraw/zinc/81/54/46/568815446.db2.gz KVAONNULWGVOBR-UHFFFAOYSA-N -1 3 433.537 4.247 50 0 IIAAHM O=C(/C=C\c1ccccc1)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000033387668 568842407 /nfs/dbraw/zinc/84/24/07/568842407.db2.gz HBUKBRDASJYJQI-BLIJAFNYSA-N -1 3 444.771 4.205 50 0 IIAAHM Cc1cccc(-c2nc3c(c(=O)[n-]2)CN(C(=O)Nc2ccccc2Br)CC3)c1 ZINC000035815309 568927559 /nfs/dbraw/zinc/92/75/59/568927559.db2.gz SZBPMSRZSSXWEI-UHFFFAOYSA-N -1 3 439.313 4.098 50 0 IIAAHM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)nc1 ZINC000065063498 569097669 /nfs/dbraw/zinc/09/76/69/569097669.db2.gz MAZKBEVKYVNAIJ-UHFFFAOYSA-N -1 3 425.510 4.041 50 0 IIAAHM CCC(CC)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccccc1C ZINC000170608975 569144915 /nfs/dbraw/zinc/14/49/15/569144915.db2.gz IKKADAXKAYIWJA-JOCHJYFZSA-N -1 3 427.570 4.480 50 0 IIAAHM O=C([C@H]1C[C@H]1c1c(F)cccc1F)N(c1ccc([O-])cc1)S(=O)(=O)c1ccccc1 ZINC000170629421 569148885 /nfs/dbraw/zinc/14/88/85/569148885.db2.gz BXQKQMOXZPUSJU-MSOLQXFVSA-N -1 3 429.444 4.196 50 0 IIAAHM CCCc1ccc([C@@H](NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c2cccs2)cc1 ZINC000089960452 569168958 /nfs/dbraw/zinc/16/89/58/569168958.db2.gz GRZITYBQZWAXEH-PXDATVDWSA-N -1 3 447.560 4.275 50 0 IIAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)cc2O1 ZINC000253413143 569266057 /nfs/dbraw/zinc/26/60/57/569266057.db2.gz TXPSMVHSAJQDJG-SFHVURJKSA-N -1 3 449.507 4.145 50 0 biogenic IIAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(O)cc3)on2)c(C(=O)OCC)c1C ZINC000020137461 569335911 /nfs/dbraw/zinc/33/59/11/569335911.db2.gz RGVPJOOGKNAYQG-UHFFFAOYSA-N -1 3 444.465 4.023 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2cccc(F)c2)C1 ZINC000096012488 569380064 /nfs/dbraw/zinc/38/00/64/569380064.db2.gz OVEKLDBQNSKECO-IBGZPJMESA-N -1 3 443.525 4.250 50 0 IIAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1c(C)cccc1C)C3 ZINC000096326906 569396329 /nfs/dbraw/zinc/39/63/29/569396329.db2.gz YRPODGYZSSBZMA-UHFFFAOYSA-N -1 3 425.916 4.216 50 0 IIAAHM CN(C)[C@H](CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000096437986 569400665 /nfs/dbraw/zinc/40/06/65/569400665.db2.gz DPYISSUBMSFSEE-JOCHJYFZSA-N -1 3 447.564 4.145 50 0 IIAAHM Cc1sc2[n-]c(COC(=O)c3ccccc3C(=O)c3ccc(C)cc3)nc(=O)c2c1C ZINC000003311925 569445531 /nfs/dbraw/zinc/44/55/31/569445531.db2.gz ZZFIGGXRPYQAML-UHFFFAOYSA-N -1 3 432.501 4.498 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 ZINC000008977283 569493004 /nfs/dbraw/zinc/49/30/04/569493004.db2.gz MALNTBJNMLREDI-UHFFFAOYSA-N -1 3 442.562 4.146 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(OC)cc4)C(=O)[C@]32C)cc1 ZINC000009109898 569501969 /nfs/dbraw/zinc/50/19/69/569501969.db2.gz ACHWGWKDDQUFBY-ZEVJAHDQSA-N -1 3 444.487 4.145 50 0 IIAAHM C[C@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccc2ccccc2c1 ZINC000009112882 569502420 /nfs/dbraw/zinc/50/24/20/569502420.db2.gz RXPVJIRIZSCURE-INIZCTEOSA-N -1 3 443.594 4.115 50 0 IIAAHM O=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000009125613 569504709 /nfs/dbraw/zinc/50/47/09/569504709.db2.gz SVJZNVIEXIKJOI-UHFFFAOYSA-N -1 3 432.904 4.252 50 0 IIAAHM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC000009228280 569513613 /nfs/dbraw/zinc/51/36/13/569513613.db2.gz MSKWRRDBZZKIDH-UHFFFAOYSA-N -1 3 441.553 4.364 50 0 IIAAHM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1)N1CCc2ccccc21 ZINC000009368233 569526588 /nfs/dbraw/zinc/52/65/88/569526588.db2.gz ONNFMSJIMKXCOO-UHFFFAOYSA-N -1 3 448.932 4.264 50 0 IIAAHM Cc1ccccc1[C@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)c1cccs1 ZINC000009378554 569527672 /nfs/dbraw/zinc/52/76/72/569527672.db2.gz WCLRDYXCBHCVBB-HXUWFJFHSA-N -1 3 439.562 4.420 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)Nc3ccccc3F)c2)cc1 ZINC000009465411 569537935 /nfs/dbraw/zinc/53/79/35/569537935.db2.gz BFCSJAUKQQRYBT-UHFFFAOYSA-N -1 3 445.472 4.288 50 0 IIAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)n1 ZINC000009572541 569547772 /nfs/dbraw/zinc/54/77/72/569547772.db2.gz LSABFPJCTNXIJM-UHFFFAOYSA-N -1 3 425.558 4.484 50 0 IIAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 ZINC000010077827 569577666 /nfs/dbraw/zinc/57/76/66/569577666.db2.gz 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CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3cccc(C)c3C)cc2)S1 ZINC000020895700 519643601 /nfs/dbraw/zinc/64/36/01/519643601.db2.gz OIODSHBNJROHOA-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCCCOc2cc(C)ccc2C)S1 ZINC000020896243 519643605 /nfs/dbraw/zinc/64/36/05/519643605.db2.gz UISORERRIKXEIS-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c(C)c1 ZINC000020922413 520919337 /nfs/dbraw/zinc/91/93/37/520919337.db2.gz YKQWJXMOYVTJEY-QGZVFWFLSA-N -1 3 441.597 4.330 50 0 IIAAHM CCCn1c2ccccc2c2cnn(CC(=O)[N-]c3cc(-c4cccc(F)c4)no3)c(=O)c21 ZINC000020557156 521637830 /nfs/dbraw/zinc/63/78/30/521637830.db2.gz MOHLKYDSRKQTNR-UHFFFAOYSA-N -1 3 445.454 4.194 50 0 IIAAHM CCN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022798454 521692345 /nfs/dbraw/zinc/69/23/45/521692345.db2.gz OWEDDPSLTSGTKW-QGZVFWFLSA-N -1 3 443.960 4.137 50 0 IIAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1C ZINC000021757267 522223481 /nfs/dbraw/zinc/22/34/81/522223481.db2.gz WJZRELIECHLYHV-UHFFFAOYSA-N -1 3 438.553 4.170 50 0 IIAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000020895624 522931883 /nfs/dbraw/zinc/93/18/83/522931883.db2.gz QFZUZANXPULNCG-FQEVSTJZSA-N -1 3 447.944 4.237 50 0 IIAAHM Cc1ccc(C)c(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c1 ZINC000020467735 524136762 /nfs/dbraw/zinc/13/67/62/524136762.db2.gz CSICGBPOUZSLDJ-UHFFFAOYSA-N -1 3 434.565 4.088 50 0 IIAAHM COc1cccc2c([C@H](C(=O)[O-])N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c[nH]c21 ZINC000020722695 524201526 /nfs/dbraw/zinc/20/15/26/524201526.db2.gz BUXMPRCRLAZBFR-HXUWFJFHSA-N -1 3 434.323 4.431 50 0 IIAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4cccc5ccccc54)CC3)c2c1 ZINC000020738593 525494407 /nfs/dbraw/zinc/49/44/07/525494407.db2.gz FOQSFQXQVVFSFM-RUZDIDTESA-N -1 3 429.520 4.273 50 0 IIAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3c2nc[n-]c3=O)cc1 ZINC000012462121 525899533 /nfs/dbraw/zinc/89/95/33/525899533.db2.gz UVAPBMOKYLJOGU-UHFFFAOYSA-N -1 3 433.537 4.271 50 0 biogenic,in-vitro IIAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012776012 526003377 /nfs/dbraw/zinc/00/33/77/526003377.db2.gz UIIYLRVZEABBNY-IOAHRDFVSA-N -1 3 449.580 4.087 50 0 IIAAHM O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020737293 526314907 /nfs/dbraw/zinc/31/49/07/526314907.db2.gz BEYSTTBMXLNDDS-SFHVURJKSA-N -1 3 438.837 4.183 50 0 IIAAHM O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1)NCc1ccc(F)cc1 ZINC000012766215 527030598 /nfs/dbraw/zinc/03/05/98/527030598.db2.gz MGOZEWDFTKXEJI-UHFFFAOYSA-N -1 3 445.566 4.402 50 0 IIAAHM O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000012846354 527296998 /nfs/dbraw/zinc/29/69/98/527296998.db2.gz JXHUWGFLQKUPEW-LJQANCHMSA-N -1 3 444.940 4.203 50 0 IIAAHM CC(C)(C)c1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000000630528 555514676 /nfs/dbraw/zinc/51/46/76/555514676.db2.gz LCROMFQZYPODPZ-UHFFFAOYSA-N -1 3 433.537 4.137 50 0 IIAAHM CC(C)(C)c1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)cc1 ZINC000000630528 555514678 /nfs/dbraw/zinc/51/46/78/555514678.db2.gz LCROMFQZYPODPZ-UHFFFAOYSA-N -1 3 433.537 4.137 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)c(C)c1 ZINC000002135637 555747329 /nfs/dbraw/zinc/74/73/29/555747329.db2.gz NELYRXZGSGDBEO-UHFFFAOYSA-N -1 3 445.591 4.293 50 0 IIAAHM CCOC(=O)[C@@]([O-])(c1ccc2nc(NC(=O)Nc3ccccc3)sc2c1)C(F)(F)F ZINC000002869431 555849049 /nfs/dbraw/zinc/84/90/49/555849049.db2.gz LIURNEXKLONTHV-SFHVURJKSA-N -1 3 439.415 4.253 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000002869296 555849095 /nfs/dbraw/zinc/84/90/95/555849095.db2.gz YXTSFPUPNXIGGE-UHFFFAOYSA-N -1 3 430.913 4.467 50 0 IIAAHM CCOC(=O)[C@]([N-]c1ccc(F)c(F)c1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138677 555891452 /nfs/dbraw/zinc/89/14/52/555891452.db2.gz PIWBCEJLKCCRRV-KRWDZBQOSA-N 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ZINC000032668312 556418285 /nfs/dbraw/zinc/41/82/85/556418285.db2.gz YEVQGVKMQMVBLQ-AWEZNQCLSA-N -1 3 429.519 4.215 50 0 IIAAHM COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000013141058 556486358 /nfs/dbraw/zinc/48/63/58/556486358.db2.gz RTNGHRZYUSVNQH-UHFFFAOYSA-N -1 3 444.940 4.422 50 0 IIAAHM O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000015267335 556513964 /nfs/dbraw/zinc/51/39/64/556513964.db2.gz WLPSLZVSEREBTI-UHFFFAOYSA-N -1 3 430.869 4.122 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)cc1 ZINC000033115381 556554981 /nfs/dbraw/zinc/55/49/81/556554981.db2.gz TUYKCOLIOCPXMI-UHFFFAOYSA-N -1 3 442.581 4.367 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1C ZINC000032975649 556600138 /nfs/dbraw/zinc/60/01/38/556600138.db2.gz NBRJGTMIMDAWJB-NHCUHLMSSA-N -1 3 440.565 4.088 50 0 IIAAHM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000016601560 556616784 /nfs/dbraw/zinc/61/67/84/556616784.db2.gz ATUCXNHMXNUUOF-CQSZACIVSA-N -1 3 439.375 4.477 50 0 IIAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000016753813 556638653 /nfs/dbraw/zinc/63/86/53/556638653.db2.gz RHSGFFVKOPZBHH-UHFFFAOYSA-N -1 3 442.246 4.238 50 0 IIAAHM COc1cccc(-c2cc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)c3ccccc3n2)c1 ZINC000017096390 556660151 /nfs/dbraw/zinc/66/01/51/556660151.db2.gz AJRYPFRMAPYNAT-NRFANRHFSA-N -1 3 429.398 4.383 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N3[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000017098605 556663489 /nfs/dbraw/zinc/66/34/89/556663489.db2.gz IUCRBKDKMRSVOS-IYBDPMFKSA-N -1 3 433.599 4.456 50 0 IIAAHM O=C([N-]c1cc(F)ccc1F)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088598 556858108 /nfs/dbraw/zinc/85/81/08/556858108.db2.gz DKCKGGVHZSBYLK-UHFFFAOYSA-N -1 3 425.342 4.402 50 0 IIAAHM O=C([O-])c1ccc(N2CCN(C3CCCCC3)CC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000032946726 557034327 /nfs/dbraw/zinc/03/43/27/557034327.db2.gz LIRQRQVAIRXADX-UHFFFAOYSA-N -1 3 425.504 4.231 50 0 IIAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1 ZINC000024043015 557133609 /nfs/dbraw/zinc/13/36/09/557133609.db2.gz ROPVYIDODZJOBJ-OAHLLOKOSA-N -1 3 433.382 4.032 50 0 IIAAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018061130 557233882 /nfs/dbraw/zinc/23/38/82/557233882.db2.gz FSPQQKSLNXBBCG-VSKRKVRLSA-N -1 3 434.879 4.400 50 0 IIAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000027049218 557255888 /nfs/dbraw/zinc/25/58/88/557255888.db2.gz AECANYTXEPMTGO-UHFFFAOYSA-N -1 3 446.370 4.218 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100602920 557265722 /nfs/dbraw/zinc/26/57/22/557265722.db2.gz CLDHLEJEAVKJKI-VJBWXMMDSA-N -1 3 432.451 4.276 50 0 IIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Br)cc1 ZINC000100915255 557278397 /nfs/dbraw/zinc/27/83/97/557278397.db2.gz UQSXXTBTHMZVBV-FPOVZHCZSA-N -1 3 446.304 4.232 50 0 IIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Br)cc1 ZINC000100915251 557278419 /nfs/dbraw/zinc/27/84/19/557278419.db2.gz UQSXXTBTHMZVBV-CTNGQTDRSA-N -1 3 446.304 4.232 50 0 IIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1Cl ZINC000102707147 557366880 /nfs/dbraw/zinc/36/68/80/557366880.db2.gz KIOTYXJJIYNXKL-BHDDXSALSA-N -1 3 434.879 4.405 50 0 IIAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102711493 557373625 /nfs/dbraw/zinc/37/36/25/557373625.db2.gz UNADECRQZGYGGY-RBZQAINGSA-N -1 3 444.487 4.014 50 0 IIAAHM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000102896631 557410769 /nfs/dbraw/zinc/41/07/69/557410769.db2.gz UKTKRCWHPLYNAO-RHSMWYFYSA-N -1 3 448.976 4.077 50 0 IIAAHM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000014128758 557836549 /nfs/dbraw/zinc/83/65/49/557836549.db2.gz OOUCFCQIQLLUSZ-FRQCXROJSA-N -1 3 442.890 4.293 50 0 IIAAHM CCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000001002492 568650813 /nfs/dbraw/zinc/65/08/13/568650813.db2.gz BUOCCADPFZVKHN-UHFFFAOYSA-N -1 3 428.466 4.236 50 0 IIAAHM COc1ccc(Cn2c(C)c(CNCc3ccc(OC)c(OC)c3)c(C(=O)[O-])c2C)cc1 ZINC000015777220 568823866 /nfs/dbraw/zinc/82/38/66/568823866.db2.gz LJBWVSRCUWSDNE-UHFFFAOYSA-N -1 3 438.524 4.167 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 ZINC000006250926 568837768 /nfs/dbraw/zinc/83/77/68/568837768.db2.gz PNQKLSXXEIGJCR-SYZQJQIISA-N -1 3 426.469 4.287 50 0 IIAAHM CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000015865792 568850482 /nfs/dbraw/zinc/85/04/82/568850482.db2.gz TXSOOYVTIADSMV-HXUWFJFHSA-N -1 3 428.579 4.400 50 0 IIAAHM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)c(Cl)c1 ZINC000013012953 568901268 /nfs/dbraw/zinc/90/12/68/568901268.db2.gz RZYZBPXKRXGBGS-CQSZACIVSA-N -1 3 443.352 4.011 50 0 IIAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000138572513 568909061 /nfs/dbraw/zinc/90/90/61/568909061.db2.gz FOSNTVDHSDNFAX-FDFHNCONSA-N -1 3 434.879 4.400 50 0 IIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)c1 ZINC000238950621 568910463 /nfs/dbraw/zinc/91/04/63/568910463.db2.gz ZAYSVDYPHSILKN-VAMGGRTRSA-N -1 3 440.908 4.461 50 0 IIAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)nc(N2CCCC2)n1 ZINC000064801845 568961445 /nfs/dbraw/zinc/96/14/45/568961445.db2.gz VLTJSVFJZVJTTO-UHFFFAOYSA-N -1 3 427.505 4.069 50 0 IIAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)nc(N2CCCC2)n1 ZINC000064814506 568964057 /nfs/dbraw/zinc/96/40/57/568964057.db2.gz IZQNYZMFLMYGIH-UHFFFAOYSA-N -1 3 445.495 4.208 50 0 IIAAHM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000036370438 569088497 /nfs/dbraw/zinc/08/84/97/569088497.db2.gz UKTKRCWHPLYNAO-YOEHRIQHSA-N -1 3 448.976 4.077 50 0 IIAAHM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)nc1 ZINC000065063437 569098083 /nfs/dbraw/zinc/09/80/83/569098083.db2.gz WECJJLIFUFVEFO-UHFFFAOYSA-N -1 3 425.510 4.041 50 0 IIAAHM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)cc2C1=O ZINC000065241615 569118852 /nfs/dbraw/zinc/11/88/52/569118852.db2.gz PTSMULTWIJHXCQ-UHFFFAOYSA-N -1 3 441.484 4.492 50 0 IIAAHM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2C1=O ZINC000065241574 569118869 /nfs/dbraw/zinc/11/88/69/569118869.db2.gz QDBQZOREUTXAIY-UHFFFAOYSA-N -1 3 447.875 4.447 50 0 IIAAHM Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000170626252 569148668 /nfs/dbraw/zinc/14/86/68/569148668.db2.gz HAHBQPFLLAUZGY-LJQANCHMSA-N -1 3 428.330 4.387 50 0 IIAAHM CCCc1ccc([C@@H](NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c2cccs2)cc1 ZINC000089960454 569168911 /nfs/dbraw/zinc/16/89/11/569168911.db2.gz GRZITYBQZWAXEH-BWKNWUBXSA-N -1 3 447.560 4.275 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1C ZINC000017011355 569170309 /nfs/dbraw/zinc/17/03/09/569170309.db2.gz REPKFZRZPNICOY-UHFFFAOYSA-N -1 3 436.533 4.397 50 0 IIAAHM O=C(CSc1nn(-c2ccccc2)c(=S)s1)[N-]c1nc(=O)c2ccccc2s1 ZINC000002420492 569302007 /nfs/dbraw/zinc/30/20/07/569302007.db2.gz UADNCMYGJQWFKB-UHFFFAOYSA-N -1 3 444.588 4.364 50 0 IIAAHM COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095480944 569374064 /nfs/dbraw/zinc/37/40/64/569374064.db2.gz VBVFISSNBBHXLP-MRXNPFEDSA-N -1 3 430.453 4.177 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCOc2ccc(C)cc2)S1 ZINC000020896038 569375089 /nfs/dbraw/zinc/37/50/89/569375089.db2.gz RLCRUNFILNMKNT-HXUWFJFHSA-N -1 3 447.944 4.107 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCOc2cccc(C)c2)S1 ZINC000020896050 569375153 /nfs/dbraw/zinc/37/51/53/569375153.db2.gz RSOOKXBQDVHINO-HXUWFJFHSA-N -1 3 447.944 4.107 50 0 IIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(Cl)c2F)CCO1 ZINC000096116907 569383968 /nfs/dbraw/zinc/38/39/68/569383968.db2.gz LIPUFNZYIUXJQN-MGPLVRAMSA-N -1 3 425.913 4.286 50 0 IIAAHM COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000096335873 569396615 /nfs/dbraw/zinc/39/66/15/569396615.db2.gz GSHYWTVQEMPFSL-KRWDZBQOSA-N -1 3 431.897 4.381 50 0 IIAAHM CC(C)c1ccc(CNC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1 ZINC000096399514 569400208 /nfs/dbraw/zinc/40/02/08/569400208.db2.gz NOXAVJISWXBGFQ-UHFFFAOYSA-N -1 3 449.623 4.200 50 0 IIAAHM CC[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000028323732 569409795 /nfs/dbraw/zinc/40/97/95/569409795.db2.gz JIVJMENQABSZMU-KSVHXXFXSA-N -1 3 446.034 4.017 50 0 IIAAHM CCCN(CC(=O)NC1c2ccccc2-c2ccccc21)Cc1nc2ccsc2c(=O)[n-]1 ZINC000057553857 569439794 /nfs/dbraw/zinc/43/97/94/569439794.db2.gz MBBOGEOJTWKZPX-UHFFFAOYSA-N -1 3 444.560 4.083 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccc(Cl)cc1F ZINC000003306969 569445215 /nfs/dbraw/zinc/44/52/15/569445215.db2.gz LSIKPBKWYJQJCX-UHFFFAOYSA-N -1 3 429.864 4.044 50 0 IIAAHM CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000003372657 569448570 /nfs/dbraw/zinc/44/85/70/569448570.db2.gz XPQXDDJFROJSAU-LLVKDONJSA-N -1 3 431.518 4.499 50 0 IIAAHM Cc1sc2[n-]c(CSc3nc4nc(C)cc(C)n4n3)nc(=O)c2c1-c1ccccc1 ZINC000003408851 569449979 /nfs/dbraw/zinc/44/99/79/569449979.db2.gz OZAGMXZLAPULSA-UHFFFAOYSA-N -1 3 434.550 4.307 50 0 IIAAHM COc1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OCc1ccccc1 ZINC000003679501 569456121 /nfs/dbraw/zinc/45/61/21/569456121.db2.gz KGMBSNJALLHNFO-XUZZJYLKSA-N -1 3 428.488 4.444 50 0 biogenic IIAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032097193 569459987 /nfs/dbraw/zinc/45/99/87/569459987.db2.gz MRIVEKVMRLQUOV-OAQYLSRUSA-N -1 3 448.350 4.297 50 0 IIAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000008720732 569471667 /nfs/dbraw/zinc/47/16/67/569471667.db2.gz QURMICNSGVETJB-FQEVSTJZSA-N -1 3 435.615 4.070 50 0 IIAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000040049355 569483884 /nfs/dbraw/zinc/48/38/84/569483884.db2.gz NKJACUNNHOFYPI-UHFFFAOYSA-N -1 3 441.535 4.393 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c(C)c1 ZINC000008961508 569491063 /nfs/dbraw/zinc/49/10/63/569491063.db2.gz IZIWLJOXCUGZPP-UHFFFAOYSA-N -1 3 438.505 4.495 50 0 IIAAHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CSc3nncs3)nc(=O)c12 ZINC000008980657 569493110 /nfs/dbraw/zinc/49/31/10/569493110.db2.gz NUNYQVBCMYAFGK-UHFFFAOYSA-N -1 3 443.579 4.306 50 0 IIAAHM CCCN1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(F)cccc2F)CC1 ZINC000009265360 569517377 /nfs/dbraw/zinc/51/73/77/569517377.db2.gz ZMDPHDSCCAYSTK-UHFFFAOYSA-N -1 3 427.451 4.131 50 0 IIAAHM Cc1cc2oc(=O)cc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)c2cc1C ZINC000009377675 569527515 /nfs/dbraw/zinc/52/75/15/569527515.db2.gz MBNLERLUYBZTDD-UHFFFAOYSA-N -1 3 430.489 4.124 50 0 IIAAHM Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009490631 569540258 /nfs/dbraw/zinc/54/02/58/569540258.db2.gz QKCPATSARLLGKT-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 IIAAHM Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009490631 569540259 /nfs/dbraw/zinc/54/02/59/569540259.db2.gz QKCPATSARLLGKT-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 IIAAHM CCc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)N(CC)c1cccc(C)c1 ZINC000009490754 569540304 /nfs/dbraw/zinc/54/03/04/569540304.db2.gz JSYCRDOFEWUFHJ-UHFFFAOYSA-N -1 3 447.564 4.125 50 0 IIAAHM CCc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)N(CC)c1cccc(C)c1 ZINC000009490754 569540305 /nfs/dbraw/zinc/54/03/05/569540305.db2.gz JSYCRDOFEWUFHJ-UHFFFAOYSA-N -1 3 447.564 4.125 50 0 IIAAHM Cc1ccccc1NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521229 569544408 /nfs/dbraw/zinc/54/44/08/569544408.db2.gz NJUAFIGHVXYCLS-UHFFFAOYSA-N -1 3 425.901 4.214 50 0 IIAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000009667869 569557843 /nfs/dbraw/zinc/55/78/43/569557843.db2.gz DRKCWFWPVVPCOM-UHFFFAOYSA-N -1 3 438.549 4.142 50 0 IIAAHM CC(=O)c1sc2[n-]c(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc(=O)c2c1C ZINC000009669830 569558155 /nfs/dbraw/zinc/55/81/55/569558155.db2.gz QSZPQFQROBKSSZ-UHFFFAOYSA-N -1 3 437.550 4.246 50 0 IIAAHM CN(Cc1ccccc1N1CCOCC1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008898139 132297034 /nfs/dbraw/zinc/29/70/34/132297034.db2.gz QKLGPMVOKUSDRM-UHFFFAOYSA-N -1 3 446.576 4.120 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3ccc(Cl)cc3)cc2)S1 ZINC000020895654 519643557 /nfs/dbraw/zinc/64/35/57/519643557.db2.gz UBGFBXZIGYKYRW-HXUWFJFHSA-N -1 3 447.944 4.189 50 0 IIAAHM CC(=O)NCc1ccc(-c2csc(NC(=O)c3c[n-]nc3-c3ccc(Cl)cc3)n2)o1 ZINC000022280737 519674394 /nfs/dbraw/zinc/67/43/94/519674394.db2.gz MHKOJSBIIOYNLJ-UHFFFAOYSA-N -1 3 441.900 4.335 50 0 IIAAHM CC(=O)NCc1ccc(-c2csc(NC(=O)c3cn[n-]c3-c3ccc(Cl)cc3)n2)o1 ZINC000022280737 519674397 /nfs/dbraw/zinc/67/43/97/519674397.db2.gz MHKOJSBIIOYNLJ-UHFFFAOYSA-N -1 3 441.900 4.335 50 0 IIAAHM CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1OCC ZINC000020978477 520953958 /nfs/dbraw/zinc/95/39/58/520953958.db2.gz GWPCAORPSTWTFI-UHFFFAOYSA-N -1 3 436.555 4.030 50 0 IIAAHM CCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(C)cc2)CC3)cc1 ZINC000020467772 523974187 /nfs/dbraw/zinc/97/41/87/523974187.db2.gz YBZWOJAORFGHAO-UHFFFAOYSA-N -1 3 448.592 4.342 50 0 IIAAHM CN1c2ccccc2Oc2cc(Cl)c(C(=O)Nc3ccccc3[O-])cc2S1(=O)=O ZINC000035325813 524035892 /nfs/dbraw/zinc/03/58/92/524035892.db2.gz CIBOFCSTTGIQCO-UHFFFAOYSA-N -1 3 430.869 4.229 50 0 IIAAHM COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000012605262 524433045 /nfs/dbraw/zinc/43/30/45/524433045.db2.gz HWTVYJYYANFTRW-UHFFFAOYSA-N -1 3 438.549 4.385 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1 ZINC000012532540 524691202 /nfs/dbraw/zinc/69/12/02/524691202.db2.gz FVJPXPPBXHNCAD-UHFFFAOYSA-N -1 3 428.535 4.299 50 0 IIAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)c1ccccc1 ZINC000013130439 525210728 /nfs/dbraw/zinc/21/07/28/525210728.db2.gz BPSUOTFMOPDYQM-INIZCTEOSA-N -1 3 428.941 4.310 50 0 IIAAHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)cc1F ZINC000020664718 525239506 /nfs/dbraw/zinc/23/95/06/525239506.db2.gz LTCBETTZBYKHRT-UHFFFAOYSA-N -1 3 434.439 4.143 50 0 IIAAHM Cc1noc(C)c1CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012759917 526488944 /nfs/dbraw/zinc/48/89/44/526488944.db2.gz WEZNZSPBSCCQSR-UHFFFAOYSA-N -1 3 431.489 4.111 50 0 IIAAHM Cc1noc(C)c1CN1CCN([C@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000020745105 526504203 /nfs/dbraw/zinc/50/42/03/526504203.db2.gz LSZHYOSOIFAVLY-VWLOTQADSA-N -1 3 444.535 4.383 50 0 IIAAHM O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1)NCCc1cccs1 ZINC000012776727 527030477 /nfs/dbraw/zinc/03/04/77/527030477.db2.gz CWIKFHOKLAUSAL-UHFFFAOYSA-N -1 3 447.632 4.367 50 0 IIAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1csc(-c2ccsc2)n1 ZINC000021630969 527094483 /nfs/dbraw/zinc/09/44/83/527094483.db2.gz XXYYQIBAEDYREZ-UHFFFAOYSA-N -1 3 439.518 4.343 50 0 IIAAHM Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4F)c3)ccc2o1 ZINC000012742596 527130354 /nfs/dbraw/zinc/13/03/54/527130354.db2.gz XLQHPNOXGBGHJF-UHFFFAOYSA-N -1 3 425.441 4.328 50 0 IIAAHM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1ccc(Cl)cc1 ZINC000012776827 527244802 /nfs/dbraw/zinc/24/48/02/527244802.db2.gz UAJJCBHFUALIBQ-UHFFFAOYSA-N -1 3 438.887 4.404 50 0 IIAAHM O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(CCc2ccncc2)CC1 ZINC000020713680 527656480 /nfs/dbraw/zinc/65/64/80/527656480.db2.gz JEESSFHEVPNTOM-AREMUKBSSA-N -1 3 440.547 4.216 50 0 IIAAHM COc1cccc(N2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)CC2)c1 ZINC000008687832 537124429 /nfs/dbraw/zinc/12/44/29/537124429.db2.gz VGSZCKXUYIVBAN-UHFFFAOYSA-N -1 3 432.549 4.395 50 0 aggregator IIAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001127090 555641631 /nfs/dbraw/zinc/64/16/31/555641631.db2.gz DJGYBJPIIIUPTD-UHFFFAOYSA-N -1 3 437.823 4.102 50 0 IIAAHM O=S(=O)([N-]CCSCc1ccccc1Cl)c1ccc(Br)s1 ZINC000002065735 555733425 /nfs/dbraw/zinc/73/34/25/555733425.db2.gz LPXWZDYTSCOKHD-UHFFFAOYSA-N -1 3 426.810 4.376 50 0 IIAAHM O=C(CF)[N-][C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002706942 555800722 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CCOC(=O)[C@@]([N-]c1ccc(Cl)c(F)c1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000002306277 569271893 /nfs/dbraw/zinc/27/18/93/569271893.db2.gz HXDIGVDQESJMHY-GOSISDBHSA-N -1 3 432.801 4.451 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1nc(Cl)ccc1Cl ZINC000095351024 569362040 /nfs/dbraw/zinc/36/20/40/569362040.db2.gz CKKPYBFKVRHZEU-UHFFFAOYSA-N -1 3 428.219 4.031 50 0 IIAAHM C[C@@H](NC(=O)[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1ccccc1)c1ccccc1 ZINC000020377765 569362240 /nfs/dbraw/zinc/36/22/40/569362240.db2.gz PRLGQTZJVFPEIQ-HOYKHHGWSA-N -1 3 445.544 4.132 50 0 IIAAHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC000095361091 569362291 /nfs/dbraw/zinc/36/22/91/569362291.db2.gz VPACAXPFUFUJQT-UHFFFAOYSA-N -1 3 433.508 4.426 50 0 IIAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(C)c(Cl)c3Br)c2)n1 ZINC000095444486 569367033 /nfs/dbraw/zinc/36/70/33/569367033.db2.gz IDRSOEANVWWHCA-UHFFFAOYSA-N -1 3 447.720 4.371 50 0 IIAAHM CCc1cc(C)cc(OCCOc2ccccc2[C@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 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/nfs/dbraw/zinc/45/99/33/569459933.db2.gz MRIVEKVMRLQUOV-NRFANRHFSA-N -1 3 448.350 4.297 50 0 IIAAHM O=S(=O)([N-]c1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1ccc2ccccc2c1 ZINC000038488274 569463008 /nfs/dbraw/zinc/46/30/08/569463008.db2.gz ZFBNGDATCJQXOB-UHFFFAOYSA-N -1 3 442.504 4.360 50 0 IIAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1C ZINC000008840962 569478382 /nfs/dbraw/zinc/47/83/82/569478382.db2.gz UNGLQGDOOUVPJN-UHFFFAOYSA-N -1 3 430.570 4.438 50 0 IIAAHM CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)c([O-])c(OC)c2)N3)C1 ZINC000008921719 569486883 /nfs/dbraw/zinc/48/68/83/569486883.db2.gz TVQVPOFOHNPKNC-INIZCTEOSA-N -1 3 437.905 4.059 50 0 IIAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1C ZINC000008961060 569490910 /nfs/dbraw/zinc/49/09/10/569490910.db2.gz KSCUOXUDQIMGER-UHFFFAOYSA-N -1 3 438.505 4.495 50 0 IIAAHM COCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3cccs3)nc3ccccc32)N1 ZINC000009090683 569501029 /nfs/dbraw/zinc/50/10/29/569501029.db2.gz 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CCOc1ccccc1N1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000002644466 132255657 /nfs/dbraw/zinc/25/56/57/132255657.db2.gz MSEUEOAMSXZMRW-UHFFFAOYSA-N -1 3 446.576 4.373 50 0 IIAAHM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccccc3Br)cc21 ZINC000009406950 132315602 /nfs/dbraw/zinc/31/56/02/132315602.db2.gz OWBSQUVWKUXFPO-NSHDSACASA-N -1 3 441.372 4.097 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)c(C)c1 ZINC000009406965 132315859 /nfs/dbraw/zinc/31/58/59/132315859.db2.gz BWWPZJCFUQBNQL-INIZCTEOSA-N -1 3 447.626 4.489 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCOc2ccc(Cl)cc2)S1 ZINC000020896289 519643133 /nfs/dbraw/zinc/64/31/33/519643133.db2.gz MWVFMWXDCSIDAH-HXUWFJFHSA-N -1 3 447.944 4.107 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3ccc(C)c(C)c3)cc2)S1 ZINC000020895708 519643500 /nfs/dbraw/zinc/64/35/00/519643500.db2.gz QKWLMXDDPBPYCP-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(C)CCN1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)C1=O ZINC000035887026 519654473 /nfs/dbraw/zinc/65/44/73/519654473.db2.gz BWAFSMMGSZEGFC-HNNXBMFYSA-N -1 3 436.961 4.296 50 0 IIAAHM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC(c2ccccc2[O-])=NO1 ZINC000012846358 521373594 /nfs/dbraw/zinc/37/35/94/521373594.db2.gz RPRAFUBAJCKFLI-IBGZPJMESA-N -1 3 436.489 4.429 50 0 IIAAHM CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000016751096 521703470 /nfs/dbraw/zinc/70/34/70/521703470.db2.gz VNULTAQBPCHZFZ-QGZVFWFLSA-N -1 3 444.281 4.225 50 0 IIAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)ccc1Cl ZINC000012791780 522271685 /nfs/dbraw/zinc/27/16/85/522271685.db2.gz QKIDMOBRMGJVNC-UHFFFAOYSA-N -1 3 444.940 4.100 50 0 IIAAHM CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012785794 522502590 /nfs/dbraw/zinc/50/25/90/522502590.db2.gz NRPLFGBDSGWUJI-UHFFFAOYSA-N -1 3 430.839 4.140 50 0 IIAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000012816128 523340390 /nfs/dbraw/zinc/34/03/90/523340390.db2.gz ZKCMLYMVLSARMG-NSHDSACASA-N -1 3 427.853 4.003 50 0 IIAAHM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)cc1 ZINC000021882318 523743166 /nfs/dbraw/zinc/74/31/66/523743166.db2.gz UGHHLJQKAPGOOU-UHFFFAOYSA-N -1 3 437.540 4.100 50 0 IIAAHM CCc1cc(C)cc(OCCOc2ccc([C@@H]3SC([N-]C(C)=O)=NN3C(C)=O)cc2)c1 ZINC000020895424 523786354 /nfs/dbraw/zinc/78/63/54/523786354.db2.gz LTONLWKUQHKNSZ-QFIPXVFZSA-N -1 3 441.553 4.016 50 0 IIAAHM Cc1cc(C)c2c(=O)[n-]c(S[C@@H](C)C(=O)Nc3ccc(Br)cc3)nc2n1 ZINC000012760205 524341791 /nfs/dbraw/zinc/34/17/91/524341791.db2.gz DIIDQHVQWPKIIQ-NSHDSACASA-N -1 3 433.331 4.229 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc(C)cc3)c2)cc1 ZINC000012526312 524688754 /nfs/dbraw/zinc/68/87/54/524688754.db2.gz ZYXMJZCJVSSLQB-UHFFFAOYSA-N -1 3 438.549 4.385 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1I ZINC000012383096 525088978 /nfs/dbraw/zinc/08/89/78/525088978.db2.gz PDSFCYAUOTYKCO-UHFFFAOYSA-N -1 3 431.295 4.224 50 0 IIAAHM Cc1c([O-])ccc2c(CN3CCN(Cc4csc(-c5ccccc5)n4)CC3)cc(=O)oc12 ZINC000022834414 525878872 /nfs/dbraw/zinc/87/88/72/525878872.db2.gz JNDCAHXOUDNKJT-UHFFFAOYSA-N -1 3 447.560 4.248 50 0 IIAAHM O=C(CCc1nc2ccccc2o1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012786855 526654355 /nfs/dbraw/zinc/65/43/55/526654355.db2.gz XKYGYIZSZFRORY-UHFFFAOYSA-N -1 3 439.468 4.339 50 0 IIAAHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1ccc(Br)cc1Cl ZINC000021178665 527231211 /nfs/dbraw/zinc/23/12/11/527231211.db2.gz TZYJQBKBNRTBGK-UHFFFAOYSA-N -1 3 426.666 4.182 50 0 IIAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000000653258 555523840 /nfs/dbraw/zinc/52/38/40/555523840.db2.gz OPLXCSDAUOZKDF-INIZCTEOSA-N -1 3 447.207 4.094 50 0 IIAAHM COc1ccc(C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)cc1COc1ccc(Cl)cc1 ZINC000000655828 555524742 /nfs/dbraw/zinc/52/47/42/555524742.db2.gz RQSPXSWBFMZVSG-LJQANCHMSA-N -1 3 442.821 4.400 50 0 IIAAHM CCOC(=O)c1c([N-]C(=O)c2ccc(Br)o2)sc2c1CC(C)(C)OC2 ZINC000000752941 555553551 /nfs/dbraw/zinc/55/35/51/555553551.db2.gz GAIGENRJQXZCMC-UHFFFAOYSA-N -1 3 428.304 4.384 50 0 IIAAHM Cn1cnc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Sc2ccc(Cl)cc2)c1 ZINC000001032827 555606607 /nfs/dbraw/zinc/60/66/07/555606607.db2.gz MYODKOOGSIMHAB-UHFFFAOYSA-N -1 3 428.366 4.357 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)cc1 ZINC000001167907 555664997 /nfs/dbraw/zinc/66/49/97/555664997.db2.gz KVQVEUKFLLWHHS-UHFFFAOYSA-N -1 3 428.535 4.227 50 0 IIAAHM CCOC(=O)[C@]([O-])(c1ccc(N(C)C(=O)Nc2cccc(Cl)c2)cc1)C(F)(F)F ZINC000002027010 555728056 /nfs/dbraw/zinc/72/80/56/555728056.db2.gz DUTVWHYSESZQBL-GOSISDBHSA-N -1 3 430.810 4.321 50 0 IIAAHM O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[O-])C1c3ccccc3C2(Br)c2ccccc21 ZINC000002079032 555736598 /nfs/dbraw/zinc/73/65/98/555736598.db2.gz VMHYPYGFOAEVFO-CAZKKTPXSA-N -1 3 446.300 4.295 50 0 IIAAHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000002723558 556128744 /nfs/dbraw/zinc/12/87/44/556128744.db2.gz LNKALQCKSSNYHG-UHFFFAOYSA-N -1 3 446.554 4.004 50 0 IIAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008384577 556160268 /nfs/dbraw/zinc/16/02/68/556160268.db2.gz IJKODCHCMJFGAX-RVKKMQEKSA-N -1 3 447.240 4.406 50 0 IIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000003067622 556187552 /nfs/dbraw/zinc/18/75/52/556187552.db2.gz VLFKXQZJSYWPCW-QGZVFWFLSA-N -1 3 434.773 4.436 50 0 IIAAHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1[O-] ZINC000014009058 556354137 /nfs/dbraw/zinc/35/41/37/556354137.db2.gz GIKDUOJRUFZKBU-YVLHZVERSA-N -1 3 446.912 4.428 50 0 IIAAHM CC(C)[C@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)c1ccc2c(c1)OCCCO2 ZINC000014066574 556359180 /nfs/dbraw/zinc/35/91/80/556359180.db2.gz JCNHBOUGKUMTMU-IBGZPJMESA-N -1 3 444.582 4.300 50 0 IIAAHM O=C(NCCCCc1ccccc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000014199514 556390252 /nfs/dbraw/zinc/39/02/52/556390252.db2.gz RFBBVMBLYRLIHH-UHFFFAOYSA-N -1 3 441.380 4.187 50 0 IIAAHM O=S(=O)([N-]c1ccc(Nc2ncnc3ccsc32)cc1)c1ccc2c(c1)OCCO2 ZINC000032853464 556431967 /nfs/dbraw/zinc/43/19/67/556431967.db2.gz NLXWWJZNYLUGST-UHFFFAOYSA-N -1 3 440.506 4.007 50 0 IIAAHM O=C([N-]c1nc(-c2cccs2)cs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000028954477 556464970 /nfs/dbraw/zinc/46/49/70/556464970.db2.gz VZRIMGSCECWLGU-UHFFFAOYSA-N -1 3 439.609 4.360 50 0 IIAAHM COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)Nc3nc([N-]C(=O)c4ccco4)nn32)cc1 ZINC000013127115 556475683 /nfs/dbraw/zinc/47/56/83/556475683.db2.gz SXWVMIJFJNVLDU-VQTJNVASSA-N -1 3 445.479 4.287 50 0 IIAAHM O=C(CC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000013146039 556488048 /nfs/dbraw/zinc/48/80/48/556488048.db2.gz ADEQDMAYGSRNMD-UHFFFAOYSA-N -1 3 428.897 4.352 50 0 IIAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000032975678 556600288 /nfs/dbraw/zinc/60/02/88/556600288.db2.gz JLARNNGSFSIAQE-IAGOWNOFSA-N -1 3 446.956 4.124 50 0 IIAAHM COc1cccc(CNC(=O)Cc2csc(Nc3[n-]c(=S)nc4ccccc43)n2)c1 ZINC000013496858 556613096 /nfs/dbraw/zinc/61/30/96/556613096.db2.gz BVSPQQFISIMLDG-UHFFFAOYSA-N -1 3 437.550 4.360 50 0 IIAAHM C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([O-])c(I)c2)N3)C1 ZINC000017086074 556657078 /nfs/dbraw/zinc/65/70/78/556657078.db2.gz POGOJDTWZSTBKT-ANRSDYALSA-N -1 3 440.306 4.037 50 0 IIAAHM Cc1cnc(NC(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)s1 ZINC000010628015 556682850 /nfs/dbraw/zinc/68/28/50/556682850.db2.gz LIHGFTBSGXVUSA-UHFFFAOYSA-N -1 3 425.894 4.297 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1C ZINC000013696217 556712228 /nfs/dbraw/zinc/71/22/28/556712228.db2.gz ZCCIRSVANAGLMD-UHFFFAOYSA-N -1 3 428.535 4.069 50 0 IIAAHM CCN1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Br)c3[O-])cc2)CC1 ZINC000019313635 556735549 /nfs/dbraw/zinc/73/55/49/556735549.db2.gz KSHLWTJIMMMINL-UHFFFAOYSA-N -1 3 438.753 4.202 50 0 IIAAHM CC(C)C[C@H](C)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078679 556853752 /nfs/dbraw/zinc/85/37/52/556853752.db2.gz FCNDNYLUPPHKGB-KRWDZBQOSA-N -1 3 427.520 4.333 50 0 IIAAHM CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)nc1 ZINC000033138475 556869863 /nfs/dbraw/zinc/86/98/63/556869863.db2.gz JTMISCIFQCLYKF-UHFFFAOYSA-N -1 3 441.578 4.400 50 0 IIAAHM Cc1nn(-c2cccc(F)c2)c2c1C(=C([O-])c1ccc(Br)cc1)CC(=O)N2 ZINC000046057710 557029047 /nfs/dbraw/zinc/02/90/47/557029047.db2.gz USJLTJIETPPSJN-MRXNPFEDSA-N -1 3 428.261 4.391 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 ZINC000010897030 557076409 /nfs/dbraw/zinc/07/64/09/557076409.db2.gz SYCOCFDBNGDATD-UHFFFAOYSA-N -1 3 431.583 4.235 50 0 IIAAHM COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(Cl)c1OCC(C)C ZINC000024886501 557181029 /nfs/dbraw/zinc/18/10/29/557181029.db2.gz KPWJXTXCRNNZDL-UHFFFAOYSA-N -1 3 426.922 4.007 50 0 IIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Br)cc1 ZINC000100915252 557278416 /nfs/dbraw/zinc/27/84/16/557278416.db2.gz UQSXXTBTHMZVBV-PZJWPPBQSA-N -1 3 446.304 4.232 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1C ZINC000102289029 557317768 /nfs/dbraw/zinc/31/77/68/557317768.db2.gz NBRJGTMIMDAWJB-OYRHEFFESA-N -1 3 440.565 4.088 50 0 IIAAHM COc1cc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc(OC)c1OC ZINC000102748433 557378900 /nfs/dbraw/zinc/37/89/00/557378900.db2.gz RMCXQTFJWULODM-NSPYISDASA-N -1 3 438.440 4.317 50 0 IIAAHM COc1cc(OC)c([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc1OC ZINC000102750343 557382547 /nfs/dbraw/zinc/38/25/47/557382547.db2.gz LXEUJDXWEIOABN-GIPWTMENSA-N -1 3 438.440 4.317 50 0 IIAAHM COCc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000028055534 557643239 /nfs/dbraw/zinc/64/32/39/557643239.db2.gz ZTHCISRVGSHQIB-UHFFFAOYSA-N -1 3 439.158 4.381 50 0 IIAAHM CCN1Cc2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000225701376 557766642 /nfs/dbraw/zinc/76/66/42/557766642.db2.gz AQZRBHVNAOBWEX-UHFFFAOYSA-N -1 3 439.512 4.214 50 0 IIAAHM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(C)n1C ZINC000009685340 562975497 /nfs/dbraw/zinc/97/54/97/562975497.db2.gz QJDVOMDNBMNOMJ-UHFFFAOYSA-N -1 3 437.993 4.421 50 0 IIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc(N2CCCCC2)n1 ZINC000015671347 568802935 /nfs/dbraw/zinc/80/29/35/568802935.db2.gz DIUIBJQWDLIGKW-UHFFFAOYSA-N -1 3 441.532 4.459 50 0 IIAAHM COc1ccc(N2OC3=C([O-])N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000239275138 568910957 /nfs/dbraw/zinc/91/09/57/568910957.db2.gz BFWHVTSVWUKBED-VSKRKVRLSA-N -1 3 434.879 4.400 50 0 IIAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc4ccccc4c3C[S@@](C)=O)c2)n1 ZINC000089568367 568937845 /nfs/dbraw/zinc/93/78/45/568937845.db2.gz HRIVIAKBYAWTFY-PMERELPUSA-N -1 3 437.546 4.091 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)c(Br)cc1Br ZINC000054362968 568940760 /nfs/dbraw/zinc/94/07/60/568940760.db2.gz HOYPAHGNUGQUHX-NOZJJQNGSA-N -1 3 425.186 4.377 50 0 IIAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000064930817 568989316 /nfs/dbraw/zinc/98/93/16/568989316.db2.gz TZGSPSQEGCSAIX-INIZCTEOSA-N -1 3 429.452 4.438 50 0 IIAAHM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3F)cc2C1=O ZINC000065241580 569118883 /nfs/dbraw/zinc/11/88/83/569118883.db2.gz CZTGNMOPUXHOOA-UHFFFAOYSA-N -1 3 427.457 4.102 50 0 IIAAHM O=S(=O)([N-]C1(c2nc(-c3ccsc3)no2)CCCCC1)c1ccc(F)c(F)c1 ZINC000089773087 569162513 /nfs/dbraw/zinc/16/25/13/569162513.db2.gz AZVORAVIAQJROC-UHFFFAOYSA-N -1 3 425.482 4.214 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c(C)c1 ZINC000016994305 569169846 /nfs/dbraw/zinc/16/98/46/569169846.db2.gz JQEWYYLRRSOCRD-UHFFFAOYSA-N -1 3 425.558 4.321 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccc(F)cc1F ZINC000017169479 569175279 /nfs/dbraw/zinc/17/52/79/569175279.db2.gz ZODXKBBSTAGKQN-UHFFFAOYSA-N -1 3 447.854 4.184 50 0 IIAAHM COc1cc(-c2oc3c(Br)cc(Br)cc3c(=O)c2[O-])ccc1O ZINC000094992570 569193975 /nfs/dbraw/zinc/19/39/75/569193975.db2.gz NZIPCAWRYXNQPV-UHFFFAOYSA-N -1 3 442.059 4.405 50 0 IIAAHM COc1cc(OC)cc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000027527513 569263173 /nfs/dbraw/zinc/26/31/73/569263173.db2.gz QRANSSGZVPIDDZ-UHFFFAOYSA-N -1 3 435.867 4.118 50 0 IIAAHM CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000002363662 569287795 /nfs/dbraw/zinc/28/77/95/569287795.db2.gz FWQLBYPFHHUGON-KXBFYZLASA-N -1 3 431.558 4.281 50 0 IIAAHM COC(=O)C[C@H](c1cccc(O)c1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095475717 569372789 /nfs/dbraw/zinc/37/27/89/569372789.db2.gz HXRGDHKFVMYEJO-MRXNPFEDSA-N -1 3 430.453 4.177 50 0 IIAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc(F)c(F)c1F ZINC000002625869 569411648 /nfs/dbraw/zinc/41/16/48/569411648.db2.gz CXIYUXYJGBZBBT-UHFFFAOYSA-N -1 3 428.823 4.185 50 0 IIAAHM Cc1c(C(=O)[N-]c2c(F)cccc2F)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002911226 569424891 /nfs/dbraw/zinc/42/48/91/569424891.db2.gz LPYMBJSPSUCKMR-UHFFFAOYSA-N -1 3 429.423 4.484 50 0 IIAAHM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000003176600 569441268 /nfs/dbraw/zinc/44/12/68/569441268.db2.gz KKNYZTWOUIEPSH-UHFFFAOYSA-N -1 3 446.912 4.167 50 0 IIAAHM Cc1nc(COC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)cs1 ZINC000003357529 569447732 /nfs/dbraw/zinc/44/77/32/569447732.db2.gz LNSRGLCLSHIXSL-UHFFFAOYSA-N -1 3 437.370 4.050 50 0 IIAAHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000003456588 569451856 /nfs/dbraw/zinc/45/18/56/569451856.db2.gz INQOFWKRQBHKNO-UHFFFAOYSA-N -1 3 439.971 4.140 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)c(C)c1 ZINC000008977505 569493045 /nfs/dbraw/zinc/49/30/45/569493045.db2.gz JQUOMSNABMIRJD-UHFFFAOYSA-N -1 3 436.533 4.003 50 0 IIAAHM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2OCC(C)(C)C1=O ZINC000009167750 569509062 /nfs/dbraw/zinc/50/90/62/569509062.db2.gz BMVJGJBRTZQUEG-UHFFFAOYSA-N -1 3 446.569 4.274 50 0 IIAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC)c(C)c3)cc2OCC(C)(C)C1=O ZINC000009167744 569509100 /nfs/dbraw/zinc/50/91/00/569509100.db2.gz 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O=c1[n-]c(-c2cc3cc(Br)ccc3oc2=O)nc2sc3c(c21)CCCC3 ZINC000000751803 569577620 /nfs/dbraw/zinc/57/76/20/569577620.db2.gz MJFKGSHQOHWNTB-UHFFFAOYSA-N -1 3 429.295 4.399 50 0 IIAAHM O=C(Nc1ccccc1[O-])C1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000009155606 132307131 /nfs/dbraw/zinc/30/71/31/132307131.db2.gz NGKAXVMYPSYFRH-UHFFFAOYSA-N -1 3 425.492 4.253 50 0 IIAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000012854948 520863371 /nfs/dbraw/zinc/86/33/71/520863371.db2.gz UORHXFSLDTZULL-LJQANCHMSA-N -1 3 440.359 4.286 50 0 IIAAHM Cc1cc(C)c2c(=O)[n-]c(S[C@H](C)C(=O)Nc3ccc(Br)cc3)nc2n1 ZINC000012760201 524342259 /nfs/dbraw/zinc/34/22/59/524342259.db2.gz DIIDQHVQWPKIIQ-LLVKDONJSA-N -1 3 433.331 4.229 50 0 IIAAHM C[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1cccnc1Cl ZINC000012507909 525708452 /nfs/dbraw/zinc/70/84/52/525708452.db2.gz XUEWUWYXAIRXGK-CYBMUJFWSA-N -1 3 448.907 4.114 50 0 IIAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 ZINC000012551428 527372670 /nfs/dbraw/zinc/37/26/70/527372670.db2.gz KJACBQRLROPFBN-UHFFFAOYSA-N -1 3 430.869 4.122 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)cc1 ZINC000000674254 555533122 /nfs/dbraw/zinc/53/31/22/555533122.db2.gz TVUQWIKZDAKMEZ-UHFFFAOYSA-N -1 3 440.521 4.212 50 0 IIAAHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000002879428 555854315 /nfs/dbraw/zinc/85/43/15/555854315.db2.gz HMWVQWDDSGMRTG-UHFFFAOYSA-N -1 3 446.525 4.366 50 0 IIAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003062697 555883970 /nfs/dbraw/zinc/88/39/70/555883970.db2.gz HBLNFATUEDJFBD-SFHVURJKSA-N -1 3 430.810 4.321 50 0 IIAAHM CCOC(=O)[C@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003103370 555886967 /nfs/dbraw/zinc/88/69/67/555886967.db2.gz GAFYOMSHIKXZJT-SFHVURJKSA-N -1 3 432.801 4.072 50 0 IIAAHM O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000014135520 556374900 /nfs/dbraw/zinc/37/49/00/556374900.db2.gz AUINKGJZMMKURY-KRWDZBQOSA-N 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O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)c3c(F)cccc3F)CC2)s1 ZINC000033272963 557052792 /nfs/dbraw/zinc/05/27/92/557052792.db2.gz JXOSWWXAVNKCMC-UHFFFAOYSA-N -1 3 446.454 4.228 50 0 IIAAHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)N2CCCC2)cc1 ZINC000023994209 557130537 /nfs/dbraw/zinc/13/05/37/557130537.db2.gz LXVIOKKPYJIXEV-SFHVURJKSA-N -1 3 429.369 4.117 50 0 IIAAHM CN(Cc1ccccc1)[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000725241114 557133594 /nfs/dbraw/zinc/13/35/94/557133594.db2.gz XXTJGHQEWVWSBD-DEOSSOPVSA-N -1 3 430.504 4.110 50 0 IIAAHM COc1ccc(-c2csc(N3N=C4c5ccccc5C[C@@H]4[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000016957558 557158739 /nfs/dbraw/zinc/15/87/39/557158739.db2.gz ANGZXRXOAHCFFY-OXJNMPFZSA-N -1 3 431.439 4.466 50 0 IIAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4cccc(Cl)c4Cl)s3)nc2n1 ZINC000024839829 557167980 /nfs/dbraw/zinc/16/79/80/557167980.db2.gz ZEWVYHGZSCADCB-UHFFFAOYSA-N -1 3 433.324 4.348 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NC1CCCCCC1 ZINC000025066083 557193884 /nfs/dbraw/zinc/19/38/84/557193884.db2.gz XQIQPOFVJXXZCO-CYBMUJFWSA-N -1 3 445.976 4.494 50 0 IIAAHM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000100903777 557199587 /nfs/dbraw/zinc/19/95/87/557199587.db2.gz MFSMPUMKCVWGSF-HIFRSBDPSA-N -1 3 440.080 4.048 50 0 IIAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1cccc(Br)c1 ZINC000101040495 557215107 /nfs/dbraw/zinc/21/51/07/557215107.db2.gz PHEBGPCTWJFKSU-HIFRSBDPSA-N -1 3 440.080 4.048 50 0 IIAAHM CCOc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1 ZINC000027663693 557269778 /nfs/dbraw/zinc/26/97/78/557269778.db2.gz BWSYLARTZLAPRZ-UHFFFAOYSA-N -1 3 443.506 4.006 50 0 IIAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1cccc(C)c1C)c1nc(C)cs1 ZINC000102905710 557411613 /nfs/dbraw/zinc/41/16/13/557411613.db2.gz RIESQFHQEOCAIS-SFHVURJKSA-N -1 3 429.567 4.262 50 0 IIAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000063304811 568738571 /nfs/dbraw/zinc/73/85/71/568738571.db2.gz NQAPDAFECVWCSX-UHFFFAOYSA-N -1 3 448.500 4.463 50 0 IIAAHM Cn1nc(C(F)(F)F)c(C[N-]S(=O)(=O)c2ccccc2Cl)c1Oc1ccccc1 ZINC000001402141 568786677 /nfs/dbraw/zinc/78/66/77/568786677.db2.gz GGKGKDPIMWAFKZ-UHFFFAOYSA-N -1 3 445.850 4.363 50 0 IIAAHM O=C([N-]c1snnc1C(=O)OC1CCCCC1)Nc1ccc(Br)cc1 ZINC000001416979 568790825 /nfs/dbraw/zinc/79/08/25/568790825.db2.gz JHASMPVPAUPHCI-UHFFFAOYSA-N -1 3 425.308 4.434 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCOc2ccccc2C)S1 ZINC000015832964 568842564 /nfs/dbraw/zinc/84/25/64/568842564.db2.gz QTSKJLZPDVDDIV-FQEVSTJZSA-N -1 3 447.944 4.107 50 0 IIAAHM COc1ccccc1-c1csc2[n-]c(CN(C[C@H](O)c3ccccc3)C3CC3)nc(=O)c12 ZINC000036206560 568973203 /nfs/dbraw/zinc/97/32/03/568973203.db2.gz UHFKUCUKDDPMKF-FQEVSTJZSA-N -1 3 447.560 4.358 50 0 IIAAHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C(=O)NC(C)C)cn2)cc1 ZINC000065063550 569097663 /nfs/dbraw/zinc/09/76/63/569097663.db2.gz DVLMGEWKFAANAO-UHFFFAOYSA-N -1 3 425.510 4.121 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3nc4ccccc4n4cnnc34)cc2)ccc1F ZINC000065096396 569103557 /nfs/dbraw/zinc/10/35/57/569103557.db2.gz DMWHDCXVICBZCR-UHFFFAOYSA-N -1 3 449.467 4.318 50 0 IIAAHM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000065116379 569107298 /nfs/dbraw/zinc/10/72/98/569107298.db2.gz SVGFWXAMYOERGR-UHFFFAOYSA-N -1 3 431.489 4.419 50 0 IIAAHM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2C1=O ZINC000065241604 569118873 /nfs/dbraw/zinc/11/88/73/569118873.db2.gz HFCSKZCVQAPGRL-UHFFFAOYSA-N -1 3 427.457 4.184 50 0 IIAAHM O=S(=O)([N-]Cc1ccc([C@H](O)c2ccccc2)s1)c1ccc(Br)s1 ZINC000207972134 569145714 /nfs/dbraw/zinc/14/57/14/569145714.db2.gz ZCKKUEQCYZIXIH-MRXNPFEDSA-N -1 3 444.397 4.132 50 0 IIAAHM O=C(NCCOc1cccc2ccccc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000170626256 569148639 /nfs/dbraw/zinc/14/86/39/569148639.db2.gz VLYOTPDNTSYJKT-UHFFFAOYSA-N -1 3 437.293 4.253 50 0 IIAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)c2ccc(Cl)cc2Cl)oc(C)c1C(C)=O ZINC000009869604 569149295 /nfs/dbraw/zinc/14/92/95/569149295.db2.gz DRJYXFVPEPYTBU-UHFFFAOYSA-N -1 3 442.251 4.070 50 0 IIAAHM CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000089917373 569167669 /nfs/dbraw/zinc/16/76/69/569167669.db2.gz QJSCXCPLDREJRI-UHFFFAOYSA-N -1 3 443.529 4.277 50 0 IIAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)cc3)nn2)n1 ZINC000013010036 569306754 /nfs/dbraw/zinc/30/67/54/569306754.db2.gz SHUWMUQWNUYYKI-UHFFFAOYSA-N -1 3 448.552 4.440 50 0 IIAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000096117039 569383896 /nfs/dbraw/zinc/38/38/96/569383896.db2.gz OYPAUCQLPJLRSF-HNNXBMFYSA-N -1 3 440.388 4.194 50 0 IIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc3ccccc3n(C)c2=O)S1 ZINC000096117284 569384122 /nfs/dbraw/zinc/38/41/22/569384122.db2.gz PRUWJVJQVNMZJR-HNAYVOBHSA-N -1 3 438.553 4.045 50 0 IIAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)cc2O1 ZINC000096221643 569387072 /nfs/dbraw/zinc/38/70/72/569387072.db2.gz SJIPHDYGTZDAMT-GOSISDBHSA-N -1 3 434.492 4.190 50 0 biogenic IIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2C)c1 ZINC000230043384 569418916 /nfs/dbraw/zinc/41/89/16/569418916.db2.gz VFKCYELEJVTKDB-RBZQAINGSA-N -1 3 428.488 4.363 50 0 IIAAHM CCCn1c(=O)c2cc([O-])ccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000003228268 569442261 /nfs/dbraw/zinc/44/22/61/569442261.db2.gz GWRIKDFBFQFPHG-UHFFFAOYSA-N -1 3 437.443 4.262 50 0 IIAAHM CN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000003571112 569454236 /nfs/dbraw/zinc/45/42/36/569454236.db2.gz PLAYYHIQTMFILK-UHFFFAOYSA-N -1 3 438.940 4.376 50 0 IIAAHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1OC ZINC000008720249 569471563 /nfs/dbraw/zinc/47/15/63/569471563.db2.gz NOFIKYPUHUFBMY-UHFFFAOYSA-N -1 3 440.521 4.374 50 0 IIAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 ZINC000008840875 569478402 /nfs/dbraw/zinc/47/84/02/569478402.db2.gz WQDCUVIIWVQYPP-UHFFFAOYSA-N -1 3 443.569 4.080 50 0 IIAAHM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000040135012 569490615 /nfs/dbraw/zinc/49/06/15/569490615.db2.gz JZYBHIRAXMMXBD-UHFFFAOYSA-N -1 3 443.750 4.339 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)ccc1F ZINC000009172764 569509530 /nfs/dbraw/zinc/50/95/30/569509530.db2.gz AOBKVCOHLPDULY-UHFFFAOYSA-N -1 3 434.533 4.343 50 0 IIAAHM Cc1ccccc1[C@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)c1ccccc1 ZINC000009260428 569516946 /nfs/dbraw/zinc/51/69/46/569516946.db2.gz DYCJWVKXDYHKRW-HSZRJFAPSA-N -1 3 433.533 4.358 50 0 IIAAHM Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C4CC4)c3)cc2)cs1 ZINC000009577833 569548240 /nfs/dbraw/zinc/54/82/40/569548240.db2.gz WSZRRALWCWEUFA-UHFFFAOYSA-N -1 3 447.969 4.465 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccco1 ZINC000009594520 569550564 /nfs/dbraw/zinc/55/05/64/569550564.db2.gz MZONRPRPYPAYIM-GUDVDZBRSA-N -1 3 439.265 4.093 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000009641317 569555661 /nfs/dbraw/zinc/55/56/61/569555661.db2.gz XKBZLZRLLCGKGD-UHFFFAOYSA-N -1 3 447.564 4.421 50 0 IIAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c1 ZINC000009667868 569557866 /nfs/dbraw/zinc/55/78/66/569557866.db2.gz NFHCVLQFYHBXTL-UHFFFAOYSA-N -1 3 442.581 4.490 50 0 IIAAHM O=c1[nH]c(CSc2nnc([N-]c3ccccc3F)s2)nc2sc3c(c21)CCC3 ZINC000009833961 569570513 /nfs/dbraw/zinc/57/05/13/569570513.db2.gz UAHSXELSAZVOBE-UHFFFAOYSA-N -1 3 431.543 4.500 50 0 IIAAHM Cc1ccc(-c2cc([N-]C(=O)CNc3ccccc3C(=O)NCc3ccco3)on2)cc1 ZINC000009913864 569573335 /nfs/dbraw/zinc/57/33/35/569573335.db2.gz LDSIGNWQFQTIRG-UHFFFAOYSA-N -1 3 430.464 4.224 50 0 IIAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccccc1C(=O)NC1CC1 ZINC000010316588 569580882 /nfs/dbraw/zinc/58/08/82/569580882.db2.gz ADGKNHKIVBFMHT-UHFFFAOYSA-N -1 3 443.529 4.044 50 0 IIAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1)N1CCCc2ccccc21 ZINC000003329539 132263922 /nfs/dbraw/zinc/26/39/22/132263922.db2.gz SFMYMJGUYVIQEY-UHFFFAOYSA-N -1 3 430.913 4.005 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000012368330 521348308 /nfs/dbraw/zinc/34/83/08/521348308.db2.gz KBHCRQNZQKVUJZ-GOSISDBHSA-N -1 3 432.801 4.451 50 0 IIAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1cc(-c3ccc4c(c3)OCCO4)on1)CCC2 ZINC000021786224 521418521 /nfs/dbraw/zinc/41/85/21/521418521.db2.gz HFQVAXNSHIVVNR-UHFFFAOYSA-N -1 3 440.477 4.092 50 0 IIAAHM COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000012588113 524361558 /nfs/dbraw/zinc/36/15/58/524361558.db2.gz MTYBPTSORRTHHA-UHFFFAOYSA-N -1 3 440.931 4.340 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cccs3)c2)cc1 ZINC000012535938 524689565 /nfs/dbraw/zinc/68/95/65/524689565.db2.gz JIGSVIZTKZBUCE-UHFFFAOYSA-N -1 3 430.551 4.138 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(C)c1 ZINC000012180358 525086974 /nfs/dbraw/zinc/08/69/74/525086974.db2.gz XNWHHFBWBWOXAW-UHFFFAOYSA-N -1 3 436.533 4.397 50 0 IIAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)c1ccccc1 ZINC000013130437 525326618 /nfs/dbraw/zinc/32/66/18/525326618.db2.gz BPSUOTFMOPDYQM-MRXNPFEDSA-N -1 3 428.941 4.310 50 0 IIAAHM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4cc(C)c(C)cc4C)c3)cn2n1 ZINC000012441322 525655823 /nfs/dbraw/zinc/65/58/23/525655823.db2.gz AOXGWLXQHMULPX-UHFFFAOYSA-N -1 3 436.537 4.439 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(F)c(F)c1F ZINC000012784711 526002413 /nfs/dbraw/zinc/00/24/13/526002413.db2.gz JWASAAKKIHUFQR-SNVBAGLBSA-N -1 3 445.426 4.058 50 0 IIAAHM C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012605319 526004869 /nfs/dbraw/zinc/00/48/69/526004869.db2.gz IFFPRNALSHYOGG-SECBINFHSA-N -1 3 438.880 4.489 50 0 IIAAHM O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1)NCc1ccccc1F ZINC000012755777 527030017 /nfs/dbraw/zinc/03/00/17/527030017.db2.gz WAXKQSAMVMLUCI-UHFFFAOYSA-N -1 3 445.566 4.402 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)Nc1cc(F)cc(F)c1 ZINC000012745131 527056221 /nfs/dbraw/zinc/05/62/21/527056221.db2.gz VRHOZWXANCKWDX-UHFFFAOYSA-N -1 3 447.854 4.184 50 0 IIAAHM O=S(=O)([N-]C[C@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000022767502 527226740 /nfs/dbraw/zinc/22/67/40/527226740.db2.gz CMAQEORSIYDGAF-HXUWFJFHSA-N -1 3 434.533 4.104 50 0 IIAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(OC)c1)C(F)(F)F ZINC000002339699 555770164 /nfs/dbraw/zinc/77/01/64/555770164.db2.gz FGOUSEKUZUMTAH-OAQYLSRUSA-N -1 3 448.397 4.415 50 0 IIAAHM CCCOC(=O)c1c([N-]C(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CCCC2 ZINC000002489061 555784134 /nfs/dbraw/zinc/78/41/34/555784134.db2.gz OBRYRFAGIHJZOD-UHFFFAOYSA-N -1 3 449.483 4.130 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1cccc(C(C)=O)c1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103417 555887315 /nfs/dbraw/zinc/88/73/15/555887315.db2.gz UEXQHFNXEXUPSP-LJQANCHMSA-N -1 3 442.821 4.206 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000006142473 556077462 /nfs/dbraw/zinc/07/74/62/556077462.db2.gz CLDHLEJEAVKJKI-VABKMULXSA-N -1 3 432.451 4.276 50 0 IIAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000003067621 556187614 /nfs/dbraw/zinc/18/76/14/556187614.db2.gz VLFKXQZJSYWPCW-KRWDZBQOSA-N -1 3 434.773 4.436 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000013811332 556312565 /nfs/dbraw/zinc/31/25/65/556312565.db2.gz ZDTSWYWUPWCDBR-PWRODBHTSA-N -1 3 448.862 4.089 50 0 IIAAHM Cc1nc(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)sc1CC(N)=O ZINC000028937615 556464483 /nfs/dbraw/zinc/46/44/83/556464483.db2.gz QZQGKBQUMWBRQL-SECBINFHSA-N -1 3 448.620 4.359 50 0 IIAAHM COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000013122740 556474866 /nfs/dbraw/zinc/47/48/66/556474866.db2.gz PNLDAACTMMOHLJ-OALUTQOASA-N -1 3 433.443 4.417 50 0 IIAAHM C[C@H](Sc1nnnn1Cc1cccs1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000029592606 556478213 /nfs/dbraw/zinc/47/82/13/556478213.db2.gz HJWYJIBTCYJFCC-JTQLQIEISA-N -1 3 442.551 4.194 50 0 IIAAHM Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000030019607 556489559 /nfs/dbraw/zinc/48/95/59/556489559.db2.gz RRXKHHCOSCCKLD-FQEVSTJZSA-N -1 3 442.924 4.391 50 0 IIAAHM CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000013618037 556535947 /nfs/dbraw/zinc/53/59/47/556535947.db2.gz APDVGRBZNXOVEU-XGHQBKJUSA-N -1 3 438.421 4.227 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(C(C)C)s3)c2)cc1 ZINC000032902704 556540572 /nfs/dbraw/zinc/54/05/72/556540572.db2.gz CNPDEJNVOOWWDR-UHFFFAOYSA-N -1 3 446.554 4.032 50 0 IIAAHM CCc1ccc(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000003389775 556814046 /nfs/dbraw/zinc/81/40/46/556814046.db2.gz SGWNCCKUOKPZHT-UHFFFAOYSA-N -1 3 437.945 4.019 50 0 IIAAHM O=C([O-])c1ccc(N2CCN(C3CCCCC3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000032946805 557034975 /nfs/dbraw/zinc/03/49/75/557034975.db2.gz KQUCELBHDSFLGK-UHFFFAOYSA-N -1 3 425.504 4.231 50 0 IIAAHM Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c1 ZINC000033331746 557115633 /nfs/dbraw/zinc/11/56/33/557115633.db2.gz HVRLNALJVVBMJR-UHFFFAOYSA-N -1 3 434.565 4.088 50 0 IIAAHM CS(=O)(=O)[N-]c1cc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)ccc1F ZINC000032908035 557317475 /nfs/dbraw/zinc/31/74/75/557317475.db2.gz GTASKXBRCMAMQR-NTEUORMPSA-N -1 3 440.496 4.428 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)c(C)c1 ZINC000033122272 557324527 /nfs/dbraw/zinc/32/45/27/557324527.db2.gz DCGALNLDXAXFCI-UHFFFAOYSA-N -1 3 439.566 4.310 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000102663057 557362056 /nfs/dbraw/zinc/36/20/56/557362056.db2.gz AWTVSNZKEXJBJA-KMDXXIMOSA-N -1 3 428.488 4.445 50 0 IIAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000102704656 557366159 /nfs/dbraw/zinc/36/61/59/557366159.db2.gz FOSNTVDHSDNFAX-BHDDXSALSA-N -1 3 434.879 4.400 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000102707086 557366773 /nfs/dbraw/zinc/36/67/73/557366773.db2.gz MSOIFKSYWYSVLK-KMDXXIMOSA-N -1 3 444.487 4.145 50 0 IIAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CCCCCC3)c2)cc1 ZINC000003022544 562931740 /nfs/dbraw/zinc/93/17/40/562931740.db2.gz IRFPXDDLSVHQOL-UHFFFAOYSA-N -1 3 434.533 4.478 50 0 IIAAHM COc1ccc(CNC(=O)Cc2csc(Nc3[n-]c(=S)nc4ccccc43)n2)cc1 ZINC000008672464 562961069 /nfs/dbraw/zinc/96/10/69/562961069.db2.gz UTIFEQYFNADXML-UHFFFAOYSA-N -1 3 437.550 4.360 50 0 aggregator IIAAHM COc1cccc(OC)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000009540065 562973096 /nfs/dbraw/zinc/97/30/96/562973096.db2.gz BKMNMVZVZODTOV-UHFFFAOYSA-N -1 3 446.912 4.410 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCc3cnc(Cl)s3)cc2)cc1OC ZINC000001402034 568786608 /nfs/dbraw/zinc/78/66/08/568786608.db2.gz OCMDYTQNUKBENO-UHFFFAOYSA-N -1 3 440.930 4.194 50 0 IIAAHM O=C([N-]c1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1)c1cccs1 ZINC000025901142 568791044 /nfs/dbraw/zinc/79/10/44/568791044.db2.gz QQXIQJRCXYNPJF-UHFFFAOYSA-N -1 3 448.378 4.175 50 0 IIAAHM O=C(Oc1ccc(N2CCCC2=O)cc1)c1[n-]nc(-c2ccccc2)c1Br ZINC000084558700 568798833 /nfs/dbraw/zinc/79/88/33/568798833.db2.gz BXYNRGRRBYBXKF-UHFFFAOYSA-N -1 3 426.270 4.185 50 0 IIAAHM O=C(Oc1ccc(N2CCCC2=O)cc1)c1n[n-]c(-c2ccccc2)c1Br ZINC000084558700 568798834 /nfs/dbraw/zinc/79/88/34/568798834.db2.gz BXYNRGRRBYBXKF-UHFFFAOYSA-N -1 3 426.270 4.185 50 0 IIAAHM COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000085875400 568838195 /nfs/dbraw/zinc/83/81/95/568838195.db2.gz JQEUIBOVVXOKSZ-KRWDZBQOSA-N -1 3 440.473 4.061 50 0 biogenic IIAAHM COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000085878543 568838503 /nfs/dbraw/zinc/83/85/03/568838503.db2.gz BRIFMAMZWZDHRM-QGZVFWFLSA-N -1 3 442.489 4.047 50 0 biogenic IIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc([C@@H](O)c2cccs2)s1 ZINC000090613700 568892371 /nfs/dbraw/zinc/89/23/71/568892371.db2.gz AXTQAOWFDFWUNJ-KRWDZBQOSA-N -1 3 429.972 4.032 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000245311675 568914547 /nfs/dbraw/zinc/91/45/47/568914547.db2.gz PYZFNPKDFMBVOX-HBMCJLEFSA-N -1 3 448.862 4.089 50 0 IIAAHM Cc1ccc(C)c(-c2csc3[n-]c(CN(C[C@@H](O)COC(C)C)C4CC4)nc(=O)c23)c1 ZINC000036206522 568973001 /nfs/dbraw/zinc/97/30/01/568973001.db2.gz SBWCBKMBKCLEJR-GOSISDBHSA-N -1 3 441.597 4.019 50 0 IIAAHM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000036370437 569088480 /nfs/dbraw/zinc/08/84/80/569088480.db2.gz UKTKRCWHPLYNAO-WMLDXEAASA-N -1 3 448.976 4.077 50 0 IIAAHM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000065020921 569088691 /nfs/dbraw/zinc/08/86/91/569088691.db2.gz MTHPVSBIVFAFQA-UHFFFAOYSA-N -1 3 428.432 4.030 50 0 IIAAHM O=S(=O)([N-]CCCCN1CCO[C@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000036700357 569135297 /nfs/dbraw/zinc/13/52/97/569135297.db2.gz WBGZEABEKPQTBZ-IBGZPJMESA-N -1 3 443.396 4.125 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]C[C@](O)(c2ccoc2)c2cccs2)c(Cl)cc1Cl ZINC000239846373 569140014 /nfs/dbraw/zinc/14/00/14/569140014.db2.gz LCSHAOIITWCBJV-KRWDZBQOSA-N -1 3 432.350 4.171 50 0 IIAAHM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000017013910 569170874 /nfs/dbraw/zinc/17/08/74/569170874.db2.gz ZSJQLESNQJPSEL-UHFFFAOYSA-N -1 3 441.532 4.459 50 0 IIAAHM Cc1cc(C)n(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3)nn2)n1 ZINC000013010139 569306763 /nfs/dbraw/zinc/30/67/63/569306763.db2.gz RWEUIJHBWCRNHA-UHFFFAOYSA-N -1 3 448.552 4.440 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1Br ZINC000019309230 569317698 /nfs/dbraw/zinc/31/76/98/569317698.db2.gz YACMOYWQTCBZCN-UHFFFAOYSA-N -1 3 426.119 4.148 50 0 IIAAHM C[C@H](NC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1ccccc1)c1ccccc1 ZINC000020377761 569362228 /nfs/dbraw/zinc/36/22/28/569362228.db2.gz PRLGQTZJVFPEIQ-UUOWRZLLSA-N -1 3 445.544 4.132 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(Br)cc2Br)ccc1F ZINC000095457195 569368944 /nfs/dbraw/zinc/36/89/44/569368944.db2.gz YZVMQFYSOQWGJN-UHFFFAOYSA-N -1 3 438.116 4.163 50 0 IIAAHM Cc1cccc([O-])c1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000095458465 569369231 /nfs/dbraw/zinc/36/92/31/569369231.db2.gz YPDFYMIUJOBEET-UHFFFAOYSA-N -1 3 429.567 4.139 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCOc2cccc(C)c2)S1 ZINC000020896053 569375108 /nfs/dbraw/zinc/37/51/08/569375108.db2.gz RSOOKXBQDVHINO-FQEVSTJZSA-N -1 3 447.944 4.107 50 0 IIAAHM Cc1cccc(N2CCN(CCCOc3cc([O-])c4c(c3)OC(C)(C)CC4=O)CC2)c1C ZINC000096028225 569380946 /nfs/dbraw/zinc/38/09/46/569380946.db2.gz GYOVPNAXLWXTBN-UHFFFAOYSA-N -1 3 438.568 4.344 50 0 IIAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1cccc(OC(F)F)c1)SCC(=O)N2 ZINC000096116986 569384032 /nfs/dbraw/zinc/38/40/32/569384032.db2.gz IHWYKGHTAYDATJ-HNNXBMFYSA-N -1 3 427.498 4.033 50 0 IIAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1ccc(C)c(F)c1)C3 ZINC000096326909 569396287 /nfs/dbraw/zinc/39/62/87/569396287.db2.gz MWZJZKDUJFTDLO-UHFFFAOYSA-N -1 3 429.879 4.047 50 0 IIAAHM CN(C)[C@@H](CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000096437985 569400605 /nfs/dbraw/zinc/40/06/05/569400605.db2.gz DPYISSUBMSFSEE-QFIPXVFZSA-N -1 3 447.564 4.145 50 0 IIAAHM CCOc1ccc2nc([N-]C(=O)c3cc4c(nc5c(C)cccn5c4=O)s3)sc2c1 ZINC000002466960 569403865 /nfs/dbraw/zinc/40/38/65/569403865.db2.gz UYGZAZGEMDVKLW-UHFFFAOYSA-N -1 3 436.518 4.478 50 0 IIAAHM COc1cccc(COC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)c1 ZINC000002636642 569413192 /nfs/dbraw/zinc/41/31/92/569413192.db2.gz NGUIZXYOMCWLQH-UHFFFAOYSA-N -1 3 446.352 4.293 50 0 IIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)c1 ZINC000230019929 569417415 /nfs/dbraw/zinc/41/74/15/569417415.db2.gz GWDKFFDTNYDZTC-YTFSRNRJSA-N -1 3 446.528 4.468 50 0 IIAAHM O=c1[n-]c(SCc2ccc(Br)cc2)nc2c1cnn2-c1ccc(F)cc1 ZINC000002717961 569418087 /nfs/dbraw/zinc/41/80/87/569418087.db2.gz IMFNTHGJJCJFHC-UHFFFAOYSA-N -1 3 431.290 4.303 50 0 IIAAHM COC[C@@H](C)n1c(C)cc(C(=O)CSc2n[n-]c(COc3ccccc3C)n2)c1C ZINC000003422487 569450502 /nfs/dbraw/zinc/45/05/02/569450502.db2.gz RPDFZQHWYLCBCW-MRXNPFEDSA-N -1 3 428.558 4.293 50 0 IIAAHM CCN(C(=O)Nc1cccc(Cl)c1)c1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000004015599 569458155 /nfs/dbraw/zinc/45/81/55/569458155.db2.gz IJMLSPNSYOZUGY-GOSISDBHSA-N -1 3 430.810 4.321 50 0 IIAAHM Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1[C@@]([O-])(c1nc2ccccc2s1)C(F)(F)F ZINC000008778687 569475499 /nfs/dbraw/zinc/47/54/99/569475499.db2.gz NDNAPEIXOKYZKN-LJQANCHMSA-N -1 3 444.442 4.047 50 0 IIAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)c(C)c1 ZINC000008961230 569490965 /nfs/dbraw/zinc/49/09/65/569490965.db2.gz NIHWTVPILOCFCP-UHFFFAOYSA-N -1 3 437.477 4.112 50 0 IIAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2O1 ZINC000009134305 569507020 /nfs/dbraw/zinc/50/70/20/569507020.db2.gz XCOICYSHZTXJKI-UHFFFAOYSA-N -1 3 425.359 4.052 50 0 IIAAHM O=C(OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000009377107 569527463 /nfs/dbraw/zinc/52/74/63/569527463.db2.gz UDLYPLVREUVWET-UHFFFAOYSA-N -1 3 445.500 4.135 50 0 IIAAHM O=c1nc(CN2CCN(c3ccccc3F)CC2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000009442627 569535570 /nfs/dbraw/zinc/53/55/70/569535570.db2.gz HXOJHAMGNUJLSM-UHFFFAOYSA-N -1 3 438.503 4.252 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1 ZINC000009495582 569541109 /nfs/dbraw/zinc/54/11/09/569541109.db2.gz MNUVMCFEVVPHDF-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1 ZINC000009495582 569541110 /nfs/dbraw/zinc/54/11/10/569541110.db2.gz MNUVMCFEVVPHDF-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 IIAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nnc(-c4ccoc4C)o3)nc(=O)c2c1C ZINC000009690540 569560980 /nfs/dbraw/zinc/56/09/80/569560980.db2.gz BRTZJKPVDNOCKT-JTQLQIEISA-N -1 3 446.510 4.274 50 0 IIAAHM CC(C)N(C(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(C)C ZINC000012745116 519570992 /nfs/dbraw/zinc/57/09/92/519570992.db2.gz UIKDWYUJAZMDJV-CYBMUJFWSA-N -1 3 433.965 4.301 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCCCOc2ccccc2Cl)S1 ZINC000020896252 519643363 /nfs/dbraw/zinc/64/33/63/519643363.db2.gz GJTXLGDDXSBVFH-FQEVSTJZSA-N -1 3 447.944 4.189 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccc(C)c(C)c3)cc2)S1 ZINC000020895711 519643625 /nfs/dbraw/zinc/64/36/25/519643625.db2.gz QKWLMXDDPBPYCP-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3cc(C)cc(C)c3)cc2)S1 ZINC000020895676 519643636 /nfs/dbraw/zinc/64/36/36/519643636.db2.gz FKCUUMCCRPPYET-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N([N-]C(=O)c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000012402621 520791131 /nfs/dbraw/zinc/79/11/31/520791131.db2.gz WNZPEYYQWOLOGI-YPHDTHBOSA-N -1 3 442.902 4.051 50 0 IIAAHM Cc1ccc(CN2CCc3nc(SCC(=O)Nc4ccc(C)c(C)c4)[n-]c(=O)c3C2)cc1 ZINC000020467775 524477092 /nfs/dbraw/zinc/47/70/92/524477092.db2.gz HBLWJLGNPFYPCY-UHFFFAOYSA-N -1 3 448.592 4.397 50 0 IIAAHM Cc1cccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1C ZINC000012757641 524590650 /nfs/dbraw/zinc/59/06/50/524590650.db2.gz NZFQEMLKOOWOCH-UHFFFAOYSA-N -1 3 432.549 4.339 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1C ZINC000012226441 525083683 /nfs/dbraw/zinc/08/36/83/525083683.db2.gz QWEIKSXBSIUYTK-UHFFFAOYSA-N -1 3 442.541 4.434 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@]32C)cc1 ZINC000012402532 525265546 /nfs/dbraw/zinc/26/55/46/525265546.db2.gz NMDGAVCPYORKSW-FBLLAGFSSA-N -1 3 432.451 4.276 50 0 IIAAHM CSc1ccccc1NC(=O)CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000012817246 526167179 /nfs/dbraw/zinc/16/71/79/526167179.db2.gz BBWCLVLBODETAF-UHFFFAOYSA-N -1 3 440.550 4.037 50 0 IIAAHM COc1ccc(C(=O)NC(=S)Nc2c([O-])ccc3ccccc32)cc1Br ZINC000000678863 555536307 /nfs/dbraw/zinc/53/63/07/555536307.db2.gz ZECAIOGPYBKDEP-UHFFFAOYSA-N -1 3 431.311 4.443 50 0 IIAAHM O=C([O-])CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1 ZINC000001194025 555676339 /nfs/dbraw/zinc/67/63/39/555676339.db2.gz ZTFBETZZRJLHQH-OAQYLSRUSA-N -1 3 439.309 4.465 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002317049 555768294 /nfs/dbraw/zinc/76/82/94/555768294.db2.gz MNBSMRMMSKUFET-QGZVFWFLSA-N -1 3 434.336 4.369 50 0 IIAAHM O=C(CF)[N-][C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000002706953 555800784 /nfs/dbraw/zinc/80/07/84/555800784.db2.gz NOBLTMWTVFJPIN-VIFPVBQESA-N -1 3 427.543 4.062 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000002858609 555843255 /nfs/dbraw/zinc/84/32/55/555843255.db2.gz ZJHHEIJGGLGGNT-UHFFFAOYSA-N -1 3 441.534 4.333 50 0 IIAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000002861351 555844740 /nfs/dbraw/zinc/84/47/40/555844740.db2.gz VZDGPXBYIYRVJM-UHFFFAOYSA-N -1 3 437.823 4.020 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000006142474 556077484 /nfs/dbraw/zinc/07/74/84/556077484.db2.gz CLDHLEJEAVKJKI-ZRBLBEILSA-N -1 3 432.451 4.276 50 0 IIAAHM COCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3[O-])c2[C@@H]1c1cccc(O)c1 ZINC000009243551 556266984 /nfs/dbraw/zinc/26/69/84/556266984.db2.gz CQNIUSCTDBDAOQ-NRFANRHFSA-N -1 3 427.888 4.031 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)cc1 ZINC000013936365 556336371 /nfs/dbraw/zinc/33/63/71/556336371.db2.gz ZJASIQKYENHVNL-UHFFFAOYSA-N -1 3 431.514 4.444 50 0 IIAAHM Cc1ccccc1OCc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n[n-]1 ZINC000014123693 556372941 /nfs/dbraw/zinc/37/29/41/556372941.db2.gz GJWATCOGHNBXPN-UHFFFAOYSA-N -1 3 436.581 4.266 50 0 IIAAHM Cc1ccccc1CN1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000022932384 556418140 /nfs/dbraw/zinc/41/81/40/556418140.db2.gz SONGTHXNWAVUHG-UHFFFAOYSA-N -1 3 430.577 4.278 50 0 IIAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032845944 556429726 /nfs/dbraw/zinc/42/97/26/556429726.db2.gz VFIHFGHTRATQRD-XMMPIXPASA-N -1 3 439.471 4.144 50 0 IIAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnnn4-c4ccccc4)nc(=O)c23)s1 ZINC000013017086 556438332 /nfs/dbraw/zinc/43/83/32/556438332.db2.gz XLXZIXFGFISLEQ-UHFFFAOYSA-N -1 3 438.563 4.290 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1 ZINC000029871936 556484836 /nfs/dbraw/zinc/48/48/36/556484836.db2.gz IHYLUKYWFBALOS-UHFFFAOYSA-N -1 3 448.495 4.149 50 0 IIAAHM COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn3nc(-c4ccccc4[O-])nc3c21 ZINC000013573221 556523848 /nfs/dbraw/zinc/52/38/48/556523848.db2.gz JNEULNOJTWKKLJ-NRFANRHFSA-N -1 3 438.443 4.497 50 0 IIAAHM Cc1c(-c2cc(C(=O)[N-]c3sc4c(c3C(=O)OC(C)C)CCCC4)on2)cnn1C ZINC000013641881 556542529 /nfs/dbraw/zinc/54/25/29/556542529.db2.gz WZFKNFQLEWHHLI-UHFFFAOYSA-N -1 3 428.514 4.141 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000033274819 556559393 /nfs/dbraw/zinc/55/93/93/556559393.db2.gz IOUUBWJUJRUCTK-UHFFFAOYSA-N -1 3 442.581 4.367 50 0 IIAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4cccc(Cl)c4)c(=O)c2-3)cc1 ZINC000016037121 556577822 /nfs/dbraw/zinc/57/78/22/556577822.db2.gz IPKXEGBMKUGFHF-UNMCSNQZSA-N -1 3 431.879 4.131 50 0 IIAAHM O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(=O)[nH]c2c(c1[O-])CCCC2 ZINC000017159451 556670577 /nfs/dbraw/zinc/67/05/77/556670577.db2.gz HPOIDAFQKRCTDH-UHFFFAOYSA-N -1 3 425.554 4.136 50 0 IIAAHM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC(c2ccccc2[O-])=NO1 ZINC000018210161 556686906 /nfs/dbraw/zinc/68/69/06/556686906.db2.gz RPRAFUBAJCKFLI-LJQANCHMSA-N -1 3 436.489 4.429 50 0 IIAAHM O=c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)[n-]c2scc(-c3ccco3)c21 ZINC000058171269 556768338 /nfs/dbraw/zinc/76/83/38/556768338.db2.gz UBYKTDJVHBDIGJ-INIZCTEOSA-N -1 3 435.505 4.353 50 0 IIAAHM Cn1c2ccccc2nc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000058203015 556771436 /nfs/dbraw/zinc/77/14/36/556771436.db2.gz BDIQBVLTDYVACY-FQEVSTJZSA-N -1 3 429.904 4.434 50 0 IIAAHM O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000058369538 556783381 /nfs/dbraw/zinc/78/33/81/556783381.db2.gz CBUXNMOFGWCREE-UHFFFAOYSA-N -1 3 446.347 4.028 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccccc1F ZINC000017177947 557030893 /nfs/dbraw/zinc/03/08/93/557030893.db2.gz FDTUVPUECLDHOQ-UHFFFAOYSA-N -1 3 429.864 4.044 50 0 IIAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)c1 ZINC000046074839 557031466 /nfs/dbraw/zinc/03/14/66/557031466.db2.gz DOHGNHZQKPWKQV-GOSISDBHSA-N -1 3 448.548 4.052 50 0 IIAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000046075614 557032472 /nfs/dbraw/zinc/03/24/72/557032472.db2.gz ZQKDTZYWHMFJJK-SFHVURJKSA-N -1 3 448.548 4.052 50 0 IIAAHM Cc1ccc(CC(=O)N2CCC(c3nnc(C(=O)[N-]c4ccccc4F)s3)CC2)cc1 ZINC000033272953 557052813 /nfs/dbraw/zinc/05/28/13/557052813.db2.gz IOSHVFZTCGTECT-UHFFFAOYSA-N -1 3 438.528 4.187 50 0 IIAAHM O=C(Nc1ccccc1[O-])C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000024927901 557180389 /nfs/dbraw/zinc/18/03/89/557180389.db2.gz OOLMEAQIPRHYEH-UHFFFAOYSA-N -1 3 446.429 4.312 50 0 IIAAHM Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(C(=O)c3ccccc3)c-2c1=O ZINC000100892237 557198657 /nfs/dbraw/zinc/19/86/57/557198657.db2.gz SDQDUDLLPQLWKJ-UNMCSNQZSA-N -1 3 443.890 4.266 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000102706882 557366925 /nfs/dbraw/zinc/36/69/25/557366925.db2.gz JOPMZDNLMORPSK-PWRODBHTSA-N -1 3 438.842 4.236 50 0 IIAAHM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4[N-][C@@H]3c3ccc4c(c3)OCCO4)C2)cc1 ZINC000102754620 557383777 /nfs/dbraw/zinc/38/37/77/557383777.db2.gz NBFDBYBJEOJKKL-OYHNWAKOSA-N -1 3 446.463 4.478 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000102760936 557385311 /nfs/dbraw/zinc/38/53/11/557385311.db2.gz ZPTSNQBCAKAQMC-RJGXRXQPSA-N -1 3 432.451 4.276 50 0 IIAAHM CCN1C[C@@H](CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)Oc2ccccc21 ZINC000023936608 557387714 /nfs/dbraw/zinc/38/77/14/557387714.db2.gz MZQXTLVMOAASIO-GOSISDBHSA-N -1 3 446.576 4.371 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccc(Cl)c2)[C@H](c2ccco2)C1 ZINC000225516097 557733739 /nfs/dbraw/zinc/73/37/39/557733739.db2.gz YACPJNLTQWOMEU-IBGZPJMESA-N -1 3 443.912 4.296 50 0 IIAAHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000008591673 562952078 /nfs/dbraw/zinc/95/20/78/562952078.db2.gz LSFGOMAMAPUJLC-GOSISDBHSA-N -1 3 434.970 4.238 50 0 IIAAHM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c([O-])c1 ZINC000003444045 568749640 /nfs/dbraw/zinc/74/96/40/568749640.db2.gz RXEIYVFANLQKGB-UHFFFAOYSA-N -1 3 442.924 4.358 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c(C)c1 ZINC000015671322 568803067 /nfs/dbraw/zinc/80/30/67/568803067.db2.gz UEGSEHOTLZOSRV-UHFFFAOYSA-N -1 3 425.558 4.321 50 0 IIAAHM COC(=O)C[C@H](c1cccc(O)c1)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000085875140 568837970 /nfs/dbraw/zinc/83/79/70/568837970.db2.gz UDOMLLANWVXRMU-LJQANCHMSA-N -1 3 442.489 4.047 50 0 biogenic IIAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000137472171 568909178 /nfs/dbraw/zinc/90/91/78/568909178.db2.gz UNADECRQZGYGGY-KMDXXIMOSA-N -1 3 444.487 4.014 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000239347323 568911273 /nfs/dbraw/zinc/91/12/73/568911273.db2.gz MSOIFKSYWYSVLK-WXFUMESZSA-N -1 3 444.487 4.145 50 0 IIAAHM Cc1noc(-c2ccc(S(=O)(=O)[N-]Cc3cccc(Br)c3)s2)c1C ZINC000065031404 569091461 /nfs/dbraw/zinc/09/14/61/569091461.db2.gz WTHFBHBFABVPQQ-UHFFFAOYSA-N -1 3 427.345 4.261 50 0 IIAAHM CSc1cccc(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)c1 ZINC000065035004 569092499 /nfs/dbraw/zinc/09/24/99/569092499.db2.gz VAZVACYOKYCLEY-UHFFFAOYSA-N -1 3 431.920 4.452 50 0 IIAAHM CC[C@@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063342 569097922 /nfs/dbraw/zinc/09/79/22/569097922.db2.gz KONAPAWJLNLQHI-OAHLLOKOSA-N -1 3 443.500 4.342 50 0 IIAAHM CCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000065074557 569098967 /nfs/dbraw/zinc/09/89/67/569098967.db2.gz SLXWQVRZESPWMB-UHFFFAOYSA-N -1 3 439.537 4.431 50 0 IIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1 ZINC000065096409 569103495 /nfs/dbraw/zinc/10/34/95/569103495.db2.gz IZNZXPAYQPAYHS-UHFFFAOYSA-N -1 3 445.504 4.433 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c(Cl)c1 ZINC000065115300 569106797 /nfs/dbraw/zinc/10/67/97/569106797.db2.gz RRCPYRWYKQCQMZ-UHFFFAOYSA-N -1 3 433.917 4.217 50 0 IIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018056122 569284510 /nfs/dbraw/zinc/28/45/10/569284510.db2.gz IUBITZYLXRRGMJ-VSKRKVRLSA-N -1 3 434.879 4.400 50 0 IIAAHM O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000328594711 569317718 /nfs/dbraw/zinc/31/77/18/569317718.db2.gz ACBQAKREYYBSSP-UHFFFAOYSA-N -1 3 442.401 4.047 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCn4c5ccccc5nc4C3)cc2C)cc1 ZINC000019855343 569330470 /nfs/dbraw/zinc/33/04/70/569330470.db2.gz ZRZWLQPTCLCHGY-UHFFFAOYSA-N -1 3 432.549 4.474 50 0 IIAAHM COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095475716 569372710 /nfs/dbraw/zinc/37/27/10/569372710.db2.gz HXRGDHKFVMYEJO-INIZCTEOSA-N -1 3 430.453 4.177 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3ccccc3)c(Cl)c2)S1 ZINC000020895986 569374963 /nfs/dbraw/zinc/37/49/63/569374963.db2.gz LROCCAKLDYNEGH-HXUWFJFHSA-N -1 3 447.944 4.189 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccc(C)cc3)c(Cl)c2)S1 ZINC000020895900 569375019 /nfs/dbraw/zinc/37/50/19/569375019.db2.gz ZUELRPWJICMQJI-HXUWFJFHSA-N -1 3 447.944 4.107 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCCOc2ccc(Cl)c(C)c2)S1 ZINC000020896170 569375100 /nfs/dbraw/zinc/37/51/00/569375100.db2.gz UNDMVBPZWXMXAV-HXUWFJFHSA-N -1 3 447.944 4.107 50 0 IIAAHM O=C(c1ccsc1)c1ccc(C[N-]S(=O)(=O)c2ccccc2Br)s1 ZINC000096119852 569384794 /nfs/dbraw/zinc/38/47/94/569384794.db2.gz ZGHIAPUQFZPSRT-UHFFFAOYSA-N -1 3 442.381 4.282 50 0 IIAAHM CCc1ccc([C@@H](C)NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1 ZINC000096399509 569400199 /nfs/dbraw/zinc/40/01/99/569400199.db2.gz CUCPPMKOZFLKSH-CYBMUJFWSA-N -1 3 449.623 4.200 50 0 IIAAHM CCN1C[C@@H](CN(C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)Oc2ccccc21 ZINC000057531679 569439510 /nfs/dbraw/zinc/43/95/10/569439510.db2.gz ATWCDQKALOSNDA-GOSISDBHSA-N -1 3 446.576 4.371 50 0 IIAAHM CCS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000009347048 569524256 /nfs/dbraw/zinc/52/42/56/569524256.db2.gz JDMPPEOGNVBFRP-UHFFFAOYSA-N -1 3 426.281 4.089 50 0 IIAAHM CCc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)Nc1ccccc1Cl ZINC000009490237 569540123 /nfs/dbraw/zinc/54/01/23/569540123.db2.gz LVHVJFAAPJQKIQ-UHFFFAOYSA-N -1 3 439.928 4.055 50 0 IIAAHM CCc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)Nc1ccccc1Cl ZINC000009490237 569540124 /nfs/dbraw/zinc/54/01/24/569540124.db2.gz LVHVJFAAPJQKIQ-UHFFFAOYSA-N -1 3 439.928 4.055 50 0 IIAAHM CCc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2cccc(Cl)c2)cc1 ZINC000009490641 569540250 /nfs/dbraw/zinc/54/02/50/569540250.db2.gz XPJSRNFHKDPQGR-UHFFFAOYSA-N -1 3 439.928 4.055 50 0 IIAAHM CCc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2cccc(Cl)c2)cc1 ZINC000009490641 569540251 /nfs/dbraw/zinc/54/02/51/569540251.db2.gz XPJSRNFHKDPQGR-UHFFFAOYSA-N -1 3 439.928 4.055 50 0 IIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(OC)c(C)cc3C)cc2)n1 ZINC000009572471 569547793 /nfs/dbraw/zinc/54/77/93/569547793.db2.gz FRTDMOVLOSUCGL-UHFFFAOYSA-N -1 3 441.557 4.387 50 0 IIAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000009572545 569547864 /nfs/dbraw/zinc/54/78/64/569547864.db2.gz IQGLBFHIKUNJST-UHFFFAOYSA-N -1 3 429.521 4.315 50 0 IIAAHM CCC(CC)c1nnc([N-]C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)s1 ZINC000009662020 569557085 /nfs/dbraw/zinc/55/70/85/569557085.db2.gz DLWJNBVKBOPIJI-UHFFFAOYSA-N -1 3 441.534 4.071 50 0 IIAAHM O=C(Nc1cccc2c1CCCC2)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000009673322 569558896 /nfs/dbraw/zinc/55/88/96/569558896.db2.gz YRGOFPFUGWSDQU-NRFANRHFSA-N -1 3 440.590 4.155 50 0 IIAAHM CCc1cc2c(nc(SCC(=O)Nc3ccccc3[O-])n(Cc3ccco3)c2=O)s1 ZINC000009970690 569576211 /nfs/dbraw/zinc/57/62/11/569576211.db2.gz GCBSTBOMBIPFHX-UHFFFAOYSA-N -1 3 441.534 4.098 50 0 IIAAHM COc1ccccc1N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)CC1 ZINC000009562934 132321698 /nfs/dbraw/zinc/32/16/98/132321698.db2.gz FPBAUSHCKDPWIN-UHFFFAOYSA-N -1 3 438.578 4.044 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCCCOc2ccccc2Cl)S1 ZINC000020896249 519643691 /nfs/dbraw/zinc/64/36/91/519643691.db2.gz GJTXLGDDXSBVFH-HXUWFJFHSA-N -1 3 447.944 4.189 50 0 IIAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(-n4ccnc4)cc3)nc(=O)c2c1C ZINC000012507605 522433135 /nfs/dbraw/zinc/43/31/35/522433135.db2.gz ZFDDAAOOJVARRX-ZROIWOOFSA-N -1 3 426.885 4.002 50 0 IIAAHM CCc1cccc(C)c1NC(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccc(C)cc1 ZINC000012413516 524063551 /nfs/dbraw/zinc/06/35/51/524063551.db2.gz DKRHILRFORRVNP-UHFFFAOYSA-N -1 3 433.537 4.019 50 0 biogenic,in-vitro IIAAHM Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(CCc2ccccc2)CC3)c1 ZINC000020467802 524421176 /nfs/dbraw/zinc/42/11/76/524421176.db2.gz KITAMXSJMREWJN-UHFFFAOYSA-N -1 3 448.592 4.131 50 0 IIAAHM COc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000012536141 524468150 /nfs/dbraw/zinc/46/81/50/524468150.db2.gz BBWIHAFGNMKOCB-UHFFFAOYSA-N -1 3 441.347 4.161 50 0 IIAAHM Cc1ccc(CN2CCc3nc(SCC(=O)Nc4cc(C)ccc4C)[n-]c(=O)c3C2)cc1 ZINC000020467774 524477644 /nfs/dbraw/zinc/47/76/44/524477644.db2.gz USXOITQOHQRDOT-UHFFFAOYSA-N -1 3 448.592 4.397 50 0 IIAAHM C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012615459 526183447 /nfs/dbraw/zinc/18/34/47/526183447.db2.gz LZEMJIUGKSHGAR-OAHLLOKOSA-N -1 3 434.521 4.176 50 0 IIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)cc(N2CCCC2)n1 ZINC000021794829 527005402 /nfs/dbraw/zinc/00/54/02/527005402.db2.gz CWVUWADTJTWCFF-UHFFFAOYSA-N -1 3 427.505 4.069 50 0 IIAAHM O=S(=O)([N-]c1ccccc1I)c1ccccc1C(F)(F)F ZINC000012630882 527256091 /nfs/dbraw/zinc/25/60/91/527256091.db2.gz QNWQTPLPWNGXLG-UHFFFAOYSA-N -1 3 427.185 4.111 50 0 IIAAHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1[O-] ZINC000001008216 555601431 /nfs/dbraw/zinc/60/14/31/555601431.db2.gz QPDISMXOEPGZAZ-SXGWCWSVSA-N -1 3 432.885 4.038 50 0 IIAAHM CCOc1ccccc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000006573707 556095146 /nfs/dbraw/zinc/09/51/46/556095146.db2.gz QHMWRPVJQXUMMH-UHFFFAOYSA-N -1 3 449.330 4.069 50 0 IIAAHM CCOc1ccccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000006573707 556095149 /nfs/dbraw/zinc/09/51/49/556095149.db2.gz QHMWRPVJQXUMMH-UHFFFAOYSA-N -1 3 449.330 4.069 50 0 IIAAHM CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C)cc2)c1 ZINC000003022423 556157043 /nfs/dbraw/zinc/15/70/43/556157043.db2.gz WMBYRRXTHKLRPS-UHFFFAOYSA-N -1 3 442.512 4.264 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@]32C)cc1 ZINC000008738042 556205028 /nfs/dbraw/zinc/20/50/28/556205028.db2.gz MYERLJKKPCTZKL-ZEVJAHDQSA-N -1 3 428.488 4.445 50 0 IIAAHM COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000013758983 556301573 /nfs/dbraw/zinc/30/15/73/556301573.db2.gz PNLDAACTMMOHLJ-RTBURBONSA-N -1 3 433.443 4.417 50 0 IIAAHM CCOC(=O)C1CCN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)CC1 ZINC000013031222 556442528 /nfs/dbraw/zinc/44/25/28/556442528.db2.gz QWHLENWWTFLKAP-UHFFFAOYSA-N -1 3 431.945 4.080 50 0 IIAAHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3c(F)cccc3Cl)nc(=O)c2c1C ZINC000013062772 556451144 /nfs/dbraw/zinc/45/11/44/556451144.db2.gz VFFGWZKUCQAMPV-NSHDSACASA-N -1 3 437.924 4.455 50 0 IIAAHM CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc21 ZINC000013095276 556456309 /nfs/dbraw/zinc/45/63/09/556456309.db2.gz DWQDMKLGWRBPRM-UHFFFAOYSA-N -1 3 449.536 4.121 50 0 IIAAHM COC(=O)c1sc2[n-]c(CSc3ccc(Br)cc3)nc(=O)c2c1C ZINC000013637213 556541309 /nfs/dbraw/zinc/54/13/09/556541309.db2.gz QPQCKWIATNPHEC-UHFFFAOYSA-N -1 3 425.329 4.134 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1(c2ccccc2)CC1 ZINC000011750406 556650297 /nfs/dbraw/zinc/65/02/97/556650297.db2.gz ONQLFBCACWZFCG-UHFFFAOYSA-N -1 3 438.524 4.397 50 0 IIAAHM O=C(NCCSC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000032936070 556677990 /nfs/dbraw/zinc/67/79/90/556677990.db2.gz GGVANEHPNDOFNC-UHFFFAOYSA-N -1 3 438.880 4.124 50 0 IIAAHM Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccc(C)cc4)csc3[n-]2)cc1 ZINC000058170284 556767639 /nfs/dbraw/zinc/76/76/39/556767639.db2.gz LZPBQXQTAFQGJT-UHFFFAOYSA-N -1 3 432.549 4.339 50 0 IIAAHM Cc1nc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)sc1-c1ccccc1 ZINC000048287213 557052857 /nfs/dbraw/zinc/05/28/57/557052857.db2.gz MZOITTISNXVRAG-UHFFFAOYSA-N -1 3 431.539 4.057 50 0 IIAAHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CCc2ccccc2C1 ZINC000017322113 557058504 /nfs/dbraw/zinc/05/85/04/557058504.db2.gz GBHZOMDWEZIUGH-UHFFFAOYSA-N -1 3 444.915 4.478 50 0 IIAAHM O=c1c2c[n-]nc2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1-c1ccccc1 ZINC000033292196 557070020 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4.010 50 0 IIAAHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000024613749 557155972 /nfs/dbraw/zinc/15/59/72/557155972.db2.gz ASUXIOLMCFYUQL-UHFFFAOYSA-N -1 3 426.494 4.065 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccccn1 ZINC000170591368 557216579 /nfs/dbraw/zinc/21/65/79/557216579.db2.gz CABXKYXOJAOEDY-SLFFLAALSA-N -1 3 439.393 4.152 50 0 IIAAHM CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101200970 557263268 /nfs/dbraw/zinc/26/32/68/557263268.db2.gz HQSPYXVGXOZEBV-ZRBLBEILSA-N -1 3 432.451 4.276 50 0 IIAAHM COc1ccc(C(=O)Nc2ccc(N3CCN([C@@H](C)CC(C)C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078684 557324283 /nfs/dbraw/zinc/32/42/83/557324283.db2.gz AUWYABZQMYZNNE-SFHVURJKSA-N -1 3 439.556 4.202 50 0 IIAAHM C[C@H](Sc1ncnc2c1cnn2C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000011682008 557366154 /nfs/dbraw/zinc/36/61/54/557366154.db2.gz WJVXPGXXRUBDOT-VIFPVBQESA-N -1 3 426.552 4.243 50 0 IIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1Cl ZINC000102707152 557367346 /nfs/dbraw/zinc/36/73/46/557367346.db2.gz KIOTYXJJIYNXKL-BHIFYINESA-N -1 3 434.879 4.405 50 0 IIAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102711495 557373730 /nfs/dbraw/zinc/37/37/30/557373730.db2.gz UNADECRQZGYGGY-WXFUMESZSA-N -1 3 444.487 4.014 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC000225516444 557733732 /nfs/dbraw/zinc/73/37/32/557733732.db2.gz AKQXULNUHYQPEX-LJQANCHMSA-N -1 3 425.535 4.111 50 0 IIAAHM C[C@@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC(F)F)ccc21 ZINC000000538648 557829314 /nfs/dbraw/zinc/82/93/14/557829314.db2.gz NJDRXTDGYFKORP-NSHDSACASA-N -1 3 426.419 4.467 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000229898760 557833623 /nfs/dbraw/zinc/83/36/23/557833623.db2.gz CLDHLEJEAVKJKI-YTFSRNRJSA-N -1 3 432.451 4.276 50 0 IIAAHM Cc1cccc(-c2nc3cc(=O)[n-]n3c(SCc3ccc(Br)cc3)n2)c1 ZINC000008603051 562955961 /nfs/dbraw/zinc/95/59/61/562955961.db2.gz NYQYSAWGLYPKGW-UHFFFAOYSA-N -1 3 427.327 4.448 50 0 IIAAHM O=C(Nc1ccccc1[O-])c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000960069 568646768 /nfs/dbraw/zinc/64/67/68/568646768.db2.gz XLTVHNDOYPCRAM-UHFFFAOYSA-N -1 3 447.878 4.076 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000015669762 568801978 /nfs/dbraw/zinc/80/19/78/568801978.db2.gz ZDUUJOWEFNPCRM-UHFFFAOYSA-N -1 3 427.960 4.052 50 0 IIAAHM COc1cccc(Cn2c(C)c(CNCc3ccc(OC)c(OC)c3)c(C(=O)[O-])c2C)c1 ZINC000015777106 568823802 /nfs/dbraw/zinc/82/38/02/568823802.db2.gz VGRIRCDBYVPLHS-UHFFFAOYSA-N -1 3 438.524 4.167 50 0 IIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)c1 ZINC000101879395 568837230 /nfs/dbraw/zinc/83/72/30/568837230.db2.gz ZAYSVDYPHSILKN-HSALFYBXSA-N -1 3 440.908 4.461 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000245240526 568913252 /nfs/dbraw/zinc/91/32/52/568913252.db2.gz ZDTSWYWUPWCDBR-NJYVYQBISA-N -1 3 448.862 4.089 50 0 IIAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cccc(F)c3)nc(N3CCCCC3)n2)cc1 ZINC000252615385 568926341 /nfs/dbraw/zinc/92/63/41/568926341.db2.gz JRSOAMBBKVFXHK-UHFFFAOYSA-N -1 3 436.451 4.099 50 0 IIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3cc(OC)c(C)cc3C)cc2)n1 ZINC000064802068 568961811 /nfs/dbraw/zinc/96/18/11/568961811.db2.gz AXBPYAQADQSYMU-UHFFFAOYSA-N -1 3 441.557 4.387 50 0 IIAAHM Cc1ccc(C)c(-c2csc3[n-]c(CN(C[C@@H](O)COC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206516 568973125 /nfs/dbraw/zinc/97/31/25/568973125.db2.gz UWXCHRGKUJXNFD-GOSISDBHSA-N -1 3 443.613 4.265 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862141 568973878 /nfs/dbraw/zinc/97/38/78/568973878.db2.gz ZWDYDRPYNZFOAW-UHFFFAOYSA-N -1 3 443.569 4.291 50 0 IIAAHM Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc43)CC2)c(C)c1 ZINC000036352642 569083779 /nfs/dbraw/zinc/08/37/79/569083779.db2.gz LTOCXTVVMVPTRJ-XMMPIXPASA-N -1 3 448.567 4.327 50 0 IIAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000002448092 569304605 /nfs/dbraw/zinc/30/46/05/569304605.db2.gz IOKLKWPWAMGOPM-KMDXXIMOSA-N -1 3 443.503 4.312 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1C ZINC000013009968 569306736 /nfs/dbraw/zinc/30/67/36/569306736.db2.gz JSLQNWACPZTHLL-UHFFFAOYSA-N -1 3 434.525 4.132 50 0 IIAAHM CCc1nnc([N-]C(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)s1 ZINC000020436313 569365444 /nfs/dbraw/zinc/36/54/44/569365444.db2.gz HWXXKPIAJOJHHJ-UHFFFAOYSA-N -1 3 425.944 4.022 50 0 IIAAHM Cc1ccc(NC(=O)c2ccc3c(c2)N(C)CC3)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000096013673 569380432 /nfs/dbraw/zinc/38/04/32/569380432.db2.gz ZHPCYCMMEQXVCT-UHFFFAOYSA-N -1 3 439.512 4.180 50 0 IIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(Cl)c2F)CCO1 ZINC000096116904 569383951 /nfs/dbraw/zinc/38/39/51/569383951.db2.gz LIPUFNZYIUXJQN-HWPZZCPQSA-N -1 3 425.913 4.286 50 0 IIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc3ccccc3n(C)c2=O)S1 ZINC000096117283 569384072 /nfs/dbraw/zinc/38/40/72/569384072.db2.gz PRUWJVJQVNMZJR-DNVCBOLYSA-N -1 3 438.553 4.045 50 0 IIAAHM Cc1cccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[n-]n4[C@H]3CCOC(C)(C)C3)c(=O)[nH]c12 ZINC000096117405 569384169 /nfs/dbraw/zinc/38/41/69/569384169.db2.gz RZMRARGSWYRBCO-KXBFYZLASA-N -1 3 438.553 4.343 50 0 IIAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1cc(C)ccc1C)C3 ZINC000096326912 569396306 /nfs/dbraw/zinc/39/63/06/569396306.db2.gz IMFYGWQTWJYPQU-UHFFFAOYSA-N -1 3 425.916 4.216 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000230017061 569417438 /nfs/dbraw/zinc/41/74/38/569417438.db2.gz MYCSDMQSSHIWLC-NLWGTHIKSA-N -1 3 440.286 4.440 50 0 IIAAHM CCN1C[C@H](CN(C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)Oc2ccccc21 ZINC000057531678 569439482 /nfs/dbraw/zinc/43/94/82/569439482.db2.gz ATWCDQKALOSNDA-SFHVURJKSA-N -1 3 446.576 4.371 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)c3cccs3)cc2)cc1 ZINC000003423600 569450470 /nfs/dbraw/zinc/45/04/70/569450470.db2.gz VNLLMVYPDFXSCF-UHFFFAOYSA-N -1 3 444.534 4.159 50 0 IIAAHM COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccccn3)cs2)[C@@]1([O-])C(F)(F)F ZINC000008777902 569475467 /nfs/dbraw/zinc/47/54/67/569475467.db2.gz RBSGBCDKLQBTMC-QRWLVFNGSA-N -1 3 446.454 4.251 50 0 IIAAHM COc1ccc2c(c1)CC[C@H]1C2=NN(c2nc(-c3ccccn3)cs2)[C@]1([O-])C(F)(F)F ZINC000008777900 569475473 /nfs/dbraw/zinc/47/54/73/569475473.db2.gz RBSGBCDKLQBTMC-MGPUTAFESA-N -1 3 446.454 4.251 50 0 IIAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)c(C)c1 ZINC000008840966 569478400 /nfs/dbraw/zinc/47/84/00/569478400.db2.gz KQTDLOGPFNHPDE-UHFFFAOYSA-N -1 3 443.569 4.080 50 0 IIAAHM O=c1nc(CSc2nnnn2C2CCCC2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000008901571 569484366 /nfs/dbraw/zinc/48/43/66/569484366.db2.gz BCQFNEZWFZKOCN-UHFFFAOYSA-N -1 3 428.518 4.185 50 0 IIAAHM CCCc1ccc([C@H]([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2cccs2)cc1 ZINC000040058587 569484660 /nfs/dbraw/zinc/48/46/60/569484660.db2.gz VWAAVSPSRMBCGU-NRFANRHFSA-N -1 3 449.619 4.172 50 0 IIAAHM Cc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)c1ccccc1 ZINC000009260425 569516961 /nfs/dbraw/zinc/51/69/61/569516961.db2.gz DYCJWVKXDYHKRW-QHCPKHFHSA-N -1 3 433.533 4.358 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000009356436 569525415 /nfs/dbraw/zinc/52/54/15/569525415.db2.gz JCJKNRPXNLRUNX-UHFFFAOYSA-N -1 3 428.897 4.195 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2ccco2)[C@H](c2ccccc2Cl)C1 ZINC000009378571 569527630 /nfs/dbraw/zinc/52/76/30/569527630.db2.gz XHFDEEBAQIQSSM-IBGZPJMESA-N -1 3 443.912 4.296 50 0 IIAAHM C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009672320 569558796 /nfs/dbraw/zinc/55/87/96/569558796.db2.gz KXCCFGVTINNHPG-GFCCVEGCSA-N -1 3 448.595 4.077 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccc(F)cc2)C1 ZINC000010233931 569579651 /nfs/dbraw/zinc/57/96/51/569579651.db2.gz OKTANQWCBYVKTF-LJQANCHMSA-N -1 3 443.525 4.250 50 0 IIAAHM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccccc3Br)cc21 ZINC000009406949 132315693 /nfs/dbraw/zinc/31/56/93/132315693.db2.gz OWBSQUVWKUXFPO-LLVKDONJSA-N -1 3 441.372 4.097 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCCCOc2ccc(C)c(C)c2)S1 ZINC000020896261 519643532 /nfs/dbraw/zinc/64/35/32/519643532.db2.gz VUGIOSBIFUGGAH-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(OC)c(C)cc3C)cc2)nc(C)n1 ZINC000012226310 520766522 /nfs/dbraw/zinc/76/65/22/520766522.db2.gz DAVOWCCDLZFMKB-UHFFFAOYSA-N -1 3 442.541 4.354 50 0 IIAAHM COc1ccc(NC(=O)CCc2cccnc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000021200904 524487232 /nfs/dbraw/zinc/48/72/32/524487232.db2.gz KDZDKRJXFAAAID-UHFFFAOYSA-N -1 3 445.928 4.116 50 0 IIAAHM Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)cc1 ZINC000012881751 525044505 /nfs/dbraw/zinc/04/45/05/525044505.db2.gz FNJAQVVTATWCPE-UHFFFAOYSA-N -1 3 436.512 4.170 50 0 IIAAHM Cc1ccc(OCc2nc(C(=O)[N-]c3cc(S(C)(=O)=O)ccc3Cl)cs2)cc1 ZINC000012778215 525446887 /nfs/dbraw/zinc/44/68/87/525446887.db2.gz KFYUOFXPVLLXFP-UHFFFAOYSA-N -1 3 436.942 4.340 50 0 IIAAHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nc3c2nc[n-]c3=O)cc1 ZINC000012462136 525899679 /nfs/dbraw/zinc/89/96/79/525899679.db2.gz GFPNGICCJQBMAU-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 biogenic,in-vitro IIAAHM Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nc3c2nc[n-]c3=O)cc1 ZINC000012462114 525900363 /nfs/dbraw/zinc/90/03/63/525900363.db2.gz MOZIEAFAJGWQGJ-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 biogenic,in-vitro IIAAHM COc1cccc(CN(C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1OC ZINC000012771868 525916573 /nfs/dbraw/zinc/91/65/73/525916573.db2.gz XOBLCLWZQDCQQL-CYBMUJFWSA-N -1 3 425.510 4.455 50 0 IIAAHM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(Cc2ccccn2)CC1 ZINC000020745995 526315480 /nfs/dbraw/zinc/31/54/80/526315480.db2.gz JMIANGZHENYCSZ-VWLOTQADSA-N -1 3 426.520 4.173 50 0 IIAAHM O=C(Nc1cnc2ccccc2c1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000012739905 527476803 /nfs/dbraw/zinc/47/68/03/527476803.db2.gz AMGQQLGQFGCKIU-UHFFFAOYSA-N -1 3 436.320 4.235 50 0 IIAAHM O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc21 ZINC000035480129 527513699 /nfs/dbraw/zinc/51/36/99/527513699.db2.gz XJQBIQNESLGMRB-UHFFFAOYSA-N -1 3 435.496 4.170 50 0 IIAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000000954635 555589934 /nfs/dbraw/zinc/58/99/34/555589934.db2.gz IJKODCHCMJFGAX-IIDMSEBBSA-N -1 3 447.240 4.406 50 0 IIAAHM O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000002079034 555736661 /nfs/dbraw/zinc/73/66/61/555736661.db2.gz VMHYPYGFOAEVFO-ZRDDSIGQSA-N -1 3 446.300 4.295 50 0 IIAAHM O=C(CF)[N-][C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002706941 555800792 /nfs/dbraw/zinc/80/07/92/555800792.db2.gz JCCHHXIRSXXUMO-VIFPVBQESA-N -1 3 427.543 4.062 50 0 IIAAHM CC1=NC(=O)[N-][C@@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCC(F)(F)C(F)(F)F ZINC000004065398 555957507 /nfs/dbraw/zinc/95/75/07/555957507.db2.gz TUEPIEKUVRHOCW-NSHDSACASA-N -1 3 433.160 4.362 50 0 IIAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1SCc1ccsc1 ZINC000032820427 556412215 /nfs/dbraw/zinc/41/22/15/556412215.db2.gz DCTFTCKWFPNGTB-UHFFFAOYSA-N -1 3 437.546 4.485 50 0 IIAAHM C[C@@H](Sc1nnnn1Cc1cccs1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000029592605 556478285 /nfs/dbraw/zinc/47/82/85/556478285.db2.gz HJWYJIBTCYJFCC-SNVBAGLBSA-N -1 3 442.551 4.194 50 0 IIAAHM COc1ccc(-n2nc(C(=O)c3cccs3)cc(-c3nc4ccccc4[n-]3)c2=N)cc1 ZINC000013471013 556507595 /nfs/dbraw/zinc/50/75/95/556507595.db2.gz IQEPIQZUAYUFOR-UHFFFAOYSA-N -1 3 427.489 4.196 50 0 IIAAHM Cc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000032893145 556520799 /nfs/dbraw/zinc/52/07/99/556520799.db2.gz NVTXEFJOHGRNHV-UHFFFAOYSA-N -1 3 440.550 4.154 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000013658341 556546407 /nfs/dbraw/zinc/54/64/07/556546407.db2.gz JOPMZDNLMORPSK-NJDAHSKKSA-N -1 3 438.842 4.236 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)cc1C ZINC000015869551 556560292 /nfs/dbraw/zinc/56/02/92/556560292.db2.gz GVNKTMCLFFOIML-UHFFFAOYSA-N -1 3 438.549 4.354 50 0 IIAAHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000039383630 556628392 /nfs/dbraw/zinc/62/83/92/556628392.db2.gz SOYILTDRPXWNMS-UHFFFAOYSA-N -1 3 430.434 4.288 50 0 IIAAHM O=c1oc2ccccc2c([O-])c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022942796 556639871 /nfs/dbraw/zinc/63/98/71/556639871.db2.gz YETPLKHCKNHQPG-UHFFFAOYSA-N -1 3 426.516 4.406 50 0 IIAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3C[C@@H](C)O[C@@H](C)C3)cc2[O-])cc1 ZINC000013609329 556702580 /nfs/dbraw/zinc/70/25/80/556702580.db2.gz DZIPXANSGQRFCA-CALCHBBNSA-N -1 3 437.540 4.254 50 0 IIAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1C ZINC000013696248 556712253 /nfs/dbraw/zinc/71/22/53/556712253.db2.gz UNMFFNIEXOEQQO-UHFFFAOYSA-N -1 3 442.562 4.377 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2ccco2)[C@H](c2cccc(Cl)c2)C1 ZINC000097105750 556987875 /nfs/dbraw/zinc/98/78/75/556987875.db2.gz XUDYIJWIVSMBCX-IBGZPJMESA-N -1 3 443.912 4.296 50 0 IIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000046057863 557029151 /nfs/dbraw/zinc/02/91/51/557029151.db2.gz LPEJLPTUCZIDNU-OAHLLOKOSA-N -1 3 425.872 4.160 50 0 IIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000046057743 557029162 /nfs/dbraw/zinc/02/91/62/557029162.db2.gz ZOJREZPXVYRLDV-OAHLLOKOSA-N -1 3 425.872 4.160 50 0 IIAAHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc([C@@H]4CCCO4)s3)s2)cc1OC ZINC000049544865 557111210 /nfs/dbraw/zinc/11/12/10/557111210.db2.gz MBBJDDLBVPXNKC-ZDUSSCGKSA-N -1 3 432.527 4.091 50 0 IIAAHM CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000009699279 557191421 /nfs/dbraw/zinc/19/14/21/557191421.db2.gz BDIZWTHUGIXSAN-UHFFFAOYSA-N -1 3 432.933 4.275 50 0 IIAAHM COC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@H]1c1ccc([O-])c(Br)c1 ZINC000096305000 557195190 /nfs/dbraw/zinc/19/51/90/557195190.db2.gz TZQVBGHREYSVPK-KRWDZBQOSA-N -1 3 426.266 4.471 50 0 IIAAHM CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101075923 557225592 /nfs/dbraw/zinc/22/55/92/557225592.db2.gz OJTVJQQTIRDHQH-QYZOEREBSA-N -1 3 429.314 4.174 50 0 IIAAHM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000101628760 557291522 /nfs/dbraw/zinc/29/15/22/557291522.db2.gz JLARNNGSFSIAQE-IRXDYDNUSA-N -1 3 446.956 4.124 50 0 IIAAHM O=C([N-]c1ccccc1F)c1nnc(COc2ccc(C(=O)N3CCCCC3)cc2)s1 ZINC000033114329 557324315 /nfs/dbraw/zinc/32/43/15/557324315.db2.gz CAMONJPPPVYQLY-UHFFFAOYSA-N -1 3 440.500 4.135 50 0 IIAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]CCCc2ccccc2)s1 ZINC000033306420 557333610 /nfs/dbraw/zinc/33/36/10/557333610.db2.gz IAQBVLJGTOJZFB-ZRDIBKRKSA-N -1 3 445.566 4.084 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000102663059 557362035 /nfs/dbraw/zinc/36/20/35/557362035.db2.gz AWTVSNZKEXJBJA-TZRRMPRUSA-N -1 3 428.488 4.445 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000102706885 557366899 /nfs/dbraw/zinc/36/68/99/557366899.db2.gz JOPMZDNLMORPSK-PCCBWWKXSA-N -1 3 438.842 4.236 50 0 IIAAHM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(Br)ccc1Br ZINC000014245830 557433506 /nfs/dbraw/zinc/43/35/06/557433506.db2.gz DPNGNTZDSLZDBQ-UHFFFAOYSA-N -1 3 427.064 4.291 50 0 IIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)c1 ZINC000105906513 557512226 /nfs/dbraw/zinc/51/22/26/557512226.db2.gz GWDKFFDTNYDZTC-DNVJHFABSA-N -1 3 446.528 4.468 50 0 IIAAHM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000014128757 557836605 /nfs/dbraw/zinc/83/66/05/557836605.db2.gz OOUCFCQIQLLUSZ-TXPKVOOTSA-N -1 3 442.890 4.293 50 0 IIAAHM COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])o1 ZINC000000892358 557860532 /nfs/dbraw/zinc/86/05/32/557860532.db2.gz BVHKKGAKPZVCKI-UHFFFAOYSA-N -1 3 435.461 4.113 50 0 IIAAHM CCC(CC)c1nnc([N-]C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)s1 ZINC000025578637 568736315 /nfs/dbraw/zinc/73/63/15/568736315.db2.gz WSGHRCFGMZMRHM-UHFFFAOYSA-N -1 3 430.983 4.034 50 0 IIAAHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CCS4)cc2)CC1 ZINC000015731072 568813856 /nfs/dbraw/zinc/81/38/56/568813856.db2.gz BGDDGAMLGBOLML-UHFFFAOYSA-N -1 3 431.583 4.158 50 0 IIAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1 ZINC000015832867 568842160 /nfs/dbraw/zinc/84/21/60/568842160.db2.gz ONHYUPDWNDUQHJ-FQEVSTJZSA-N -1 3 447.944 4.319 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)c(C)s1 ZINC000012949836 568871794 /nfs/dbraw/zinc/87/17/94/568871794.db2.gz QQOYWIYZDQGVSX-UHFFFAOYSA-N -1 3 438.525 4.429 50 0 IIAAHM COc1ccc(N2OC3=C([O-])N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000239275136 568910939 /nfs/dbraw/zinc/91/09/39/568910939.db2.gz BFWHVTSVWUKBED-BDTNDASRSA-N -1 3 434.879 4.400 50 0 IIAAHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000089289866 568919679 /nfs/dbraw/zinc/91/96/79/568919679.db2.gz GGMYIZHZXJFNDR-UHFFFAOYSA-N -1 3 430.892 4.051 50 0 IIAAHM O=S(=O)([N-]CCn1c2ccccc2nc1CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000064888184 568979383 /nfs/dbraw/zinc/97/93/83/568979383.db2.gz BCMCNCRSPSWKSY-UHFFFAOYSA-N -1 3 441.503 4.078 50 0 IIAAHM Cc1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)c1 ZINC000064930328 568988667 /nfs/dbraw/zinc/98/86/67/568988667.db2.gz UMRIGPUGQIPCQO-QGZVFWFLSA-N -1 3 428.464 4.354 50 0 IIAAHM Cc1cccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc43)CC2)c1C ZINC000036360968 569086704 /nfs/dbraw/zinc/08/67/04/569086704.db2.gz FLPRENHRXRTBEH-DEOSSOPVSA-N -1 3 448.567 4.327 50 0 IIAAHM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)nc3ccccc3n12 ZINC000065096428 569103572 /nfs/dbraw/zinc/10/35/72/569103572.db2.gz IVBBMMNSSXCZIO-UHFFFAOYSA-N -1 3 449.467 4.318 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)cc1 ZINC000170606347 569144098 /nfs/dbraw/zinc/14/40/98/569144098.db2.gz JVCADGFCQRZBKQ-UHFFFAOYSA-N -1 3 444.553 4.058 50 0 IIAAHM O=S(=O)([N-]Cc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(Br)s1 ZINC000207972090 569145668 /nfs/dbraw/zinc/14/56/68/569145668.db2.gz ZCKKUEQCYZIXIH-INIZCTEOSA-N -1 3 444.397 4.132 50 0 IIAAHM O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N(c1ccc([O-])cc1)S(=O)(=O)c1ccccc1 ZINC000170629417 569148894 /nfs/dbraw/zinc/14/88/94/569148894.db2.gz BXQKQMOXZPUSJU-ROUUACIJSA-N -1 3 429.444 4.196 50 0 IIAAHM CCc1ccc([C@@H](NC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C(C)C)cc1 ZINC000009758901 569148968 /nfs/dbraw/zinc/14/89/68/569148968.db2.gz LLYSXCHGSJBMCF-NRFANRHFSA-N -1 3 449.642 4.160 50 0 IIAAHM COc1cc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c(C)cc1C ZINC000017010314 569170208 /nfs/dbraw/zinc/17/02/08/569170208.db2.gz PZTGKIMQQQZCFQ-UHFFFAOYSA-N -1 3 441.557 4.021 50 0 IIAAHM O=c1[n-]c(=S)n(-c2cccc3ccccc32)c(O)c1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000002107585 569181366 /nfs/dbraw/zinc/18/13/66/569181366.db2.gz BIHDBPLZLQXXKS-JOCHJYFZSA-N -1 3 440.528 4.470 50 0 biogenic IIAAHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)cc2F)n1 ZINC000170640737 569181477 /nfs/dbraw/zinc/18/14/77/569181477.db2.gz BMDTZEIDAGYGOR-UHFFFAOYSA-N -1 3 429.304 4.318 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(OC(C)C)nc3-c3ccco3)cc2)cc1 ZINC000037385193 569192410 /nfs/dbraw/zinc/19/24/10/569192410.db2.gz JZYRPXJQYRCMNG-UHFFFAOYSA-N -1 3 438.509 4.424 50 0 IIAAHM Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000096399471 569400039 /nfs/dbraw/zinc/40/00/39/569400039.db2.gz CUULNSIXDWVFHW-UHFFFAOYSA-N -1 3 441.987 4.360 50 0 IIAAHM Cc1ccn(Cc2n[n-]c(=S)n2-c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)n1 ZINC000002731000 569419389 /nfs/dbraw/zinc/41/93/89/569419389.db2.gz HUODZCNPVREKGI-UHFFFAOYSA-N -1 3 448.383 4.278 50 0 IIAAHM CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000003372654 569448538 /nfs/dbraw/zinc/44/85/38/569448538.db2.gz XPQXDDJFROJSAU-NSHDSACASA-N -1 3 431.518 4.499 50 0 IIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000008705601 569470426 /nfs/dbraw/zinc/47/04/26/569470426.db2.gz ANKHVBGRJHIFFK-ZDUSSCGKSA-N -1 3 425.495 4.189 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000008723981 569471973 /nfs/dbraw/zinc/47/19/73/569471973.db2.gz OWPNTTZRZPGTNT-UHFFFAOYSA-N -1 3 445.426 4.271 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(OC)cc4)C(=O)[C@@]32C)cc1 ZINC000009109897 569501939 /nfs/dbraw/zinc/50/19/39/569501939.db2.gz ACHWGWKDDQUFBY-PPJWLVRDSA-N -1 3 444.487 4.145 50 0 IIAAHM CN(C)c1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000009126292 569504894 /nfs/dbraw/zinc/50/48/94/569504894.db2.gz PXXMLUYHVIBVRX-LJQANCHMSA-N -1 3 425.579 4.406 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1ccccc1Cl ZINC000009356487 569525574 /nfs/dbraw/zinc/52/55/74/569525574.db2.gz PXKFJYKBNLDDOK-UHFFFAOYSA-N -1 3 444.940 4.144 50 0 IIAAHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000009439313 569535078 /nfs/dbraw/zinc/53/50/78/569535078.db2.gz XJJWBIHRMRKNNH-UHFFFAOYSA-N -1 3 443.283 4.456 50 0 IIAAHM COc1ccccc1-n1ncc2c1nc(SCc1ccc(Br)cc1)[n-]c2=O ZINC000009621928 569553473 /nfs/dbraw/zinc/55/34/73/569553473.db2.gz HEMDLXVTOMRBAT-UHFFFAOYSA-N -1 3 443.326 4.172 50 0 IIAAHM COc1cc(CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)cc(OC)c1 ZINC000009621907 569553520 /nfs/dbraw/zinc/55/35/20/569553520.db2.gz UIYUAEBEOISSHL-UHFFFAOYSA-N -1 3 428.901 4.072 50 0 IIAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3ncnc4sccc43)nc(=O)c2c1C ZINC000009643529 569555949 /nfs/dbraw/zinc/55/59/49/569555949.db2.gz DQRGXUZLZOCWCJ-SECBINFHSA-N -1 3 432.552 4.328 50 0 IIAAHM Cc1nc2ccccc2c(=O)n1-c1ccc(F)c([N-]C(=O)c2ccc(Br)o2)c1 ZINC000010186560 569578415 /nfs/dbraw/zinc/57/84/15/569578415.db2.gz PFANBUWFFZUIIH-UHFFFAOYSA-N -1 3 442.244 4.441 50 0 IIAAHM O=C(Nc1ccc(F)cc1)O[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000077200404 569586354 /nfs/dbraw/zinc/58/63/54/569586354.db2.gz DNOCIVDUSHGNCS-KBPBESRZSA-N -1 3 432.926 4.379 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000078515198 569586688 /nfs/dbraw/zinc/58/66/88/569586688.db2.gz CKXJHSGYCVZABX-UHFFFAOYSA-N -1 3 440.365 4.277 50 0 IIAAHM CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000976719 132236556 /nfs/dbraw/zinc/23/65/56/132236556.db2.gz KPFJCXNJEVEOEB-NRFANRHFSA-N -1 3 428.960 4.486 50 0 IIAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000008597940 132285703 /nfs/dbraw/zinc/28/57/03/132285703.db2.gz YAQDOTMQENIVAN-UHFFFAOYSA-N -1 3 433.439 4.380 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCOc2ccc(Cl)cc2)S1 ZINC000020896292 519643247 /nfs/dbraw/zinc/64/32/47/519643247.db2.gz MWVFMWXDCSIDAH-FQEVSTJZSA-N -1 3 447.944 4.107 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3cccc(C)c3C)cc2)S1 ZINC000020895698 519643420 /nfs/dbraw/zinc/64/34/20/519643420.db2.gz OIODSHBNJROHOA-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCOc2cc(C)cc(C)c2)S1 ZINC000020896358 519643685 /nfs/dbraw/zinc/64/36/85/519643685.db2.gz QFZMJOVBAUDDHV-QFIPXVFZSA-N -1 3 441.553 4.071 50 0 IIAAHM CCCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000012541800 520394214 /nfs/dbraw/zinc/39/42/14/520394214.db2.gz DEEDLWAKEVMVFR-UHFFFAOYSA-N -1 3 439.375 4.430 50 0 IIAAHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1OC)c1ccccc1Cl ZINC000012413284 520888643 /nfs/dbraw/zinc/88/86/43/520888643.db2.gz VAYLGNRQEUUOKQ-SFHVURJKSA-N -1 3 439.961 4.445 50 0 IIAAHM CCn1cnc2cc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccc(C)cc4)C(C)C)n3)ccc21 ZINC000035453372 523573801 /nfs/dbraw/zinc/57/38/01/523573801.db2.gz VLRCSIQVEPQBGU-FQEVSTJZSA-N -1 3 439.541 4.090 50 0 IIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000022698452 524016398 /nfs/dbraw/zinc/01/63/98/524016398.db2.gz INDDGOSDVLYBEB-UHFFFAOYSA-N -1 3 437.569 4.492 50 0 IIAAHM COc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2F)cc1 ZINC000020664716 524073927 /nfs/dbraw/zinc/07/39/27/524073927.db2.gz UILNVCFXMNSVLA-UHFFFAOYSA-N -1 3 446.475 4.013 50 0 IIAAHM CS(=O)(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1F ZINC000012775109 525215573 /nfs/dbraw/zinc/21/55/73/525215573.db2.gz BLJUHUKLAITCAH-UHFFFAOYSA-N -1 3 426.535 4.046 50 0 IIAAHM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000020734946 526315881 /nfs/dbraw/zinc/31/58/81/526315881.db2.gz VHGRUYZLXPRBTO-VWLOTQADSA-N -1 3 426.520 4.173 50 0 IIAAHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1OC ZINC000001166192 555664126 /nfs/dbraw/zinc/66/41/26/555664126.db2.gz VIKPRROJTDQLBR-UHFFFAOYSA-N -1 3 440.521 4.374 50 0 IIAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCCC1=CCCCC1 ZINC000002879269 555853862 /nfs/dbraw/zinc/85/38/62/555853862.db2.gz DCJGYCHQCKLJCY-UHFFFAOYSA-N -1 3 432.517 4.012 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003118482 555888748 /nfs/dbraw/zinc/88/87/48/555888748.db2.gz CAVNZAHVEYNHSX-GOSISDBHSA-N -1 3 448.363 4.298 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3OC)cc2)cc1 ZINC000013936370 556336311 /nfs/dbraw/zinc/33/63/11/556336311.db2.gz NCKWZWCBSQZAPK-UHFFFAOYSA-N -1 3 443.550 4.314 50 0 IIAAHM C[C@@H]1Oc2ccc(NCc3nc(=O)c4c(-c5ccc(F)cc5)csc4[n-]3)cc2NC1=O ZINC000032814870 556400649 /nfs/dbraw/zinc/40/06/49/556400649.db2.gz YYUBZMLLGOKQEN-NSHDSACASA-N -1 3 436.468 4.122 50 0 IIAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000030603408 556499276 /nfs/dbraw/zinc/49/92/76/556499276.db2.gz ORUJXVDOAJIYDZ-FQEVSTJZSA-N -1 3 438.524 4.474 50 0 IIAAHM O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)[N-]c1cc(-c2cccc(F)c2)no1 ZINC000015679196 556543129 /nfs/dbraw/zinc/54/31/29/556543129.db2.gz RVSCZAZKLNDXIP-UHFFFAOYSA-N -1 3 437.383 4.020 50 0 IIAAHM COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1[N-]C(=O)c1cc(C)on1 ZINC000016400276 556605240 /nfs/dbraw/zinc/60/52/40/556605240.db2.gz UZLJZKQMCWPIRD-UHFFFAOYSA-N -1 3 433.873 4.298 50 0 IIAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccn3)c2)cc1 ZINC000017167902 556671112 /nfs/dbraw/zinc/67/11/12/556671112.db2.gz RSNLHCFXOIGHCU-UHFFFAOYSA-N -1 3 437.565 4.463 50 0 IIAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004685 556831766 /nfs/dbraw/zinc/83/17/66/556831766.db2.gz UUXQSMIRZQIUMD-UHFFFAOYSA-N -1 3 432.523 4.268 50 0 IIAAHM CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2)no1 ZINC000033086455 556856908 /nfs/dbraw/zinc/85/69/08/556856908.db2.gz FQGSAFZMGRHFOY-UHFFFAOYSA-N -1 3 440.294 4.310 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1-c1nc(C(C)C)no1 ZINC000046020333 557020922 /nfs/dbraw/zinc/02/09/22/557020922.db2.gz GVAFOXGKSRJKOS-UHFFFAOYSA-N -1 3 444.513 4.018 50 0 IIAAHM Cc1nc2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1 ZINC000023144027 557025852 /nfs/dbraw/zinc/02/58/52/557025852.db2.gz ICHCJPSWKHOXAQ-UHFFFAOYSA-N -1 3 439.924 4.289 50 0 IIAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000046075517 557031989 /nfs/dbraw/zinc/03/19/89/557031989.db2.gz JSJZELXYINWHKY-QGZVFWFLSA-N -1 3 448.548 4.052 50 0 IIAAHM COc1ccc(-c2cc(C(=O)[N-]c3nc(C)c(C(=O)OCC(C)C)s3)no2)cc1OC ZINC000046086977 557035886 /nfs/dbraw/zinc/03/58/86/557035886.db2.gz OAMOOGGCMQECRW-UHFFFAOYSA-N -1 3 445.497 4.189 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000018067548 557234958 /nfs/dbraw/zinc/23/49/58/557234958.db2.gz GIIMJJMIHWGLSE-HSALFYBXSA-N -1 3 440.286 4.440 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100722364 557271434 /nfs/dbraw/zinc/27/14/34/557271434.db2.gz CLDHLEJEAVKJKI-XPWALMASSA-N -1 3 432.451 4.276 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccccn1 ZINC000101232144 557285142 /nfs/dbraw/zinc/28/51/42/557285142.db2.gz CABXKYXOJAOEDY-XUVXKRRUSA-N -1 3 439.393 4.152 50 0 IIAAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706597 557366530 /nfs/dbraw/zinc/36/65/30/557366530.db2.gz FSPQQKSLNXBBCG-YPAWHYETSA-N -1 3 434.879 4.400 50 0 IIAAHM CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226872522 557810179 /nfs/dbraw/zinc/81/01/79/557810179.db2.gz HQSPYXVGXOZEBV-YTFSRNRJSA-N -1 3 432.451 4.276 50 0 IIAAHM Cc1c(C(=O)[N-]c2c(F)cccc2F)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002911014 562930534 /nfs/dbraw/zinc/93/05/34/562930534.db2.gz GIKQDGBAYKODIY-UHFFFAOYSA-N -1 3 429.423 4.484 50 0 IIAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(O)c3)on2)c(C(=O)OCC)c1C ZINC000008691010 562963285 /nfs/dbraw/zinc/96/32/85/562963285.db2.gz JXDLKXPVBKRGSF-UHFFFAOYSA-N -1 3 444.465 4.023 50 0 IIAAHM COc1ccc(NC(=O)Cc2cccc(F)c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000009127512 562967576 /nfs/dbraw/zinc/96/75/76/562967576.db2.gz JOIPCIZYOWSDGV-UHFFFAOYSA-N -1 3 448.903 4.470 50 0 IIAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000018948652 568629008 /nfs/dbraw/zinc/62/90/08/568629008.db2.gz SJJADQMBSDLIFN-UHFFFAOYSA-N -1 3 433.489 4.281 50 0 IIAAHM O=C(NC(=S)Nc1c([O-])ccc2ccccc21)c1ccccc1I ZINC000001004669 568651055 /nfs/dbraw/zinc/65/10/55/568651055.db2.gz RXLSYJQFJLAMJP-UHFFFAOYSA-N -1 3 448.285 4.277 50 0 IIAAHM COC(=O)[C@@]([O-])(c1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12)C(F)(F)F ZINC000003202395 568742947 /nfs/dbraw/zinc/74/29/47/568742947.db2.gz WIBUJCVQJRZCSV-IBGZPJMESA-N -1 3 425.790 4.055 50 0 IIAAHM CCOc1ccc(NC(=O)CCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000003357300 568746949 /nfs/dbraw/zinc/74/69/49/568746949.db2.gz VPBLRVCSGNXHOT-UHFFFAOYSA-N -1 3 431.341 4.089 50 0 IIAAHM O=S(=O)([N-]Cc1ccccn1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001397400 568785676 /nfs/dbraw/zinc/78/56/76/568785676.db2.gz XWVMWVYRYPOQJZ-UHFFFAOYSA-N -1 3 447.891 4.280 50 0 IIAAHM 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429.552 4.383 50 0 IIAAHM Cc1nc2ccccc2nc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000032095276 569459829 /nfs/dbraw/zinc/45/98/29/569459829.db2.gz YIFNCOJHUWRJKX-NRFANRHFSA-N -1 3 435.915 4.021 50 0 IIAAHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(N)cc2)cc(Sc2ccccc2)c1 ZINC000067351092 569469059 /nfs/dbraw/zinc/46/90/59/569469059.db2.gz PKVCAVXLMRYKRU-UHFFFAOYSA-N -1 3 428.535 4.398 50 0 IIAAHM CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)cc1 ZINC000008845154 569478722 /nfs/dbraw/zinc/47/87/22/569478722.db2.gz SIRGFRDQMXDWTO-QFIPXVFZSA-N -1 3 441.915 4.070 50 0 IIAAHM CCc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)cc1 ZINC000009124676 569504395 /nfs/dbraw/zinc/50/43/95/569504395.db2.gz YNMDLKBKCXDTNA-JOCHJYFZSA-N -1 3 425.916 4.234 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=S)NC(=O)C3CCCC3)ccc2C)c(C)c1 ZINC000009373617 569527014 /nfs/dbraw/zinc/52/70/14/569527014.db2.gz FYEGWKSBTSOXDX-UHFFFAOYSA-N -1 3 445.610 4.416 50 0 IIAAHM 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ZNZMFDYVFXGOMI-UHFFFAOYSA-N -1 3 436.599 4.103 50 0 IIAAHM CCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000012605694 520562797 /nfs/dbraw/zinc/56/27/97/520562797.db2.gz XPXHZDSZXYJOQJ-UHFFFAOYSA-N -1 3 425.348 4.040 50 0 IIAAHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1OC)c1ccccc1Cl ZINC000012413286 520842630 /nfs/dbraw/zinc/84/26/30/520842630.db2.gz VAYLGNRQEUUOKQ-GOSISDBHSA-N -1 3 439.961 4.445 50 0 IIAAHM COc1cc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c(C)cc1C ZINC000021794783 522897608 /nfs/dbraw/zinc/89/76/08/522897608.db2.gz IVDLPHDEYWJELL-UHFFFAOYSA-N -1 3 441.557 4.021 50 0 IIAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3C[C@H](C)O[C@@H](C)C3)cc2[O-])cc1 ZINC000020591195 523077175 /nfs/dbraw/zinc/07/71/75/523077175.db2.gz DZIPXANSGQRFCA-IRXDYDNUSA-N -1 3 437.540 4.254 50 0 IIAAHM CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[O-])c1 ZINC000022024236 523639221 /nfs/dbraw/zinc/63/92/21/523639221.db2.gz CLOBSUSMQREHGO-UHFFFAOYSA-N -1 3 434.876 4.262 50 0 IIAAHM COc1nn(C)cc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2Cl)s1 ZINC000021011387 525089904 /nfs/dbraw/zinc/08/99/04/525089904.db2.gz IXZXMUNALSUZIO-UHFFFAOYSA-N -1 3 430.342 4.132 50 0 IIAAHM C[C@H](NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)c1ccccn1 ZINC000012542917 525210258 /nfs/dbraw/zinc/21/02/58/525210258.db2.gz OATMMALERQDKRV-ZDUSSCGKSA-N -1 3 433.892 4.166 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCc4sccc4C3)c2)cc1 ZINC000012216168 525299280 /nfs/dbraw/zinc/29/92/80/525299280.db2.gz LCHIKVJPLVJVDP-UHFFFAOYSA-N -1 3 426.563 4.364 50 0 IIAAHM Cc1c(Cl)cccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000021651469 525774026 /nfs/dbraw/zinc/77/40/26/525774026.db2.gz BBGGGQQGTYQMBA-GOSISDBHSA-N -1 3 434.970 4.238 50 0 IIAAHM Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000021651472 525776766 /nfs/dbraw/zinc/77/67/66/525776766.db2.gz BBGGGQQGTYQMBA-SFHVURJKSA-N -1 3 434.970 4.238 50 0 IIAAHM Cc1ccc(-c2csc3[n-]c(CSc4nc5nc(C)cc(C)n5n4)nc(=O)c23)s1 ZINC000012818928 525784216 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IIAAHM Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3[O-])n2C)c(C)c1 ZINC000009328488 569522892 /nfs/dbraw/zinc/52/28/92/569522892.db2.gz IUPNUOALZPCYQZ-UHFFFAOYSA-N -1 3 432.933 4.101 50 0 IIAAHM CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccco1 ZINC000009381607 569528195 /nfs/dbraw/zinc/52/81/95/569528195.db2.gz YJSXATTVYRKCLC-UHFFFAOYSA-N -1 3 443.868 4.123 50 0 IIAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccccc1Oc1ccccc1 ZINC000009503974 569541804 /nfs/dbraw/zinc/54/18/04/569541804.db2.gz BHRJGCVSCPZJAA-UHFFFAOYSA-N -1 3 445.519 4.474 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c(C)c1 ZINC000009715043 569563061 /nfs/dbraw/zinc/56/30/61/569563061.db2.gz SIFCDQCVVCEFKW-UHFFFAOYSA-N -1 3 433.533 4.420 50 0 IIAAHM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000009892693 569573030 /nfs/dbraw/zinc/57/30/30/569573030.db2.gz IVDYEDSHDBDHHF-UHFFFAOYSA-N -1 3 440.521 4.374 50 0 IIAAHM Cc1cccc(N2CCN(C(=O)CCc3c(C)c4ccc([O-])c(C)c4oc3=O)CC2)c1C ZINC000009348260 132314095 /nfs/dbraw/zinc/31/40/95/132314095.db2.gz IZNLZWPZEHQUHE-UHFFFAOYSA-N -1 3 434.536 4.014 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCOc2ccc(C)cc2C)S1 ZINC000020896352 519643258 /nfs/dbraw/zinc/64/32/58/519643258.db2.gz TYMFSBCZZVXYSE-QFIPXVFZSA-N -1 3 441.553 4.071 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3ccc(C)cc3C)cc2)S1 ZINC000020895682 519643463 /nfs/dbraw/zinc/64/34/63/519643463.db2.gz QPNDGCSBANFFOS-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCCCOc2ccc(C)cc2C)S1 ZINC000020896237 519643561 /nfs/dbraw/zinc/64/35/61/519643561.db2.gz GKCZXIOXUULDFZ-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccc(Cl)c(C)c3)cc2)S1 ZINC000020895586 519643696 /nfs/dbraw/zinc/64/36/96/519643696.db2.gz KVRBQQJAQKZLAN-HXUWFJFHSA-N -1 3 447.944 4.107 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c(C)c1 ZINC000020922407 520920551 /nfs/dbraw/zinc/92/05/51/520920551.db2.gz YKQWJXMOYVTJEY-KRWDZBQOSA-N -1 3 441.597 4.330 50 0 IIAAHM COc1c(C)cc([N-]S(=O)(=O)c2ccc(-n3c(=O)c(C(C)C)c(C)n3C)cc2)cc1C ZINC000012445782 521796625 /nfs/dbraw/zinc/79/66/25/521796625.db2.gz WYEWNAYZAHIQOT-UHFFFAOYSA-N -1 3 443.569 4.034 50 0 IIAAHM CN(CC(=O)Nc1cccc(F)c1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000012902895 522512047 /nfs/dbraw/zinc/51/20/47/522512047.db2.gz MCCNTZWNLVZIIY-UHFFFAOYSA-N -1 3 440.475 4.000 50 0 IIAAHM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c[nH]c21 ZINC000020722697 524201732 /nfs/dbraw/zinc/20/17/32/524201732.db2.gz BUXMPRCRLAZBFR-FQEVSTJZSA-N -1 3 434.323 4.431 50 0 IIAAHM Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012850519 525558164 /nfs/dbraw/zinc/55/81/64/525558164.db2.gz SLJYUMFGWXWFED-UHFFFAOYSA-N -1 3 441.582 4.176 50 0 IIAAHM Cc1c(C(=O)NC[C@@H]2CCCO2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000012871387 525622057 /nfs/dbraw/zinc/62/20/57/525622057.db2.gz KPIRQSZQSPFVJZ-HNNXBMFYSA-N -1 3 443.594 4.111 50 0 IIAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000021603405 526003215 /nfs/dbraw/zinc/00/32/15/526003215.db2.gz QDBVPGZEHYJJNV-LBPRGKRZSA-N -1 3 425.901 4.294 50 0 IIAAHM O=C(Nc1nnc(C2CC2)s1)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000012788868 527535406 /nfs/dbraw/zinc/53/54/06/527535406.db2.gz RJICUMGDQWBDIK-OUKQBFOZSA-N -1 3 426.523 4.080 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCCC3)cc2)cc1C ZINC000000677073 555535452 /nfs/dbraw/zinc/53/54/52/555535452.db2.gz AJJJQYQFSMMMFL-UHFFFAOYSA-N -1 3 445.610 4.498 50 0 IIAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000001020217 555603355 /nfs/dbraw/zinc/60/33/55/555603355.db2.gz IJKODCHCMJFGAX-MPGHIAIKSA-N -1 3 447.240 4.406 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1 ZINC000001132847 555645718 /nfs/dbraw/zinc/64/57/18/555645718.db2.gz NGSGRENGIFRNJV-UHFFFAOYSA-N -1 3 446.912 4.167 50 0 IIAAHM O=S(=O)([N-]c1ccccc1I)c1cc(Cl)ccc1Cl ZINC000001230549 555686561 /nfs/dbraw/zinc/68/65/61/555686561.db2.gz RXKXNVKIPKYTNK-UHFFFAOYSA-N -1 3 428.078 4.399 50 0 IIAAHM O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000002079031 555736671 /nfs/dbraw/zinc/73/66/71/555736671.db2.gz VMHYPYGFOAEVFO-YQORSWRPSA-N -1 3 446.300 4.295 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)cc1 ZINC000002855079 555841096 /nfs/dbraw/zinc/84/10/96/555841096.db2.gz RTOQWQRNJBLZPV-UHFFFAOYSA-N -1 3 440.521 4.130 50 0 IIAAHM COc1ccccc1OCc1ccc(C(=O)[N-]c2ncn(Cc3cccc(Cl)c3)n2)o1 ZINC000002796310 556145673 /nfs/dbraw/zinc/14/56/73/556145673.db2.gz RNNUGQYRPCGRCZ-UHFFFAOYSA-N -1 3 438.871 4.413 50 0 IIAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]CCOC12CC3CC(CC(C3)C1)C2 ZINC000008856133 556227360 /nfs/dbraw/zinc/22/73/60/556227360.db2.gz LWQFCRYRMAATSL-UHFFFAOYSA-N -1 3 434.385 4.266 50 0 IIAAHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ccc(F)cc1F ZINC000014231866 556398216 /nfs/dbraw/zinc/39/82/16/556398216.db2.gz CKCBYHQINUQVDC-SECBINFHSA-N -1 3 449.306 4.203 50 0 IIAAHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCCO2 ZINC000014269382 556411121 /nfs/dbraw/zinc/41/11/21/556411121.db2.gz GZBWUAHGXIQPFM-UHFFFAOYSA-N -1 3 447.472 4.098 50 0 IIAAHM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C(C)C)cc(C(C)C)c3[O-])CC2)cc1 ZINC000013129469 556479165 /nfs/dbraw/zinc/47/91/65/556479165.db2.gz OZEYHOWFRNHYEA-UHFFFAOYSA-N -1 3 444.597 4.094 50 0 IIAAHM CCCN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1nc2ccsc2c(=O)[n-]1 ZINC000032873648 556480848 /nfs/dbraw/zinc/48/08/48/556480848.db2.gz ZHXFQRBZBFSPMP-UHFFFAOYSA-N -1 3 425.341 4.142 50 0 IIAAHM Cc1cccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Oc3ccc(C(C)(C)C)cc3)n2)c1 ZINC000015729880 556547434 /nfs/dbraw/zinc/54/74/34/556547434.db2.gz VJGXQSLCHNGWTB-UHFFFAOYSA-N -1 3 448.548 4.388 50 0 IIAAHM [O-]c1c(-c2n[nH]c(C(F)(F)F)c2-c2cnn(-c3ccccc3)c2)ccc2c1OCCO2 ZINC000016115358 556575490 /nfs/dbraw/zinc/57/54/90/556575490.db2.gz SVEDSZBMRGVQKO-UHFFFAOYSA-N -1 3 428.370 4.425 50 0 IIAAHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(I)c1 ZINC000016400695 556605792 /nfs/dbraw/zinc/60/57/92/556605792.db2.gz SKJRLKRLPTYMMY-UHFFFAOYSA-N -1 3 445.322 4.225 50 0 IIAAHM COc1ccc(-c2nc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)cs2)cc1OC ZINC000011758725 556652241 /nfs/dbraw/zinc/65/22/41/556652241.db2.gz DDASIJVAPLAPPD-UHFFFAOYSA-N -1 3 444.987 4.063 50 0 IIAAHM O=S(=O)([N-]c1ccc(N2CCN(C3CC3)CC2)cc1)c1cccc(Cl)c1Cl ZINC000058355124 556782470 /nfs/dbraw/zinc/78/24/70/556782470.db2.gz VRVCDNMANGHGJM-UHFFFAOYSA-N -1 3 426.369 4.079 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)cc1 ZINC000033171004 556881742 /nfs/dbraw/zinc/88/17/42/556881742.db2.gz QHRRMMOBUJBLPF-AUWJEWJLSA-N -1 3 441.509 4.311 50 0 IIAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)Nc3ccccc3F)CC2)s1 ZINC000033273139 557051123 /nfs/dbraw/zinc/05/11/23/557051123.db2.gz PQZGLSPOXODXOL-UHFFFAOYSA-N -1 3 443.479 4.480 50 0 IIAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2cccs2)s1 ZINC000033306557 557085256 /nfs/dbraw/zinc/08/52/56/557085256.db2.gz QPGKBIJIGQSJEO-SOFGYWHQSA-N -1 3 437.568 4.103 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000017721259 557112270 /nfs/dbraw/zinc/11/22/70/557112270.db2.gz MZONRPRPYPAYIM-CEXWTWQISA-N -1 3 439.265 4.093 50 0 IIAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100934095 557202785 /nfs/dbraw/zinc/20/27/85/557202785.db2.gz FSPQQKSLNXBBCG-BDTNDASRSA-N -1 3 434.879 4.400 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 ZINC000011613296 557230584 /nfs/dbraw/zinc/23/05/84/557230584.db2.gz GGOJDDGUIWYPRD-UHFFFAOYSA-N -1 3 428.514 4.125 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000018130329 557241833 /nfs/dbraw/zinc/24/18/33/557241833.db2.gz MYCSDMQSSHIWLC-WSTZPKSXSA-N -1 3 440.286 4.440 50 0 IIAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000101629388 557291930 /nfs/dbraw/zinc/29/19/30/557291930.db2.gz BHRGZTKLUQMXFY-BGYRXZFFSA-N -1 3 440.565 4.088 50 0 IIAAHM O=C(Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000101800958 557298964 /nfs/dbraw/zinc/29/89/64/557298964.db2.gz OPACHOLIOZEPGW-UHFFFAOYSA-N -1 3 428.423 4.400 50 0 IIAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000102706436 557366470 /nfs/dbraw/zinc/36/64/70/557366470.db2.gz ZOJIDIFKCOZITF-RBZQAINGSA-N -1 3 428.488 4.309 50 0 IIAAHM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4[N-][C@H]3c3ccc4c(c3)OCCO4)C2)cc1 ZINC000102754616 557383932 /nfs/dbraw/zinc/38/39/32/557383932.db2.gz NBFDBYBJEOJKKL-QRQCRPRQSA-N -1 3 446.463 4.478 50 0 IIAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1ccc(C)cc1C)c1nc(C)cs1 ZINC000103076043 557418352 /nfs/dbraw/zinc/41/83/52/557418352.db2.gz LMYFNLCFWAPBJL-SFHVURJKSA-N -1 3 429.567 4.262 50 0 IIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c1 ZINC000229975064 557834525 /nfs/dbraw/zinc/83/45/25/557834525.db2.gz WOETXSICZKRVLL-BHDDXSALSA-N -1 3 434.879 4.400 50 0 IIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1nc(SCC)ncc1Cl ZINC000008614299 562959642 /nfs/dbraw/zinc/95/96/42/562959642.db2.gz JAYJRRPXSYAMRQ-UHFFFAOYSA-N -1 3 427.935 4.244 50 0 IIAAHM O=C(COC(=O)c1ccc([O-])cc1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000013141256 562985247 /nfs/dbraw/zinc/98/52/47/562985247.db2.gz YIVMZUHSSDHPPI-UHFFFAOYSA-N -1 3 435.501 4.359 50 0 IIAAHM COc1ccc(-c2ccc(C(=O)[O-])c(N3CCC(N4CCc5ccccc5C4)CC3)n2)cc1 ZINC000299768077 568756465 /nfs/dbraw/zinc/75/64/65/568756465.db2.gz FSYFCCHJXRMWQU-UHFFFAOYSA-N -1 3 443.547 4.483 50 0 IIAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccc(OC(F)(F)F)cc21 ZINC000001424305 568793567 /nfs/dbraw/zinc/79/35/67/568793567.db2.gz QDTPOHPACPUIEJ-UHFFFAOYSA-N -1 3 446.422 4.044 50 0 IIAAHM CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N([N-]C(=O)c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000001426359 568793953 /nfs/dbraw/zinc/79/39/53/568793953.db2.gz WNZPEYYQWOLOGI-OLJONYEBSA-N -1 3 442.902 4.051 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1C ZINC000015671323 568802870 /nfs/dbraw/zinc/80/28/70/568802870.db2.gz UZUUGSOMFSYIHY-UHFFFAOYSA-N -1 3 425.558 4.321 50 0 IIAAHM COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000085876737 568838467 /nfs/dbraw/zinc/83/84/67/568838467.db2.gz HKVKWGWLBJTYSG-IBGZPJMESA-N -1 3 442.489 4.047 50 0 biogenic IIAAHM COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000085878540 568838542 /nfs/dbraw/zinc/83/85/42/568838542.db2.gz BRIFMAMZWZDHRM-KRWDZBQOSA-N -1 3 442.489 4.047 50 0 biogenic IIAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000239415462 568911533 /nfs/dbraw/zinc/91/15/33/568911533.db2.gz UNADECRQZGYGGY-TZRRMPRUSA-N -1 3 444.487 4.014 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000245313078 568914743 /nfs/dbraw/zinc/91/47/43/568914743.db2.gz ZPTSNQBCAKAQMC-DNVJHFABSA-N -1 3 432.451 4.276 50 0 IIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3cc(C)c(OC)cc3C)cc2)n1 ZINC000064802072 568961891 /nfs/dbraw/zinc/96/18/91/568961891.db2.gz KJHUSTLGLWWGHH-UHFFFAOYSA-N -1 3 441.557 4.387 50 0 IIAAHM Cc1ccc(C)c(-c2csc3[n-]c(CN(C[C@H](O)COC(C)C)C4CC4)nc(=O)c23)c1 ZINC000036206521 568973035 /nfs/dbraw/zinc/97/30/35/568973035.db2.gz SBWCBKMBKCLEJR-SFHVURJKSA-N -1 3 441.597 4.019 50 0 IIAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)c2ccc(F)cc2)s1 ZINC000064930324 568988676 /nfs/dbraw/zinc/98/86/76/568988676.db2.gz CANIHCUNHWSLAU-MRXNPFEDSA-N -1 3 432.427 4.185 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CC4)cn3)cc2)cc1C ZINC000065063514 569097605 /nfs/dbraw/zinc/09/76/05/569097605.db2.gz GUMOENXHQOJUQK-UHFFFAOYSA-N -1 3 437.521 4.184 50 0 IIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CC4)cn3)cc2)c1 ZINC000065063441 569098071 /nfs/dbraw/zinc/09/80/71/569098071.db2.gz ZIQYFQCCYRXRKE-UHFFFAOYSA-N -1 3 437.521 4.184 50 0 IIAAHM CN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2C1=O ZINC000065241537 569118790 /nfs/dbraw/zinc/11/87/90/569118790.db2.gz HNSVSUGUSHGBBV-UHFFFAOYSA-N -1 3 433.848 4.057 50 0 IIAAHM CCCc1ccc([C@H](NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c2cccs2)cc1 ZINC000089960451 569168909 /nfs/dbraw/zinc/16/89/09/569168909.db2.gz GRZITYBQZWAXEH-SQJMNOBHSA-N -1 3 447.560 4.275 50 0 IIAAHM Cc1cc(C)n(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)nn2)n1 ZINC000013010124 569306771 /nfs/dbraw/zinc/30/67/71/569306771.db2.gz KMEXCNBEVZWUFK-UHFFFAOYSA-N -1 3 434.525 4.132 50 0 IIAAHM Cc1cccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[n-]n4[C@@H]3CCOC(C)(C)C3)c(=O)[nH]c12 ZINC000096117403 569384089 /nfs/dbraw/zinc/38/40/89/569384089.db2.gz RZMRARGSWYRBCO-BEFAXECRSA-N -1 3 438.553 4.343 50 0 IIAAHM COC(=O)c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)cc1 ZINC000096222562 569387177 /nfs/dbraw/zinc/38/71/77/569387177.db2.gz DAHOWRPOKVPCDF-LJQANCHMSA-N -1 3 442.423 4.393 50 0 biogenic IIAAHM CCN(CC(=O)Nc1ccccc1OC)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000002657243 569415626 /nfs/dbraw/zinc/41/56/26/569415626.db2.gz BOAADJXRBHYSIA-UHFFFAOYSA-N -1 3 448.548 4.121 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1ccc(Cl)cc1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000003103639 569440216 /nfs/dbraw/zinc/44/02/16/569440216.db2.gz XEJGNDUHNGRYJC-GOSISDBHSA-N -1 3 430.810 4.012 50 0 IIAAHM O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009096991 569501468 /nfs/dbraw/zinc/50/14/68/569501468.db2.gz STIFVRKBCFCHJE-UHFFFAOYSA-N -1 3 428.529 4.325 50 0 IIAAHM Nc1ccc(NC(=O)CCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000009120252 569503758 /nfs/dbraw/zinc/50/37/58/569503758.db2.gz VRKFAZYCCHRBRU-UHFFFAOYSA-N -1 3 429.929 4.294 50 0 IIAAHM Cc1cnc(NC(=O)CSCc2nc(=O)c3c(-c4cccs4)csc3[n-]2)s1 ZINC000009128275 569505356 /nfs/dbraw/zinc/50/53/56/569505356.db2.gz CLMHJYZXFCVPDE-UHFFFAOYSA-N -1 3 434.593 4.350 50 0 IIAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1C ZINC000009166546 569508898 /nfs/dbraw/zinc/50/88/98/569508898.db2.gz UMCHACRRSCFFCP-UHFFFAOYSA-N -1 3 446.569 4.356 50 0 IIAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(OCC)cc3)ccc2OCC(C)(C)C1=O ZINC000009171947 569509493 /nfs/dbraw/zinc/50/94/93/569509493.db2.gz YMJREYBVEHHQKW-UHFFFAOYSA-N -1 3 432.542 4.048 50 0 IIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2)n1 ZINC000009572426 569547740 /nfs/dbraw/zinc/54/77/40/569547740.db2.gz ASFBNRUPIWJEPZ-UHFFFAOYSA-N -1 3 427.530 4.160 50 0 IIAAHM CS(=O)(=O)c1ccccc1-c1nnc([N-]C(=O)c2sc3ccccc3c2Cl)o1 ZINC000009707606 569561583 /nfs/dbraw/zinc/56/15/83/569561583.db2.gz YEWLSVQJQPTVLD-UHFFFAOYSA-N -1 3 433.898 4.261 50 0 IIAAHM CS(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3sc4ccccc4c3Cl)o2)cc1 ZINC000009707665 569561618 /nfs/dbraw/zinc/56/16/18/569561618.db2.gz XGHAITHUBSFQRP-UHFFFAOYSA-N -1 3 433.898 4.261 50 0 IIAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NC1CCCCCC1 ZINC000010078122 569577725 /nfs/dbraw/zinc/57/77/25/569577725.db2.gz GJHUZXFPIDILIQ-UHFFFAOYSA-N -1 3 436.961 4.359 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccc(F)cc2)C1 ZINC000010233930 569579626 /nfs/dbraw/zinc/57/96/26/569579626.db2.gz OKTANQWCBYVKTF-IBGZPJMESA-N -1 3 443.525 4.250 50 0 IIAAHM CC(=O)N1CCc2c(sc([N-]C(=O)c3cc(C)no3)c2-c2nc3ccccc3s2)C1 ZINC000012422423 519629888 /nfs/dbraw/zinc/62/98/88/519629888.db2.gz HHJWWDDAVVNOTJ-UHFFFAOYSA-N -1 3 438.534 4.478 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCCOc3cc(C)cc(C)c3)c2)S1 ZINC000015833038 519643495 /nfs/dbraw/zinc/64/34/95/519643495.db2.gz NKTOWICKASGOOR-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1nc2ccsc2c(=O)[n-]1 ZINC000021923453 521552468 /nfs/dbraw/zinc/55/24/68/521552468.db2.gz KXHKHNQESZSQLC-UHFFFAOYSA-N -1 3 425.341 4.142 50 0 IIAAHM C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012782694 524243152 /nfs/dbraw/zinc/24/31/52/524243152.db2.gz AVHLEYICEPDDTN-ZDUSSCGKSA-N -1 3 436.339 4.377 50 0 IIAAHM COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000012779045 524432750 /nfs/dbraw/zinc/43/27/50/524432750.db2.gz RLLKBVZPVIQRRH-UHFFFAOYSA-N -1 3 442.512 4.216 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1 ZINC000020554807 525087582 /nfs/dbraw/zinc/08/75/82/525087582.db2.gz KQTAYTYYLDPJCI-UHFFFAOYSA-N -1 3 438.553 4.189 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012776008 526003166 /nfs/dbraw/zinc/00/31/66/526003166.db2.gz UIIYLRVZEABBNY-ZJRYTYELSA-N -1 3 449.580 4.087 50 0 IIAAHM C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012557091 526014253 /nfs/dbraw/zinc/01/42/53/526014253.db2.gz YDIDUGQUXMGJHF-GFCCVEGCSA-N -1 3 434.568 4.017 50 0 IIAAHM O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(c2ccccn2)CC1 ZINC000020676519 526315279 /nfs/dbraw/zinc/31/52/79/526315279.db2.gz PNNBWZYGAQPLOV-VWLOTQADSA-N -1 3 442.519 4.090 50 0 IIAAHM O=C(Cc1cn2ccsc2n1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000021221641 527323393 /nfs/dbraw/zinc/32/33/93/527323393.db2.gz BPIFCNQCMLJSMA-UHFFFAOYSA-N -1 3 446.941 4.031 50 0 IIAAHM COc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc(Br)c1[O-] ZINC000000826799 555565225 /nfs/dbraw/zinc/56/52/25/555565225.db2.gz ATPODLZYGQBSNN-MRXNPFEDSA-N -1 3 447.314 4.240 50 0 IIAAHM CCOC(=O)[C@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002317050 555768260 /nfs/dbraw/zinc/76/82/60/555768260.db2.gz MNBSMRMMSKUFET-KRWDZBQOSA-N -1 3 434.336 4.369 50 0 IIAAHM O=c1nc(SCc2n[n-]c(=S)n2-c2ccccc2)[nH]c2sc3c(c21)CCCC3 ZINC000002665418 555796520 /nfs/dbraw/zinc/79/65/20/555796520.db2.gz KGYMOSQCTTVFQO-UHFFFAOYSA-N -1 3 427.580 4.025 50 0 IIAAHM O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000002984153 555873797 /nfs/dbraw/zinc/87/37/97/555873797.db2.gz CZFMUWFYXOIXCI-UHFFFAOYSA-N -1 3 434.876 4.297 50 0 IIAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008384573 556160339 /nfs/dbraw/zinc/16/03/39/556160339.db2.gz IJKODCHCMJFGAX-RLFYNMQTSA-N -1 3 447.240 4.406 50 0 IIAAHM O=c1[nH]c(CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)nc2ccccc21 ZINC000009189757 556252642 /nfs/dbraw/zinc/25/26/42/556252642.db2.gz IIWNSTCJOKVRLE-UHFFFAOYSA-N -1 3 427.489 4.169 50 0 IIAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000013896681 556329558 /nfs/dbraw/zinc/32/95/58/556329558.db2.gz DYOVLODOSBMNBZ-UHFFFAOYSA-N -1 3 445.322 4.443 50 0 IIAAHM Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)[N-]C4CC4)c(Cl)cc3Cl)ccc2o1 ZINC000014014791 556355570 /nfs/dbraw/zinc/35/55/70/556355570.db2.gz SGDPVZRMFMBFKD-UHFFFAOYSA-N -1 3 440.308 4.136 50 0 IIAAHM COc1ccc(-c2cc([N-]C(=O)c3cc(=O)c4cc(Cl)ccc4o3)on2)cc1OC ZINC000027985428 556438724 /nfs/dbraw/zinc/43/87/24/556438724.db2.gz QZCKQLYRTFSNHV-UHFFFAOYSA-N -1 3 426.812 4.371 50 0 IIAAHM O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000032710204 556502622 /nfs/dbraw/zinc/50/26/22/556502622.db2.gz YQKOVMDBZRYRDX-UHFFFAOYSA-N -1 3 438.531 4.103 50 0 IIAAHM COc1ccc(CCn2c(C)c(C)c3c4nc(-c5ccccc5[O-])nn4cnc32)cc1OC ZINC000013593612 556531627 /nfs/dbraw/zinc/53/16/27/556531627.db2.gz VIPWVZBXKFRTOF-UHFFFAOYSA-N -1 3 443.507 4.328 50 0 IIAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc2c(c1)OCCCO2 ZINC000016046106 556579943 /nfs/dbraw/zinc/57/99/43/556579943.db2.gz NIFDISWUTQVSEY-UHFFFAOYSA-N -1 3 432.502 4.313 50 0 IIAAHM Cc1c([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000016099540 556583006 /nfs/dbraw/zinc/58/30/06/556583006.db2.gz UAIPZJGYFJLQIJ-UHFFFAOYSA-N -1 3 440.352 4.209 50 0 IIAAHM O=C(COC(=O)c1ccc([N-]S(=O)(=O)C=Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000023080722 556998165 /nfs/dbraw/zinc/99/81/65/556998165.db2.gz ROFRMABRXQEBEO-CCEZHUSRSA-N -1 3 439.464 4.278 50 0 IIAAHM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(N4CCC(C)CC4)cc3)cc21 ZINC000032943830 557021806 /nfs/dbraw/zinc/02/18/06/557021806.db2.gz YLEWRCMFFHARKC-UHFFFAOYSA-N -1 3 445.610 4.182 50 0 IIAAHM Cc1nn(-c2cccc(F)c2)c2c1C(=C([O-])c1ccc(Br)cc1)CC(=O)N2 ZINC000046057708 557029238 /nfs/dbraw/zinc/02/92/38/557029238.db2.gz USJLTJIETPPSJN-INIZCTEOSA-N -1 3 428.261 4.391 50 0 IIAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1 ZINC000033272944 557052917 /nfs/dbraw/zinc/05/29/17/557052917.db2.gz WNKGARHFBSVRCU-UHFFFAOYSA-N -1 3 428.464 4.088 50 0 IIAAHM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3ccc(C)c(C)c3)cc2s1 ZINC000033299074 557075417 /nfs/dbraw/zinc/07/54/17/557075417.db2.gz LOASRCXXQZCSLR-UHFFFAOYSA-N -1 3 438.596 4.039 50 0 IIAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)nc(C)n1 ZINC000033324502 557106461 /nfs/dbraw/zinc/10/64/61/557106461.db2.gz QJGQGIFDHYGIOR-UHFFFAOYSA-N -1 3 425.558 4.484 50 0 IIAAHM COc1ccc(-c2csc(N3N=C4c5ccccc5C[C@@H]4[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000016957562 557158876 /nfs/dbraw/zinc/15/88/76/557158876.db2.gz ANGZXRXOAHCFFY-JXFKEZNVSA-N -1 3 431.439 4.466 50 0 IIAAHM Cc1ccc(C)c(Cc2c(C)nc(CN(Cc3ccco3)C(=O)NC(C)(C)C)[n-]c2=O)c1 ZINC000096317886 557199242 /nfs/dbraw/zinc/19/92/42/557199242.db2.gz RLWBONLDWMMADN-UHFFFAOYSA-N -1 3 436.556 4.389 50 0 IIAAHM CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018114548 557237616 /nfs/dbraw/zinc/23/76/16/557237616.db2.gz OJTVJQQTIRDHQH-QRVBRYPASA-N -1 3 429.314 4.174 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]C[C@@](O)(c2ccsc2)c2ccco2)c(Cl)cc1Cl ZINC000390829569 557249525 /nfs/dbraw/zinc/24/95/25/557249525.db2.gz ZUULCHQQDKAACH-QGZVFWFLSA-N -1 3 432.350 4.171 50 0 IIAAHM Cn1c2ccccc2s/c1=N/C(=S)[N-]C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000011667648 557325154 /nfs/dbraw/zinc/32/51/54/557325154.db2.gz AZZROXSEXAOLER-WJTDDFOZSA-N -1 3 431.542 4.086 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C\c3ccc4c(c3)OCO4)cc2)cc1 ZINC000033291076 557330201 /nfs/dbraw/zinc/33/02/01/557330201.db2.gz KCBOPLBDOPKNNV-ACAGNQJTSA-N -1 3 436.489 4.176 50 0 IIAAHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(C)c1 ZINC000102706502 557366422 /nfs/dbraw/zinc/36/64/22/557366422.db2.gz QDYNHOKMRBDKAV-QPTUXGOLSA-N -1 3 428.488 4.369 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000102707088 557366740 /nfs/dbraw/zinc/36/67/40/557366740.db2.gz MSOIFKSYWYSVLK-TZRRMPRUSA-N -1 3 444.487 4.145 50 0 IIAAHM O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000023890449 557378532 /nfs/dbraw/zinc/37/85/32/557378532.db2.gz VGBMDKCODREAKB-UHFFFAOYSA-N -1 3 436.468 4.065 50 0 IIAAHM CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102761293 557385174 /nfs/dbraw/zinc/38/51/74/557385174.db2.gz HQSPYXVGXOZEBV-DNVJHFABSA-N -1 3 432.451 4.276 50 0 IIAAHM COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)c2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000002306034 562926871 /nfs/dbraw/zinc/92/68/71/562926871.db2.gz KLORHFAWQZYNNC-QGZVFWFLSA-N -1 3 436.213 4.193 50 0 IIAAHM C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc2NC1=O ZINC000015730696 568814086 /nfs/dbraw/zinc/81/40/86/568814086.db2.gz ZWYHCYKBLCQHOA-VIFPVBQESA-N -1 3 445.335 4.069 50 0 IIAAHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000026319724 568876744 /nfs/dbraw/zinc/87/67/44/568876744.db2.gz YIIFWURMHUXTJJ-UHFFFAOYSA-N -1 3 432.895 4.302 50 0 IIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc([C@H](O)c2cccs2)s1 ZINC000090613696 568892487 /nfs/dbraw/zinc/89/24/87/568892487.db2.gz AXTQAOWFDFWUNJ-QGZVFWFLSA-N -1 3 429.972 4.032 50 0 IIAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccccc3O)nc(N3CCCCCC3)n2)cc1 ZINC000252625852 568926254 /nfs/dbraw/zinc/92/62/54/568926254.db2.gz QQJFJEIPVOTWKC-UHFFFAOYSA-N -1 3 448.487 4.055 50 0 IIAAHM Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(NC(=O)C(C)C)cc43)CC2)c1C ZINC000036354185 569084111 /nfs/dbraw/zinc/08/41/11/569084111.db2.gz JVTNAKXXBQQJHM-XMMPIXPASA-N -1 3 448.567 4.327 50 0 IIAAHM CCC(CC)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccc(C)c1 ZINC000170619410 569147640 /nfs/dbraw/zinc/14/76/40/569147640.db2.gz SJSRGOSXONKWPG-QFIPXVFZSA-N -1 3 427.570 4.480 50 0 IIAAHM O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(c1ccc([O-])cc1)S(=O)(=O)c1ccccc1 ZINC000170629415 569148864 /nfs/dbraw/zinc/14/88/64/569148864.db2.gz BXQKQMOXZPUSJU-ZWKOTPCHSA-N -1 3 429.444 4.196 50 0 IIAAHM C[C@@H](Sc1nnnn1-c1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009883562 569150067 /nfs/dbraw/zinc/15/00/67/569150067.db2.gz FPNDDJLFKWSDND-CYBMUJFWSA-N -1 3 432.534 4.481 50 0 IIAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)n1 ZINC000017010196 569170217 /nfs/dbraw/zinc/17/02/17/569170217.db2.gz NELGONUFOPOLCV-UHFFFAOYSA-N -1 3 425.558 4.321 50 0 IIAAHM N[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000095908753 569180016 /nfs/dbraw/zinc/18/00/16/569180016.db2.gz OXFFQNROWDDLTM-OALUTQOASA-N -1 3 442.409 4.102 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000002372242 569289260 /nfs/dbraw/zinc/28/92/60/569289260.db2.gz ZXHZFLCORQNOFT-CMKODMSKSA-N -1 3 440.286 4.440 50 0 IIAAHM Cc1cc(C)n(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3)nn2)n1 ZINC000013010128 569306680 /nfs/dbraw/zinc/30/66/80/569306680.db2.gz AZNXSPFLSKQNMD-UHFFFAOYSA-N -1 3 448.552 4.440 50 0 IIAAHM CCOC(=O)c1[n-]c(COC(=O)/C=C/c2nc3ccccc3s2)c(C(=O)OCC)c1C ZINC000013108625 569310253 /nfs/dbraw/zinc/31/02/53/569310253.db2.gz MAUCRDWVSVMVFR-ZHACJKMWSA-N -1 3 442.493 4.043 50 0 IIAAHM COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccccc2Cl)cc(=O)c1[O-] ZINC000095476047 569372872 /nfs/dbraw/zinc/37/28/72/569372872.db2.gz CYAYEADXUPIMPV-HNNXBMFYSA-N -1 3 431.897 4.381 50 0 IIAAHM O=C(CCc1nc(CSc2nnc(-c3ccco3)[n-]2)no1)Nc1ccc(Cl)cc1F ZINC000095481951 569374165 /nfs/dbraw/zinc/37/41/65/569374165.db2.gz ARLCWWTUGZTPIF-UHFFFAOYSA-N -1 3 448.867 4.104 50 0 IIAAHM O=C(CCc1nc(CSc2nc(-c3ccco3)n[n-]2)no1)Nc1ccc(Cl)cc1F ZINC000095481951 569374166 /nfs/dbraw/zinc/37/41/66/569374166.db2.gz ARLCWWTUGZTPIF-UHFFFAOYSA-N -1 3 448.867 4.104 50 0 IIAAHM O=C(CCc1nc(CSc2n[n-]c(-c3ccco3)n2)no1)Nc1ccc(Cl)cc1F ZINC000095481951 569374167 /nfs/dbraw/zinc/37/41/67/569374167.db2.gz ARLCWWTUGZTPIF-UHFFFAOYSA-N -1 3 448.867 4.104 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCCOc2ccccc2)S1 ZINC000020896222 569375156 /nfs/dbraw/zinc/37/51/56/569375156.db2.gz DSQLHSFKURTFIQ-FQEVSTJZSA-N -1 3 447.944 4.189 50 0 IIAAHM O=C(c1cccs1)c1ccc(C[N-]S(=O)(=O)c2ccccc2Br)s1 ZINC000096097194 569381456 /nfs/dbraw/zinc/38/14/56/569381456.db2.gz CNGZBNYKWOAYSY-UHFFFAOYSA-N -1 3 442.381 4.282 50 0 IIAAHM Cc1cccc2cc([C@H]3SC(C)=Nc4c3c(=O)[n-]n4[C@@H]3CCOC(C)(C)C3)c(=O)[nH]c12 ZINC000096117402 569384134 /nfs/dbraw/zinc/38/41/34/569384134.db2.gz RZMRARGSWYRBCO-DNVCBOLYSA-N -1 3 438.553 4.343 50 0 IIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc3ccccc3n(C)c2=O)S1 ZINC000096117281 569384136 /nfs/dbraw/zinc/38/41/36/569384136.db2.gz PRUWJVJQVNMZJR-BEFAXECRSA-N -1 3 438.553 4.045 50 0 IIAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1ccc(C)c(C)c1)C3 ZINC000096326900 569396266 /nfs/dbraw/zinc/39/62/66/569396266.db2.gz XYDNKEZHFGMUBL-UHFFFAOYSA-N -1 3 425.916 4.216 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)sc2c1 ZINC000096399482 569399993 /nfs/dbraw/zinc/39/99/93/569399993.db2.gz AOTHQGDFBVPZND-UHFFFAOYSA-N -1 3 427.960 4.052 50 0 IIAAHM CCOc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)cc1 ZINC000002718065 569418077 /nfs/dbraw/zinc/41/80/77/569418077.db2.gz PGQGYEGYPHMUPM-UHFFFAOYSA-N -1 3 449.536 4.267 50 0 IIAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccc(C)cc3)c2)cc1 ZINC000003022240 569436001 /nfs/dbraw/zinc/43/60/01/569436001.db2.gz KNTJLKZQJQHPKL-UHFFFAOYSA-N -1 3 426.513 4.427 50 0 IIAAHM COc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OCc1ccccc1 ZINC000003679500 569456117 /nfs/dbraw/zinc/45/61/17/569456117.db2.gz KGMBSNJALLHNFO-URXFXBBRSA-N -1 3 428.488 4.444 50 0 biogenic IIAAHM CCOC(=O)[C@]([N-]c1cccc(Cl)c1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000004208110 569460946 /nfs/dbraw/zinc/46/09/46/569460946.db2.gz DZEUPSZTHMPXLG-SFHVURJKSA-N -1 3 430.810 4.012 50 0 IIAAHM Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1[C@]([O-])(c1nc2ccccc2s1)C(F)(F)F ZINC000008778688 569475545 /nfs/dbraw/zinc/47/55/45/569475545.db2.gz NDNAPEIXOKYZKN-IBGZPJMESA-N -1 3 444.442 4.047 50 0 IIAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4cc(Cl)cc(Cl)c4)s3)nc2n1 ZINC000040050530 569484227 /nfs/dbraw/zinc/48/42/27/569484227.db2.gz WGMQNMCSKMUHCK-UHFFFAOYSA-N -1 3 433.324 4.348 50 0 IIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccsc1)N1CCCCCC1 ZINC000008901681 569484343 /nfs/dbraw/zinc/48/43/43/569484343.db2.gz KGSNDEUBDPLTMC-QGZVFWFLSA-N -1 3 429.007 4.306 50 0 IIAAHM Cc1nnc([N-]C(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)s1 ZINC000009101351 569501790 /nfs/dbraw/zinc/50/17/90/569501790.db2.gz SKLQCYDERXURPR-UHFFFAOYSA-N -1 3 441.463 4.201 50 0 IIAAHM CSc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1 ZINC000009243700 569514988 /nfs/dbraw/zinc/51/49/88/569514988.db2.gz LPNRYQAVONWYSK-FQEVSTJZSA-N -1 3 429.929 4.004 50 0 IIAAHM COC(=O)c1[n-]c(COc2ncnc3scc(-c4ccccc4)c32)c(C(=O)OC)c1C ZINC000009318386 569522508 /nfs/dbraw/zinc/52/25/08/569522508.db2.gz NRAFMFMNKNYIET-UHFFFAOYSA-N -1 3 437.477 4.147 50 0 IIAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000009490642 569540239 /nfs/dbraw/zinc/54/02/39/569540239.db2.gz YATCJCHSQLLLMH-UHFFFAOYSA-N -1 3 431.304 4.391 50 0 IIAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000009490642 569540240 /nfs/dbraw/zinc/54/02/40/569540240.db2.gz YATCJCHSQLLLMH-UHFFFAOYSA-N -1 3 431.304 4.391 50 0 IIAAHM CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[N-]c2nnc(C3CC3)s2)ccc1Cl ZINC000009508723 569542433 /nfs/dbraw/zinc/54/24/33/569542433.db2.gz BDPAIFYGDKLKPQ-UHFFFAOYSA-N -1 3 448.957 4.146 50 0 IIAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccccc3O)on2)c(C(=O)OCC)c1C ZINC000009597900 569550989 /nfs/dbraw/zinc/55/09/89/569550989.db2.gz NVLAXHKBEPHPJN-UHFFFAOYSA-N -1 3 444.465 4.023 50 0 IIAAHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000009667885 569557854 /nfs/dbraw/zinc/55/78/54/569557854.db2.gz QSDHXNGLIBKCRF-MRXNPFEDSA-N -1 3 444.940 4.397 50 0 IIAAHM O=C(NC1CC1)c1cccc(NCc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)c1 ZINC000009847339 569571132 /nfs/dbraw/zinc/57/11/32/569571132.db2.gz FTTCCHJPBYVPRC-UHFFFAOYSA-N -1 3 434.496 4.295 50 0 IIAAHM O=S(=O)([N-]CC[C@H](O)c1cccc2ccccc21)c1ccc(Br)s1 ZINC000077118160 569585681 /nfs/dbraw/zinc/58/56/81/569585681.db2.gz PJVGCXCVJSLCDS-HNNXBMFYSA-N -1 3 426.357 4.066 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)c(C)c1 ZINC000009406966 132315867 /nfs/dbraw/zinc/31/58/67/132315867.db2.gz BWWPZJCFUQBNQL-MRXNPFEDSA-N -1 3 447.626 4.489 50 0 IIAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3C)cc2)nc(C)n1 ZINC000012226366 520766556 /nfs/dbraw/zinc/76/65/56/520766556.db2.gz FVFFUOQQJSACJW-UHFFFAOYSA-N -1 3 442.541 4.354 50 0 IIAAHM CCc1nc(-c2cc(S(=O)(=O)[N-]c3c(Cl)cc(OC)cc3OC)c(C)s2)no1 ZINC000035539351 522141802 /nfs/dbraw/zinc/14/18/02/522141802.db2.gz AKBJQSASPUFFFF-UHFFFAOYSA-N -1 3 443.934 4.140 50 0 IIAAHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000012738140 523508712 /nfs/dbraw/zinc/50/87/12/523508712.db2.gz HUIJHLAGELUAHB-ZDUSSCGKSA-N -1 3 432.336 4.112 50 0 IIAAHM Cc1ccc(Cl)c(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1Cl ZINC000012795380 524702494 /nfs/dbraw/zinc/70/24/94/524702494.db2.gz CAIVFSXSUVBBGT-UHFFFAOYSA-N -1 3 436.339 4.297 50 0 IIAAHM C[C@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1cccnc1Cl ZINC000012507910 525657082 /nfs/dbraw/zinc/65/70/82/525657082.db2.gz XUEWUWYXAIRXGK-ZDUSSCGKSA-N -1 3 448.907 4.114 50 0 IIAAHM Cc1nc(-c2cccnc2)sc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016992274 526612761 /nfs/dbraw/zinc/61/27/61/526612761.db2.gz OSGFEHPMTSXYQM-UHFFFAOYSA-N -1 3 428.366 4.341 50 0 IIAAHM O=S(=O)([N-]C[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000022767504 527221836 /nfs/dbraw/zinc/22/18/36/527221836.db2.gz CMAQEORSIYDGAF-FQEVSTJZSA-N -1 3 434.533 4.104 50 0 IIAAHM O=c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000022040438 527438205 /nfs/dbraw/zinc/43/82/05/527438205.db2.gz CZZIROCVPGKGLM-JXMROGBWSA-N -1 3 442.588 4.483 50 0 IIAAHM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(c2ccccn2)CC1 ZINC000020676523 527657232 /nfs/dbraw/zinc/65/72/32/527657232.db2.gz PNNBWZYGAQPLOV-RUZDIDTESA-N -1 3 442.519 4.090 50 0 IIAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000000653263 555523845 /nfs/dbraw/zinc/52/38/45/555523845.db2.gz OPLXCSDAUOZKDF-MRXNPFEDSA-N -1 3 447.207 4.094 50 0 IIAAHM COc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)c1 ZINC000001060228 555616008 /nfs/dbraw/zinc/61/60/08/555616008.db2.gz XHDWQPCVGPFCOU-UHFFFAOYSA-N -1 3 432.505 4.379 50 0 IIAAHM CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])n2C)c1 ZINC000001125366 555640565 /nfs/dbraw/zinc/64/05/65/555640565.db2.gz CRRNQZWRKYTMQF-UHFFFAOYSA-N -1 3 432.505 4.274 50 0 IIAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccccc3)on2)c(C(=O)OCC)c1C ZINC000001126425 555641071 /nfs/dbraw/zinc/64/10/71/555641071.db2.gz HMKAGGIGTYCQTJ-UHFFFAOYSA-N -1 3 428.466 4.317 50 0 IIAAHM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000001166513 555664305 /nfs/dbraw/zinc/66/43/05/555664305.db2.gz GRJYMKYERKTYRX-SXGWCWSVSA-N -1 3 447.310 4.138 50 0 IIAAHM Cc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000001446570 555699293 /nfs/dbraw/zinc/69/92/93/555699293.db2.gz AQSFQFLWMWLVMT-HNNXBMFYSA-N -1 3 432.760 4.113 50 0 IIAAHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000002871274 555849764 /nfs/dbraw/zinc/84/97/64/555849764.db2.gz SMCNBNOSHNUWTG-UHFFFAOYSA-N -1 3 438.505 4.016 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)cc1 ZINC000002887655 555858652 /nfs/dbraw/zinc/85/86/52/555858652.db2.gz FXBGUQMKZQMTRA-UHFFFAOYSA-N -1 3 444.940 4.144 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3F)cc2)cc1 ZINC000013936367 556336378 /nfs/dbraw/zinc/33/63/78/556336378.db2.gz RSSOCPKSJOHCLZ-UHFFFAOYSA-N -1 3 431.514 4.444 50 0 IIAAHM Cc1cc(NC(=O)CCS[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)no1 ZINC000032778798 556351786 /nfs/dbraw/zinc/35/17/86/556351786.db2.gz MMUXMPJVEPLCCS-LLVKDONJSA-N -1 3 430.511 4.364 50 0 IIAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000011990768 556383822 /nfs/dbraw/zinc/38/38/22/556383822.db2.gz IJKODCHCMJFGAX-DAYGRLMNSA-N -1 3 447.240 4.406 50 0 IIAAHM O=S(=O)([N-]CCSCc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000014186307 556386043 /nfs/dbraw/zinc/38/60/43/556386043.db2.gz YLQRGBLDZVKKQM-UHFFFAOYSA-N -1 3 426.810 4.376 50 0 IIAAHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ccc(F)cc1F ZINC000014231869 556398267 /nfs/dbraw/zinc/39/82/67/556398267.db2.gz CKCBYHQINUQVDC-VIFPVBQESA-N -1 3 449.306 4.203 50 0 IIAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032845943 556429716 /nfs/dbraw/zinc/42/97/16/556429716.db2.gz VFIHFGHTRATQRD-DEOSSOPVSA-N -1 3 439.471 4.144 50 0 IIAAHM Cc1cc(Cl)ccc1OCc1nc(SCC(=O)N2CCC(c3ccccc3)=N2)n[n-]1 ZINC000013069143 556452575 /nfs/dbraw/zinc/45/25/75/556452575.db2.gz AHTQKIGDUGCQAD-UHFFFAOYSA-N -1 3 441.944 4.074 50 0 IIAAHM CSCc1nc(=O)c2c(C)c(C(=O)Nc3ccc(Br)cc3C)sc2[n-]1 ZINC000013112811 556465893 /nfs/dbraw/zinc/46/58/93/556465893.db2.gz GRWJMWYXILVOEP-UHFFFAOYSA-N -1 3 438.372 4.479 50 0 IIAAHM COc1ccccc1OCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015702149 556544261 /nfs/dbraw/zinc/54/42/61/556544261.db2.gz QYWQYVYSAVIWHG-UHFFFAOYSA-N -1 3 444.484 4.043 50 0 IIAAHM Cc1cccc(OCCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000016277516 556596472 /nfs/dbraw/zinc/59/64/72/556596472.db2.gz ZZVCZXFEHJLYID-UHFFFAOYSA-N -1 3 442.512 4.134 50 0 IIAAHM CCc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1 ZINC000032975620 556600143 /nfs/dbraw/zinc/60/01/43/556600143.db2.gz XIDYNBWCYUQVRT-NHCUHLMSSA-N -1 3 440.565 4.033 50 0 IIAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000032975613 556600150 /nfs/dbraw/zinc/60/01/50/556600150.db2.gz BHRGZTKLUQMXFY-WOJBJXKFSA-N -1 3 440.565 4.088 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000136636874 556690952 /nfs/dbraw/zinc/69/09/52/556690952.db2.gz KUSNJMJTTHZZMZ-PWRODBHTSA-N -1 3 448.862 4.089 50 0 IIAAHM O=C([N-]c1ccc(F)cc1F)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088565 556858069 /nfs/dbraw/zinc/85/80/69/556858069.db2.gz DLESOHITIAMMQS-UHFFFAOYSA-N -1 3 425.342 4.402 50 0 IIAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)s1 ZINC000033114127 556860925 /nfs/dbraw/zinc/86/09/25/556860925.db2.gz VHRSLDRISQJPSJ-UHFFFAOYSA-N -1 3 425.489 4.341 50 0 IIAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)cc1 ZINC000033170996 556881800 /nfs/dbraw/zinc/88/18/00/556881800.db2.gz SWTFWNFENGHGRE-ZROIWOOFSA-N -1 3 425.510 4.475 50 0 IIAAHM COc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccccc2)c1 ZINC000097105762 556987938 /nfs/dbraw/zinc/98/79/38/556987938.db2.gz GJTRJKLDRIQRKD-QHCPKHFHSA-N -1 3 449.532 4.058 50 0 IIAAHM O=S(=O)([N-][C@H]1CCc2ccccc21)c1cc(Br)ccc1Br ZINC000010752476 557025029 /nfs/dbraw/zinc/02/50/29/557025029.db2.gz ZZNLENBRGIDQEF-AWEZNQCLSA-N -1 3 431.149 4.177 50 0 IIAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000023157161 557029934 /nfs/dbraw/zinc/02/99/34/557029934.db2.gz HLMKQPCDVLZVDM-IBGZPJMESA-N -1 3 442.585 4.293 50 0 IIAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1C ZINC000046075604 557032496 /nfs/dbraw/zinc/03/24/96/557032496.db2.gz GAQUHGXJVZADQI-GOSISDBHSA-N -1 3 448.548 4.052 50 0 IIAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)sc2c1CCCC2 ZINC000046086952 557035844 /nfs/dbraw/zinc/03/58/44/557035844.db2.gz ZRFYVQCAAQELCS-UHFFFAOYSA-N -1 3 442.493 4.338 50 0 IIAAHM Cc1cccc(CC(=O)N2CCC(c3nnc(C(=O)[N-]c4ccccc4F)s3)CC2)c1 ZINC000033272952 557052802 /nfs/dbraw/zinc/05/28/02/557052802.db2.gz OLQRGALVPYZZES-UHFFFAOYSA-N -1 3 438.528 4.187 50 0 IIAAHM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2s1 ZINC000033299022 557075037 /nfs/dbraw/zinc/07/50/37/557075037.db2.gz ZCDRPICCBANNLB-UHFFFAOYSA-N -1 3 438.596 4.206 50 0 IIAAHM Cc1ccc(C(=O)OCc2cc(=O)oc3c(C)c([O-])ccc23)cc1NC(=O)c1ccco1 ZINC000011284157 557076749 /nfs/dbraw/zinc/07/67/49/557076749.db2.gz UCOBUIDBFLMGSS-UHFFFAOYSA-N -1 3 433.416 4.318 50 0 IIAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)nc(C)n1 ZINC000033326883 557108632 /nfs/dbraw/zinc/10/86/32/557108632.db2.gz FXYCRTVGGZMQOK-UHFFFAOYSA-N -1 3 447.511 4.454 50 0 IIAAHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc([C@H]4CCCO4)s3)s2)cc1OC ZINC000049544866 557111179 /nfs/dbraw/zinc/11/11/79/557111179.db2.gz MBBJDDLBVPXNKC-CYBMUJFWSA-N -1 3 432.527 4.091 50 0 IIAAHM O=C(c1ccccc1Nc1ccccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450521 557149104 /nfs/dbraw/zinc/14/91/04/557149104.db2.gz QSGCJLFMWQKNOD-UHFFFAOYSA-N -1 3 441.578 4.075 50 0 IIAAHM CCCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000024927607 557180518 /nfs/dbraw/zinc/18/05/18/557180518.db2.gz FKFPTQDLBPYZIT-UHFFFAOYSA-N -1 3 425.341 4.142 50 0 IIAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)c1ccccc1 ZINC000027174833 557258553 /nfs/dbraw/zinc/25/85/53/557258553.db2.gz HMAWERIUZNBDHK-INIZCTEOSA-N -1 3 447.409 4.056 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000102728211 557370534 /nfs/dbraw/zinc/37/05/34/557370534.db2.gz FYHTYUXWMHZIRA-XUVXKRRUSA-N -1 3 440.286 4.440 50 0 IIAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000102729468 557370928 /nfs/dbraw/zinc/37/09/28/557370928.db2.gz IOKLKWPWAMGOPM-TZRRMPRUSA-N -1 3 443.503 4.312 50 0 IIAAHM COc1cc(OC)c([C@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc1OC ZINC000102750347 557382530 /nfs/dbraw/zinc/38/25/30/557382530.db2.gz LXEUJDXWEIOABN-PRWKNARSSA-N -1 3 438.440 4.317 50 0 IIAAHM Cc1ccccc1C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccs1 ZINC000225495542 557730245 /nfs/dbraw/zinc/73/02/45/557730245.db2.gz WTGSBUACTYSRQR-FQEVSTJZSA-N -1 3 439.562 4.420 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccccc2)C1 ZINC000225516478 557733722 /nfs/dbraw/zinc/73/37/22/557733722.db2.gz AKQXULNUHYQPEX-IBGZPJMESA-N -1 3 425.535 4.111 50 0 IIAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000226820772 557809439 /nfs/dbraw/zinc/80/94/39/557809439.db2.gz FSPQQKSLNXBBCG-BHDDXSALSA-N -1 3 434.879 4.400 50 0 IIAAHM CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000226981366 557811595 /nfs/dbraw/zinc/81/15/95/557811595.db2.gz HZCHVXGZXPEOCQ-CEXWTWQISA-N -1 3 429.314 4.318 50 0 IIAAHM C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015045409 568634559 /nfs/dbraw/zinc/63/45/59/568634559.db2.gz DOXMJCLVFYFKNS-CYBMUJFWSA-N -1 3 436.339 4.377 50 0 IIAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(NC(=O)c3ccccn3)c2)c1 ZINC000015898598 568858273 /nfs/dbraw/zinc/85/82/73/568858273.db2.gz GDJTZVDAWZSBHY-UHFFFAOYSA-N -1 3 446.326 4.206 50 0 IIAAHM Cc1cc(C)n(-c2nc(CC[N-]S(=O)(=O)c3cc(C)c(Cl)cc3Cl)cs2)n1 ZINC000090609401 568891792 /nfs/dbraw/zinc/89/17/92/568891792.db2.gz ITDPBZAHTCRHTB-UHFFFAOYSA-N -1 3 445.397 4.082 50 0 IIAAHM O=C(/C=C/c1ccccc1Br)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000016112341 568893652 /nfs/dbraw/zinc/89/36/52/568893652.db2.gz IETKJOKCQYZLOM-MDZDMXLPSA-N -1 3 429.314 4.045 50 0 IIAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000089499573 568927696 /nfs/dbraw/zinc/92/76/96/568927696.db2.gz KNAWFOMQWDEAED-UHFFFAOYSA-N -1 3 438.531 4.302 50 0 IIAAHM Cc1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc43)CC2)c(C)c1 ZINC000036352640 569083756 /nfs/dbraw/zinc/08/37/56/569083756.db2.gz LTOCXTVVMVPTRJ-DEOSSOPVSA-N -1 3 448.567 4.327 50 0 IIAAHM COCC[N-]S(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)s1 ZINC000064999733 569086262 /nfs/dbraw/zinc/08/62/62/569086262.db2.gz RKACBVRASBXIGG-UHFFFAOYSA-N -1 3 444.578 4.209 50 0 IIAAHM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000065115993 569107054 /nfs/dbraw/zinc/10/70/54/569107054.db2.gz NJSQNPXFCGZYLF-UHFFFAOYSA-N -1 3 449.916 4.380 50 0 IIAAHM Cc1nn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nn2)c(C)c1C ZINC000013010072 569306779 /nfs/dbraw/zinc/30/67/79/569306779.db2.gz YZMACHDKKZBESI-UHFFFAOYSA-N -1 3 434.525 4.132 50 0 IIAAHM CC(C)[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cccc(Cl)c2)c1Cl ZINC000078803226 569318976 /nfs/dbraw/zinc/31/89/76/569318976.db2.gz BGTBTQQESNPMCB-UHFFFAOYSA-N -1 3 449.787 4.306 50 0 IIAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)sc2c1 ZINC000096399489 569399975 /nfs/dbraw/zinc/39/99/75/569399975.db2.gz CWNMFXUABALIPW-UHFFFAOYSA-N -1 3 445.950 4.191 50 0 IIAAHM O=c1nc(CN2CCN(c3ccccc3F)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000002653726 569415166 /nfs/dbraw/zinc/41/51/66/569415166.db2.gz CZPCKXPWZPGGTJ-UHFFFAOYSA-N -1 3 426.542 4.174 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000002717847 569417934 /nfs/dbraw/zinc/41/79/34/569417934.db2.gz SGVQVLWREUDJHR-UHFFFAOYSA-N -1 3 425.901 4.214 50 0 IIAAHM Cc1cc(C)cc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)c1 ZINC000002718073 569418071 /nfs/dbraw/zinc/41/80/71/569418071.db2.gz HOBDZCSSLKPFTB-UHFFFAOYSA-N -1 3 433.537 4.486 50 0 IIAAHM CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000003022697 569436045 /nfs/dbraw/zinc/43/60/45/569436045.db2.gz ISGCBRQVLIHENC-UHFFFAOYSA-N -1 3 430.476 4.258 50 0 IIAAHM CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)cc1 ZINC000008845153 569478710 /nfs/dbraw/zinc/47/87/10/569478710.db2.gz SIRGFRDQMXDWTO-JOCHJYFZSA-N -1 3 441.915 4.070 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000008852901 569479487 /nfs/dbraw/zinc/47/94/87/569479487.db2.gz RQLVDVQWZDXSQG-LLVKDONJSA-N -1 3 443.891 4.433 50 0 IIAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccccc1Cc1ccccc1 ZINC000008942353 569488678 /nfs/dbraw/zinc/48/86/78/569488678.db2.gz YNUCYSJMRMHCNH-UHFFFAOYSA-N -1 3 443.547 4.272 50 0 IIAAHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccc(C)cc1 ZINC000008955512 569490095 /nfs/dbraw/zinc/49/00/95/569490095.db2.gz DOIOPYRSAOWFFS-INIZCTEOSA-N -1 3 446.352 4.283 50 0 IIAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1Cl ZINC000009013127 569496662 /nfs/dbraw/zinc/49/66/62/569496662.db2.gz TZDZLTODDJYGLI-MRXNPFEDSA-N -1 3 438.233 4.071 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1C ZINC000009168153 569509091 /nfs/dbraw/zinc/50/90/91/569509091.db2.gz WPRHOJWLSXFVMA-UHFFFAOYSA-N -1 3 446.569 4.212 50 0 IIAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1C ZINC000009170859 569509359 /nfs/dbraw/zinc/50/93/59/569509359.db2.gz BRIFYCNWYFIMCK-UHFFFAOYSA-N -1 3 446.569 4.274 50 0 IIAAHM O=C(NCc1cccs1)c1cc(S(=O)(=O)[N-]Cc2ccco2)c(Cl)cc1Cl ZINC000009377239 569527442 /nfs/dbraw/zinc/52/74/42/569527442.db2.gz XQNXDCALLAMQPH-UHFFFAOYSA-N -1 3 445.349 4.056 50 0 IIAAHM CCn1c2cc(OC)ccc2c(CNCc2cc(Br)ccc2OC)c1C(=O)[O-] ZINC000009532696 569545379 /nfs/dbraw/zinc/54/53/79/569545379.db2.gz KTQODSOCBOXUNB-UHFFFAOYSA-N -1 3 447.329 4.429 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1Cl ZINC000009666081 569557634 /nfs/dbraw/zinc/55/76/34/569557634.db2.gz VOVQJRDOJDRCDU-UHFFFAOYSA-N -1 3 425.901 4.214 50 0 IIAAHM O=C(COc1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000009815484 569569196 /nfs/dbraw/zinc/56/91/96/569569196.db2.gz KLYCNOJFTZSGBD-UHFFFAOYSA-N -1 3 440.496 4.133 50 0 IIAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000010078006 569577710 /nfs/dbraw/zinc/57/77/10/569577710.db2.gz XQIBRNKGUQANOY-UHFFFAOYSA-N -1 3 432.448 4.092 50 0 IIAAHM Cc1nc2ccccc2c(=O)n1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010186582 569578418 /nfs/dbraw/zinc/57/84/18/569578418.db2.gz IDBMIUCQUBWHGT-UHFFFAOYSA-N -1 3 443.887 4.287 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCOc2cc(C)cc(C)c2)S1 ZINC000020896355 519642985 /nfs/dbraw/zinc/64/29/85/519642985.db2.gz QFZMJOVBAUDDHV-JOCHJYFZSA-N -1 3 441.553 4.071 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCCOc3cc(C)ccc3C)c2)S1 ZINC000020896547 519643586 /nfs/dbraw/zinc/64/35/86/519643586.db2.gz SDDWTFXRKVVVTI-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(C)c(OC)cc3C)cc2)nc(C)n1 ZINC000012226326 520765468 /nfs/dbraw/zinc/76/54/68/520765468.db2.gz OKIKWRQMZKEBJY-UHFFFAOYSA-N -1 3 442.541 4.354 50 0 IIAAHM COc1cc2c(cc1OC)CN(Cc1nc(=O)c3cc(-c4ccccc4)sc3[n-]1)CC2 ZINC000012582747 523033617 /nfs/dbraw/zinc/03/36/17/523033617.db2.gz ZFICRSJSBKLLJO-UHFFFAOYSA-N -1 3 433.533 4.227 50 0 IIAAHM CCn1cnc2cc(-c3noc([C@H]([N-]S(=O)(=O)c4ccc(C)cc4)C(C)C)n3)ccc21 ZINC000035453370 523573757 /nfs/dbraw/zinc/57/37/57/523573757.db2.gz VLRCSIQVEPQBGU-HXUWFJFHSA-N -1 3 439.541 4.090 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000012825586 525079628 /nfs/dbraw/zinc/07/96/28/525079628.db2.gz SJAPVJBFLZDFRA-UHFFFAOYSA-N -1 3 432.933 4.134 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c(C)c1 ZINC000012180554 525086025 /nfs/dbraw/zinc/08/60/25/525086025.db2.gz POGSQWQRQAXGCT-UHFFFAOYSA-N -1 3 436.533 4.397 50 0 IIAAHM Cc1noc(C)c1CN1CCN([C@@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000020745104 526503166 /nfs/dbraw/zinc/50/31/66/526503166.db2.gz LSZHYOSOIFAVLY-RUZDIDTESA-N -1 3 444.535 4.383 50 0 IIAAHM O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc2n[n-]nc2c1 ZINC000022416797 527329939 /nfs/dbraw/zinc/32/99/39/527329939.db2.gz VGINPDJTVZTVIB-UHFFFAOYSA-N -1 3 425.370 4.481 50 0 IIAAHM O=c1nc(CN2CCN(CC3CCCCC3)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000022785845 527438044 /nfs/dbraw/zinc/43/80/44/527438044.db2.gz DEJLFMDSZZORSG-UHFFFAOYSA-N -1 3 428.627 4.411 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1 ZINC000009529556 535401676 /nfs/dbraw/zinc/40/16/76/535401676.db2.gz DRFRWCTWGPBZRU-UHFFFAOYSA-N -1 3 438.553 4.333 50 0 IIAAHM C[C@H]1SC([N-]C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)=NC1=O ZINC000001064010 555617229 /nfs/dbraw/zinc/61/72/29/555617229.db2.gz FGQCHXLNEWPLGY-CQSZACIVSA-N -1 3 434.546 4.037 50 0 IIAAHM CCOc1cc(C2C(C(=O)OC)=CN(C3CCCCC3)C=C2C(=O)OC)cc(Cl)c1[O-] ZINC000001118104 555635481 /nfs/dbraw/zinc/63/54/81/555635481.db2.gz LTZSCAVXFFCAMU-UHFFFAOYSA-N -1 3 449.931 4.290 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)cc1 ZINC000002631116 555790203 /nfs/dbraw/zinc/79/02/03/555790203.db2.gz GJYVYNRHJFFNIK-UHFFFAOYSA-N -1 3 440.521 4.076 50 0 IIAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)c2ccc(Cl)cc2Cl)cc1)C(F)(F)F ZINC000002819919 555829839 /nfs/dbraw/zinc/82/98/39/555829839.db2.gz BRQVESFTIHKFLN-KRWDZBQOSA-N -1 3 436.213 4.193 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)cc1 ZINC000002859031 555843318 /nfs/dbraw/zinc/84/33/18/555843318.db2.gz FWYRZHGSTYFUBX-UHFFFAOYSA-N -1 3 440.521 4.130 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccccn1 ZINC000006142211 556077511 /nfs/dbraw/zinc/07/75/11/556077511.db2.gz CABXKYXOJAOEDY-VAMGGRTRSA-N -1 3 439.393 4.152 50 0 IIAAHM COc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)c1ccccc1 ZINC000009060544 556243804 /nfs/dbraw/zinc/24/38/04/556243804.db2.gz XERCNMCWSUUVEU-QFIPXVFZSA-N -1 3 449.532 4.058 50 0 IIAAHM Cc1nn(-c2nc3ccccc3o2)c(N)c1[C@@]([O-])(c1nc2ccccc2s1)C(F)(F)F ZINC000014187874 556386763 /nfs/dbraw/zinc/38/67/63/556386763.db2.gz DDUPNOBACLOWSC-LJQANCHMSA-N -1 3 445.426 4.312 50 0 IIAAHM CCOc1ncccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000013062740 556451041 /nfs/dbraw/zinc/45/10/41/556451041.db2.gz AUGRDVXUYITBLE-UHFFFAOYSA-N -1 3 439.537 4.459 50 0 IIAAHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000028781669 556460679 /nfs/dbraw/zinc/46/06/79/556460679.db2.gz KRFRQLOJOROSEB-UHFFFAOYSA-N -1 3 438.505 4.415 50 0 IIAAHM Cc1nc(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)sc1CC(N)=O ZINC000028937598 556464444 /nfs/dbraw/zinc/46/44/44/556464444.db2.gz WWRPISDYFFQNLK-LLVKDONJSA-N -1 3 442.591 4.298 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)cc1 ZINC000033274595 556558741 /nfs/dbraw/zinc/55/87/41/556558741.db2.gz HHZSDTXUWLLAJJ-UHFFFAOYSA-N -1 3 434.561 4.186 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000016684555 556625155 /nfs/dbraw/zinc/62/51/55/556625155.db2.gz SUSKCUGQZZVWFT-UHFFFAOYSA-N -1 3 432.839 4.015 50 0 IIAAHM O=C([N-]c1nnc(CCS(=O)(=O)c2ccccc2)o1)c1sc2ccccc2c1Cl ZINC000010691925 557018815 /nfs/dbraw/zinc/01/88/15/557018815.db2.gz WGJCDGZDFLVOJH-UHFFFAOYSA-N -1 3 447.925 4.206 50 0 IIAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c(C)c1 ZINC000046075504 557032142 /nfs/dbraw/zinc/03/21/42/557032142.db2.gz BPUNVLXLJVPMCS-KRWDZBQOSA-N -1 3 448.548 4.052 50 0 IIAAHM O=C([N-]c1ccc(F)cc1F)c1nnc(C2CCN(C(=O)c3cccc(F)c3)CC2)s1 ZINC000033273008 557051058 /nfs/dbraw/zinc/05/10/58/557051058.db2.gz IWFYXFCCFALGEH-UHFFFAOYSA-N -1 3 446.454 4.228 50 0 IIAAHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000017305933 557052305 /nfs/dbraw/zinc/05/23/05/557052305.db2.gz LBXCMNHCYKDKLA-INIZCTEOSA-N -1 3 442.548 4.425 50 0 IIAAHM O=C([N-]c1ccc(F)cc1F)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1 ZINC000033272980 557052996 /nfs/dbraw/zinc/05/29/96/557052996.db2.gz UEGDMPBNSUNAOP-UHFFFAOYSA-N -1 3 446.454 4.228 50 0 IIAAHM C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000023184903 557071697 /nfs/dbraw/zinc/07/16/97/557071697.db2.gz NDNKTXSWTSSCFG-KRWDZBQOSA-N -1 3 437.517 4.082 50 0 IIAAHM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000033299067 557075313 /nfs/dbraw/zinc/07/53/13/557075313.db2.gz RHFOYXGMEUNFNK-UHFFFAOYSA-N -1 3 444.987 4.075 50 0 IIAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)NCc1cccc(Cl)c1 ZINC000049003264 557091116 /nfs/dbraw/zinc/09/11/16/557091116.db2.gz WSZPLZSMMICDFG-UHFFFAOYSA-N -1 3 434.298 4.061 50 0 IIAAHM CN(Cc1ccccc1)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000725241115 557133670 /nfs/dbraw/zinc/13/36/70/557133670.db2.gz XXTJGHQEWVWSBD-XMMPIXPASA-N -1 3 430.504 4.110 50 0 IIAAHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000000806071 557227871 /nfs/dbraw/zinc/22/78/71/557227871.db2.gz ROVXSLRWBZNJEH-UHFFFAOYSA-N -1 3 429.325 4.126 50 0 IIAAHM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018158169 557244490 /nfs/dbraw/zinc/24/44/90/557244490.db2.gz HKVSAYZUUFBPRN-BDTNDASRSA-N -1 3 434.879 4.400 50 0 IIAAHM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)OC)C(C)C ZINC000027079783 557256598 /nfs/dbraw/zinc/25/65/98/557256598.db2.gz UJTNRXYTECQKFO-QHCPKHFHSA-N -1 3 449.555 4.250 50 0 IIAAHM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H](C(=O)OC)C(C)C ZINC000027079783 557256603 /nfs/dbraw/zinc/25/66/03/557256603.db2.gz UJTNRXYTECQKFO-QHCPKHFHSA-N -1 3 449.555 4.250 50 0 IIAAHM C[C@@H](Sc1ncnc2c1cnn2C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000011682011 557366117 /nfs/dbraw/zinc/36/61/17/557366117.db2.gz WJVXPGXXRUBDOT-SECBINFHSA-N -1 3 426.552 4.243 50 0 IIAAHM COC(=O)c1ccc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccc(OC)cc4)CC(=O)C32)cc1 ZINC000102736564 557368908 /nfs/dbraw/zinc/36/89/08/557368908.db2.gz SCDRCHGTGDHOQO-KKSFZXQISA-N -1 3 446.463 4.494 50 0 IIAAHM CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102722032 557368958 /nfs/dbraw/zinc/36/89/58/557368958.db2.gz HZCHVXGZXPEOCQ-GUDVDZBRSA-N -1 3 429.314 4.318 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000229979910 557834821 /nfs/dbraw/zinc/83/48/21/557834821.db2.gz MSOIFKSYWYSVLK-RBZQAINGSA-N -1 3 444.487 4.145 50 0 IIAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)c2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000002306035 562926852 /nfs/dbraw/zinc/92/68/52/562926852.db2.gz KLORHFAWQZYNNC-KRWDZBQOSA-N -1 3 436.213 4.193 50 0 IIAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c(C(=O)OCC)c1C ZINC000008592901 562952475 /nfs/dbraw/zinc/95/24/75/562952475.db2.gz VAZRIHUZBBTQMA-UHFFFAOYSA-N -1 3 446.456 4.456 50 0 IIAAHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(C)c1 ZINC000239386726 568911446 /nfs/dbraw/zinc/91/14/46/568911446.db2.gz QDYNHOKMRBDKAV-YFNKSVMNSA-N -1 3 428.488 4.369 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)c(Br)cc1Br ZINC000054362967 568940695 /nfs/dbraw/zinc/94/06/95/568940695.db2.gz HOYPAHGNUGQUHX-ZANVPECISA-N -1 3 425.186 4.377 50 0 IIAAHM Cc1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)c1 ZINC000064930329 568988701 /nfs/dbraw/zinc/98/87/01/568988701.db2.gz UMRIGPUGQIPCQO-KRWDZBQOSA-N -1 3 428.464 4.354 50 0 IIAAHM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000065116272 569107288 /nfs/dbraw/zinc/10/72/88/569107288.db2.gz QCXIJTGFWQSKDN-UHFFFAOYSA-N -1 3 435.452 4.250 50 0 IIAAHM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)cc2C1=O ZINC000065241579 569118891 /nfs/dbraw/zinc/11/88/91/569118891.db2.gz DIDWCPBONWYFEL-UHFFFAOYSA-N -1 3 427.457 4.102 50 0 IIAAHM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000170626251 569148604 /nfs/dbraw/zinc/14/86/04/569148604.db2.gz HAHBQPFLLAUZGY-IBGZPJMESA-N -1 3 428.330 4.387 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000016954571 569167448 /nfs/dbraw/zinc/16/74/48/569167448.db2.gz NRNJTZZQEBBQAP-UHFFFAOYSA-N -1 3 428.535 4.151 50 0 IIAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000002300533 569271448 /nfs/dbraw/zinc/27/14/48/569271448.db2.gz PVIAYCWZBIBVPJ-SFHVURJKSA-N -1 3 448.800 4.460 50 0 IIAAHM CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000018150852 569284989 /nfs/dbraw/zinc/28/49/89/569284989.db2.gz AEISKKZUOJOWFH-UHFFFAOYSA-N -1 3 430.476 4.428 50 0 IIAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3)nn2)n1 ZINC000013010024 569306705 /nfs/dbraw/zinc/30/67/05/569306705.db2.gz HDALAORGHQSIGG-UHFFFAOYSA-N -1 3 434.525 4.132 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccccc3C)c(Cl)c2)S1 ZINC000020895891 569375009 /nfs/dbraw/zinc/37/50/09/569375009.db2.gz JCGDTVCFIBYXCA-FQEVSTJZSA-N -1 3 447.944 4.107 50 0 IIAAHM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)CCOc3ccccc3)ccc21 ZINC000096025629 569380808 /nfs/dbraw/zinc/38/08/08/569380808.db2.gz JMJNOEPHTAJGSF-UHFFFAOYSA-N -1 3 436.533 4.100 50 0 IIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc3ccccc3n(C)c2=O)S1 ZINC000096117282 569384082 /nfs/dbraw/zinc/38/40/82/569384082.db2.gz PRUWJVJQVNMZJR-KXBFYZLASA-N -1 3 438.553 4.045 50 0 IIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(OC(F)F)c2)CCO1 ZINC000096117870 569384213 /nfs/dbraw/zinc/38/42/13/569384213.db2.gz BTSMELNPFURBIT-LRDDRELGSA-N -1 3 439.484 4.095 50 0 IIAAHM O=C(c1ccc(C[N-]S(=O)(=O)c2ccc(Br)s2)s1)c1ccccc1 ZINC000096119889 569384827 /nfs/dbraw/zinc/38/48/27/569384827.db2.gz QCQDHBJWRUNNAZ-UHFFFAOYSA-N -1 3 442.381 4.282 50 0 IIAAHM COC(=O)c1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)cc1 ZINC000096222560 569387154 /nfs/dbraw/zinc/38/71/54/569387154.db2.gz DAHOWRPOKVPCDF-IBGZPJMESA-N -1 3 442.423 4.393 50 0 biogenic IIAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@H]3CCCC[C@H]3C)c2)cc1 ZINC000003022581 569436031 /nfs/dbraw/zinc/43/60/31/569436031.db2.gz ZMPAWYKVTYKFMS-QRWLVFNGSA-N -1 3 434.533 4.334 50 0 IIAAHM Cc1nc2ccccc2nc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000032095274 569459823 /nfs/dbraw/zinc/45/98/23/569459823.db2.gz YIFNCOJHUWRJKX-OAQYLSRUSA-N -1 3 435.915 4.021 50 0 IIAAHM CCOC([O-])=NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000008778586 569475529 /nfs/dbraw/zinc/47/55/29/569475529.db2.gz RFFYZEOTTIIAGJ-UHFFFAOYSA-N -1 3 437.443 4.468 50 0 IIAAHM CCOC(=O)[N-]C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000008778586 569475530 /nfs/dbraw/zinc/47/55/30/569475530.db2.gz RFFYZEOTTIIAGJ-UHFFFAOYSA-N -1 3 437.443 4.468 50 0 IIAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC ZINC000040157537 569494327 /nfs/dbraw/zinc/49/43/27/569494327.db2.gz CQKBGBWOQJEURA-UHFFFAOYSA-N -1 3 433.313 4.025 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000009013072 569496648 /nfs/dbraw/zinc/49/66/48/569496648.db2.gz MYCSDMQSSHIWLC-QWFCFKBJSA-N -1 3 440.286 4.440 50 0 IIAAHM Cc1nnc([N-]C(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)s1 ZINC000009101969 569501795 /nfs/dbraw/zinc/50/17/95/569501795.db2.gz KFPWDYUQBJYCAY-UHFFFAOYSA-N -1 3 441.463 4.201 50 0 IIAAHM C[C@@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccc2ccccc2c1 ZINC000009112883 569502457 /nfs/dbraw/zinc/50/24/57/569502457.db2.gz RXPVJIRIZSCURE-MRXNPFEDSA-N -1 3 443.594 4.115 50 0 IIAAHM CCc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)cc1 ZINC000009124677 569504355 /nfs/dbraw/zinc/50/43/55/569504355.db2.gz YNMDLKBKCXDTNA-QFIPXVFZSA-N -1 3 425.916 4.234 50 0 IIAAHM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(CN2CCCCC2)cc1 ZINC000009228206 569513579 /nfs/dbraw/zinc/51/35/79/569513579.db2.gz FOKDBKJLBZULCT-UHFFFAOYSA-N -1 3 441.553 4.445 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)Nc3cccc(C)c3)c2)cc1 ZINC000009282898 569518709 /nfs/dbraw/zinc/51/87/09/569518709.db2.gz ZZQNTULXLWAIIA-UHFFFAOYSA-N -1 3 441.509 4.457 50 0 IIAAHM CCc1ccc2c(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)cc(=O)oc2c1 ZINC000009377620 569527509 /nfs/dbraw/zinc/52/75/09/569527509.db2.gz GGUJDMVTGMCVMB-UHFFFAOYSA-N -1 3 430.489 4.070 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2ccco2)[C@@H](c2ccccc2Cl)C1 ZINC000009378572 569527676 /nfs/dbraw/zinc/52/76/76/569527676.db2.gz XHFDEEBAQIQSSM-LJQANCHMSA-N -1 3 443.912 4.296 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)c(C)c1 ZINC000009715037 569562969 /nfs/dbraw/zinc/56/29/69/569562969.db2.gz NWPRUBATMBKBCC-UHFFFAOYSA-N -1 3 433.533 4.420 50 0 IIAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 ZINC000010077871 569577730 /nfs/dbraw/zinc/57/77/30/569577730.db2.gz XOVAPPKTIPGGIZ-UHFFFAOYSA-N -1 3 430.913 4.467 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1C ZINC000010186574 569578401 /nfs/dbraw/zinc/57/84/01/569578401.db2.gz JZJIBEQUXVQELJ-UHFFFAOYSA-N -1 3 437.496 4.251 50 0 IIAAHM CCCn1c(C)cc(-c2csc(NC(=O)CCc3c(C)[nH]c(=S)[n-]c3=O)n2)c1C ZINC000010189564 569578917 /nfs/dbraw/zinc/57/89/17/569578917.db2.gz BIDBWORPZKXNEF-UHFFFAOYSA-N -1 3 431.587 4.264 50 0 IIAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)oc12 ZINC000013574405 132350782 /nfs/dbraw/zinc/35/07/82/132350782.db2.gz ONLWZDCULUQAEC-UHFFFAOYSA-N -1 3 440.927 4.050 50 0 IIAAHM Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc43)CC2)c(C)c1 ZINC000020736698 524966854 /nfs/dbraw/zinc/96/68/54/524966854.db2.gz MUEQFWDBCVDZIQ-OAQYLSRUSA-N -1 3 442.357 4.495 50 0 IIAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000020738096 525495234 /nfs/dbraw/zinc/49/52/34/525495234.db2.gz OLKQNZMRERSITE-HXUWFJFHSA-N -1 3 434.323 4.431 50 0 IIAAHM Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)[N-]c3ccccc3)c(C)cc2C)cc1 ZINC000016248050 525498534 /nfs/dbraw/zinc/49/85/34/525498534.db2.gz FPAXKDVVYKJQHB-UHFFFAOYSA-N -1 3 444.578 4.238 50 0 IIAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(F)c(F)c1F ZINC000012784715 526003145 /nfs/dbraw/zinc/00/31/45/526003145.db2.gz JWASAAKKIHUFQR-JTQLQIEISA-N -1 3 445.426 4.058 50 0 IIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000012593419 527053562 /nfs/dbraw/zinc/05/35/62/527053562.db2.gz SHMIETKXEIGTIF-UHFFFAOYSA-N -1 3 449.561 4.194 50 0 IIAAHM O=S(=O)([N-]CCSCc1ccco1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020978047 527218470 /nfs/dbraw/zinc/21/84/70/527218470.db2.gz GOVDKQBBMZHJLB-UHFFFAOYSA-N -1 3 438.474 4.227 50 0 IIAAHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000012630076 527464242 /nfs/dbraw/zinc/46/42/42/527464242.db2.gz FPQUYCUQDPGYCB-MRXNPFEDSA-N -1 3 429.851 4.160 50 0 IIAAHM O=C([N-]c1nccs1)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)o1 ZINC000035597590 527527703 /nfs/dbraw/zinc/52/77/03/527527703.db2.gz QEVFTEANFUMDNL-UHFFFAOYSA-N -1 3 449.535 4.034 50 0 IIAAHM Cc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000001446569 555699258 /nfs/dbraw/zinc/69/92/58/555699258.db2.gz AQSFQFLWMWLVMT-OAHLLOKOSA-N -1 3 432.760 4.113 50 0 IIAAHM O=C(/C=C/c1ccccc1)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002905356 555861282 /nfs/dbraw/zinc/86/12/82/555861282.db2.gz HBUKBRDASJYJQI-OFAQMXQXSA-N -1 3 444.771 4.205 50 0 IIAAHM COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000003067623 555884496 /nfs/dbraw/zinc/88/44/96/555884496.db2.gz BKZQQEMPBKCAHZ-QGZVFWFLSA-N -1 3 434.773 4.070 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)cc1 ZINC000006296230 556084125 /nfs/dbraw/zinc/08/41/25/556084125.db2.gz YAGDQQYYBBNHHU-KRWDZBQOSA-N -1 3 440.521 4.210 50 0 IIAAHM CCSc1nnc([N-]C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)s1 ZINC000002780964 556141902 /nfs/dbraw/zinc/14/19/02/556141902.db2.gz CACCHXWXOSIDJS-UHFFFAOYSA-N -1 3 442.364 4.120 50 0 IIAAHM COc1ccccc1OCc1ccc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)o1 ZINC000002796354 556145522 /nfs/dbraw/zinc/14/55/22/556145522.db2.gz VYZVHPVBEZXVJT-UHFFFAOYSA-N -1 3 438.871 4.413 50 0 IIAAHM O=c1c2cc([N-]S(=O)(=O)Cc3ccccc3Cl)ccc2ncn1Cc1ccccc1 ZINC000009409572 556287743 /nfs/dbraw/zinc/28/77/43/556287743.db2.gz ZSDWMGVNNNTLRW-UHFFFAOYSA-N -1 3 439.924 4.040 50 0 IIAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCC(c3ccccc3)c3ccccc3)cc2O1 ZINC000009409526 556287856 /nfs/dbraw/zinc/28/78/56/556287856.db2.gz VHWCNNSMVFMDNL-UHFFFAOYSA-N -1 3 445.515 4.463 50 0 IIAAHM Cc1cc(NC(=O)CCS[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)no1 ZINC000032778799 556351837 /nfs/dbraw/zinc/35/18/37/556351837.db2.gz MMUXMPJVEPLCCS-NSHDSACASA-N -1 3 430.511 4.364 50 0 IIAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000014636538 556430632 /nfs/dbraw/zinc/43/06/32/556430632.db2.gz VFSSMVUXLGFHFX-UHFFFAOYSA-N -1 3 447.516 4.268 50 0 IIAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Br)c1 ZINC000028196584 556445265 /nfs/dbraw/zinc/44/52/65/556445265.db2.gz JIOAZYJVVSOJMO-UHFFFAOYSA-N -1 3 436.686 4.219 50 0 IIAAHM O=C(NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c1 ZINC000013063442 556452004 /nfs/dbraw/zinc/45/20/04/556452004.db2.gz VWSTYODSOWJSMF-FQEVSTJZSA-N -1 3 432.973 4.368 50 0 IIAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000030603405 556499290 /nfs/dbraw/zinc/49/92/90/556499290.db2.gz ORUJXVDOAJIYDZ-HXUWFJFHSA-N -1 3 438.524 4.474 50 0 IIAAHM CCCCCOc1c(Cl)cc(C(=O)[N-]c2nnc(S(C)(=O)=O)s2)cc1Cl ZINC000013549232 556514716 /nfs/dbraw/zinc/51/47/16/556514716.db2.gz GJNNQHBBVZBBLD-UHFFFAOYSA-N -1 3 438.358 4.070 50 0 IIAAHM COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000015701803 556544283 /nfs/dbraw/zinc/54/42/83/556544283.db2.gz OEYZXHKTIWOORH-UHFFFAOYSA-N -1 3 428.485 4.206 50 0 IIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000013658344 556546378 /nfs/dbraw/zinc/54/63/78/556546378.db2.gz JOPMZDNLMORPSK-QHAWAJNXSA-N -1 3 438.842 4.236 50 0 IIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1 ZINC000033274530 556558487 /nfs/dbraw/zinc/55/84/87/556558487.db2.gz BCVGDOCDGLIFSH-UHFFFAOYSA-N -1 3 434.561 4.398 50 0 IIAAHM C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([O-])c(I)c2)N3)C1 ZINC000017086073 556657145 /nfs/dbraw/zinc/65/71/45/556657145.db2.gz POGOJDTWZSTBKT-AYVTZFPOSA-N -1 3 440.306 4.037 50 0 IIAAHM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000033078180 556852965 /nfs/dbraw/zinc/85/29/65/556852965.db2.gz ZRAPGPWUAFRKDT-UHFFFAOYSA-N -1 3 441.532 4.459 50 0 IIAAHM O=C([N-]c1ccccc1F)c1nnc(COc2ccc(C(=O)NC3CCCC3)cc2)s1 ZINC000033114305 556861237 /nfs/dbraw/zinc/86/12/37/556861237.db2.gz MLLOGLQZKIKFDM-UHFFFAOYSA-N -1 3 440.500 4.181 50 0 IIAAHM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CCC1 ZINC000033128568 556865725 /nfs/dbraw/zinc/86/57/25/556865725.db2.gz OMMFXFDDIUBAGE-UHFFFAOYSA-N -1 3 426.582 4.314 50 0 IIAAHM O=S(=O)([N-]CCSCc1ccc(Br)s1)c1ccc(F)c(F)c1 ZINC000020002647 556957737 /nfs/dbraw/zinc/95/77/37/556957737.db2.gz ZTUVVQHLWRZIFK-UHFFFAOYSA-N -1 3 428.345 4.001 50 0 IIAAHM O=S(=O)([N-][C@@H]1CCc2ccccc21)c1cc(Br)ccc1Br ZINC000010752482 557025003 /nfs/dbraw/zinc/02/50/03/557025003.db2.gz ZZNLENBRGIDQEF-CQSZACIVSA-N -1 3 431.149 4.177 50 0 IIAAHM C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000023184901 557071674 /nfs/dbraw/zinc/07/16/74/557071674.db2.gz NDNKTXSWTSSCFG-QGZVFWFLSA-N -1 3 437.517 4.082 50 0 IIAAHM CC(C)OCCCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000017408355 557086288 /nfs/dbraw/zinc/08/62/88/557086288.db2.gz XXXBWJIZIFZHQP-HNNXBMFYSA-N -1 3 445.610 4.205 50 0 IIAAHM Cc1sc2nc(C)nc(S[C@@H](C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)c2c1C ZINC000024074008 557135435 /nfs/dbraw/zinc/13/54/35/557135435.db2.gz RWTGFFRKOOYQEF-LBPRGKRZSA-N -1 3 435.596 4.352 50 0 IIAAHM [O-]c1ccccc1-c1nnc(SCC2(c3ccc(Br)cc3)OCCO2)o1 ZINC000000688060 557135651 /nfs/dbraw/zinc/13/56/51/557135651.db2.gz UXFQSUCKMPOLNZ-UHFFFAOYSA-N -1 3 435.299 4.197 50 0 IIAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4cccc(Cl)c4)c(=O)c2-3)cc1 ZINC000100836895 557191144 /nfs/dbraw/zinc/19/11/44/557191144.db2.gz IPKXEGBMKUGFHF-IRLDBZIGSA-N -1 3 431.879 4.131 50 0 IIAAHM COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000027063427 557256285 /nfs/dbraw/zinc/25/62/85/557256285.db2.gz UUKQVGPKZWZHQN-UHFFFAOYSA-N -1 3 440.496 4.228 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100602924 557265596 /nfs/dbraw/zinc/26/55/96/557265596.db2.gz CLDHLEJEAVKJKI-ZLNRFVROSA-N -1 3 432.451 4.276 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100722362 557271343 /nfs/dbraw/zinc/27/13/43/557271343.db2.gz CLDHLEJEAVKJKI-RJGXRXQPSA-N -1 3 432.451 4.276 50 0 IIAAHM Cn1nc(-c2ccccc2)c2c(c([O-])c(-c3ccccc3)c(=O)n2Cc2ccccc2)c1=O ZINC000101385886 557281964 /nfs/dbraw/zinc/28/19/64/557281964.db2.gz PNWZSDWMTJDCEX-UHFFFAOYSA-N -1 3 435.483 4.183 50 0 IIAAHM CCN(CC)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2 ZINC000102290487 557315846 /nfs/dbraw/zinc/31/58/46/557315846.db2.gz UVGWGALWZXUPME-OBGWFSINSA-N -1 3 430.504 4.452 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c(C)c1 ZINC000102288923 557317797 /nfs/dbraw/zinc/31/77/97/557317797.db2.gz AOFKQUNWWSNRQL-BGYRXZFFSA-N -1 3 440.565 4.088 50 0 IIAAHM COc1ccc(N2OC3=C([O-])N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102701189 557365352 /nfs/dbraw/zinc/36/53/52/557365352.db2.gz BFWHVTSVWUKBED-FSSWDIPSSA-N -1 3 434.879 4.400 50 0 IIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1Cl ZINC000102707148 557366827 /nfs/dbraw/zinc/36/68/27/557366827.db2.gz KIOTYXJJIYNXKL-FDFHNCONSA-N -1 3 434.879 4.405 50 0 IIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c1 ZINC000102720052 557375656 /nfs/dbraw/zinc/37/56/56/557375656.db2.gz WOETXSICZKRVLL-FDFHNCONSA-N -1 3 434.879 4.400 50 0 IIAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)c(OC)c1OC ZINC000102751323 557382902 /nfs/dbraw/zinc/38/29/02/557382902.db2.gz WNOCUXJTJRCUEH-ADLMAVQZSA-N -1 3 438.440 4.317 50 0 IIAAHM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4[N-][C@@H]3c3ccc4c(c3)OCCO4)C2)cc1 ZINC000102754624 557383827 /nfs/dbraw/zinc/38/38/27/557383827.db2.gz NBFDBYBJEOJKKL-IVZQSRNASA-N -1 3 446.463 4.478 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000102760435 557385168 /nfs/dbraw/zinc/38/51/68/557385168.db2.gz GLVBQKOMRGPEFT-RJGXRXQPSA-N -1 3 432.451 4.276 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102864823 557404023 /nfs/dbraw/zinc/40/40/23/557404023.db2.gz OYAYTABGNJMOJJ-XUVXKRRUSA-N -1 3 439.393 4.152 50 0 IIAAHM CCc1cc2c(CNc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc(=O)oc2cc1[O-] ZINC000108417619 557542748 /nfs/dbraw/zinc/54/27/48/557542748.db2.gz WQVRIXQCCHGDAY-HUUCEWRRSA-N -1 3 426.488 4.426 50 0 IIAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCc3ccc(Br)cc3)n2)cc1 ZINC000008603072 562955954 /nfs/dbraw/zinc/95/59/54/562955954.db2.gz XIZSCFJFXQFGGB-UHFFFAOYSA-N -1 3 427.327 4.448 50 0 IIAAHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297844 568626235 /nfs/dbraw/zinc/62/62/35/568626235.db2.gz CKAIOLMSJKMRMH-AWEZNQCLSA-N -1 3 427.661 4.322 50 0 IIAAHM CN([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000001388697 568784721 /nfs/dbraw/zinc/78/47/21/568784721.db2.gz MPAXJMHORDNUHV-UHFFFAOYSA-N -1 3 434.654 4.390 50 0 IIAAHM O=S(=O)([N-]CCCn1nc(C(F)(F)F)cc1C1CC1)c1cc(Cl)ccc1Cl ZINC000002775096 568789082 /nfs/dbraw/zinc/78/90/82/568789082.db2.gz WMWJJQWRLQPGCR-UHFFFAOYSA-N -1 3 442.290 4.455 50 0 IIAAHM COc1cc(S(=O)(=O)[N-]CCc2c(C)[nH]c3c2cccc3Cl)c(OC)cc1Cl ZINC000001424313 568793579 /nfs/dbraw/zinc/79/35/79/568793579.db2.gz QXTWSMVXTWQRQD-UHFFFAOYSA-N -1 3 443.352 4.321 50 0 IIAAHM C[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015563894 568798440 /nfs/dbraw/zinc/79/84/40/568798440.db2.gz QWPVNGODFVKRNS-QGZVFWFLSA-N -1 3 426.513 4.378 50 0 IIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000097743286 568828099 /nfs/dbraw/zinc/82/80/99/568828099.db2.gz KHWAVBYANPTJJF-VSKRKVRLSA-N -1 3 434.879 4.400 50 0 IIAAHM COc1ccc(N2OC3=C([O-])N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239275137 568910964 /nfs/dbraw/zinc/91/09/64/568910964.db2.gz BFWHVTSVWUKBED-FKBYEOEOSA-N -1 3 434.879 4.400 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@]32C)cc1 ZINC000245226273 568912870 /nfs/dbraw/zinc/91/28/70/568912870.db2.gz NMDGAVCPYORKSW-WRALFONMSA-N -1 3 432.451 4.276 50 0 IIAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc(N2CCCCC2)n1 ZINC000064801880 568961460 /nfs/dbraw/zinc/96/14/60/568961460.db2.gz DPBOMPCXVLPMSQ-UHFFFAOYSA-N -1 3 441.532 4.459 50 0 IIAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(NC(=O)c4ccco4)cc3)n2)cc1 ZINC000065010379 569088080 /nfs/dbraw/zinc/08/80/80/569088080.db2.gz NJDCSBONSLWUEN-UHFFFAOYSA-N -1 3 438.465 4.011 50 0 IIAAHM Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)[N-]C(=O)c3cccs3)o2)cc1 ZINC000036874437 569138583 /nfs/dbraw/zinc/13/85/83/569138583.db2.gz IBGISXHCKGJBMQ-UHFFFAOYSA-N -1 3 446.484 4.492 50 0 IIAAHM Cc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccsc2)c1 ZINC000170612571 569146046 /nfs/dbraw/zinc/14/60/46/569146046.db2.gz VHLRBWUGTGSVEV-OAQYLSRUSA-N -1 3 439.562 4.420 50 0 IIAAHM O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(c1ccc([O-])cc1)S(=O)(=O)c1ccccc1 ZINC000170629419 569148858 /nfs/dbraw/zinc/14/88/58/569148858.db2.gz BXQKQMOXZPUSJU-QZTJIDSGSA-N -1 3 429.444 4.196 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1C ZINC000017011377 569170376 /nfs/dbraw/zinc/17/03/76/569170376.db2.gz RAYQVNHHKWYEKB-UHFFFAOYSA-N -1 3 438.553 4.252 50 0 IIAAHM Cc1cccc(NC2CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)CC2)c1 ZINC000170638090 569178538 /nfs/dbraw/zinc/17/85/38/569178538.db2.gz IUWJHIJLLQFKSS-UHFFFAOYSA-N -1 3 440.341 4.316 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Br)ccc2OCc2ccccc2)S1 ZINC000020896122 569375148 /nfs/dbraw/zinc/37/51/48/569375148.db2.gz CLTFMDPMZONDQK-SFHVURJKSA-N -1 3 448.342 4.029 50 0 IIAAHM O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000096221489 569386933 /nfs/dbraw/zinc/38/69/33/569386933.db2.gz JDSGJOVPCIBIMM-KRWDZBQOSA-N -1 3 428.396 4.335 50 0 biogenic IIAAHM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000096322207 569394458 /nfs/dbraw/zinc/39/44/58/569394458.db2.gz UMTYIMJIJHRACM-UHFFFAOYSA-N -1 3 438.322 4.500 50 0 IIAAHM O=c1[n-]c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2c3ccccc3oc21 ZINC000029846652 569435373 /nfs/dbraw/zinc/43/53/73/569435373.db2.gz NSVZLKZTIZDSNP-UHFFFAOYSA-N -1 3 442.441 4.006 50 0 IIAAHM CN(CC(=O)Nc1ccccc1Cl)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000003570861 569454262 /nfs/dbraw/zinc/45/42/62/569454262.db2.gz JWPPGOXEGNIDQU-UHFFFAOYSA-N -1 3 438.940 4.376 50 0 IIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000008705602 569470388 /nfs/dbraw/zinc/47/03/88/569470388.db2.gz ANKHVBGRJHIFFK-CYBMUJFWSA-N -1 3 425.495 4.189 50 0 IIAAHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2n[n-]c(-c3cccs3)n2)c1 ZINC000008709250 569470730 /nfs/dbraw/zinc/47/07/30/569470730.db2.gz XSFVXURUCKKCTA-HNNXBMFYSA-N -1 3 430.555 4.006 50 0 IIAAHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cc2ccccc2o1 ZINC000040115458 569489264 /nfs/dbraw/zinc/48/92/64/569489264.db2.gz XAYMRSGJXMNLNR-ZDUSSCGKSA-N -1 3 427.457 4.192 50 0 IIAAHM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)Cc3ccccc3F)ccc1O2 ZINC000008961522 569491040 /nfs/dbraw/zinc/49/10/40/569491040.db2.gz IJCJBVDTERIZFS-UHFFFAOYSA-N -1 3 426.469 4.458 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c(C)c1 ZINC000008977315 569493015 /nfs/dbraw/zinc/49/30/15/569493015.db2.gz YFFIKCFZDMFVKZ-UHFFFAOYSA-N -1 3 442.562 4.064 50 0 IIAAHM O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000008986047 569494818 /nfs/dbraw/zinc/49/48/18/569494818.db2.gz MYXDERAMYKUQKN-UHFFFAOYSA-N -1 3 441.896 4.212 50 0 IIAAHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450333 569506279 /nfs/dbraw/zinc/50/62/79/569506279.db2.gz ZYEKUXZJDLAOKA-CQSZACIVSA-N -1 3 445.423 4.243 50 0 IIAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)cc1Cl ZINC000009124575 569504379 /nfs/dbraw/zinc/50/43/79/569504379.db2.gz IHAHIXZZETVSLJ-JOCHJYFZSA-N -1 3 425.916 4.405 50 0 IIAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1C ZINC000009170853 569509417 /nfs/dbraw/zinc/50/94/17/569509417.db2.gz BUMNHQWFJMBEKZ-UHFFFAOYSA-N -1 3 446.569 4.356 50 0 IIAAHM Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009490645 569540299 /nfs/dbraw/zinc/54/02/99/569540299.db2.gz AHJUFSTUPNKXNQ-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 IIAAHM Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009490645 569540300 /nfs/dbraw/zinc/54/03/00/569540300.db2.gz AHJUFSTUPNKXNQ-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 IIAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cl ZINC000009495109 569540976 /nfs/dbraw/zinc/54/09/76/569540976.db2.gz MZTPWHFVJBWEPB-UHFFFAOYSA-N -1 3 430.913 4.079 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)OCc1ccccc1 ZINC000009521399 569544415 /nfs/dbraw/zinc/54/44/15/569544415.db2.gz SEOOBSBSCNRSCN-UHFFFAOYSA-N -1 3 426.885 4.010 50 0 IIAAHM COc1ccccc1NC(=O)[C@H](C)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009635327 569554645 /nfs/dbraw/zinc/55/46/45/569554645.db2.gz FXEAWOBQWCOFQE-HNNXBMFYSA-N -1 3 443.500 4.074 50 0 IIAAHM CC(C)(C)c1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000009641304 569555644 /nfs/dbraw/zinc/55/56/44/569555644.db2.gz ATJQPSNULVHSBH-UHFFFAOYSA-N -1 3 433.537 4.113 50 0 IIAAHM C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009672319 569558789 /nfs/dbraw/zinc/55/87/89/569558789.db2.gz KXCCFGVTINNHPG-LBPRGKRZSA-N -1 3 448.595 4.077 50 0 IIAAHM Cn1c2ccc(Cl)cc2c(Cl)c(-c2nc3cc(N4CCOCC4)ccc3[n-]2)c1=O ZINC000008715803 132291581 /nfs/dbraw/zinc/29/15/81/132291581.db2.gz HMDFGYZGWIKVGA-UHFFFAOYSA-N -1 3 429.307 4.225 50 0 IIAAHM Cn1c2ccc(Cl)cc2c(Cl)c(-c2nc3ccc(N4CCOCC4)cc3[n-]2)c1=O ZINC000008715803 132291584 /nfs/dbraw/zinc/29/15/84/132291584.db2.gz HMDFGYZGWIKVGA-UHFFFAOYSA-N -1 3 429.307 4.225 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCc3ccccc3)c(Br)c2)S1 ZINC000020895924 519643333 /nfs/dbraw/zinc/64/33/33/519643333.db2.gz NRGBYAAXPHANLN-SFHVURJKSA-N -1 3 448.342 4.029 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCOc2ccccc2C)S1 ZINC000015832962 519643569 /nfs/dbraw/zinc/64/35/69/519643569.db2.gz QTSKJLZPDVDDIV-HXUWFJFHSA-N -1 3 447.944 4.107 50 0 IIAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000021756141 520526438 /nfs/dbraw/zinc/52/64/38/520526438.db2.gz LFVCRPFLMQHAJS-UHFFFAOYSA-N -1 3 444.578 4.133 50 0 IIAAHM CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853652 522534316 /nfs/dbraw/zinc/53/43/16/522534316.db2.gz CNNDUDMIDIXODK-LJQANCHMSA-N -1 3 442.585 4.157 50 0 IIAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000020895627 522968372 /nfs/dbraw/zinc/96/83/72/522968372.db2.gz QFZUZANXPULNCG-HXUWFJFHSA-N -1 3 447.944 4.237 50 0 IIAAHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000012738137 523507633 /nfs/dbraw/zinc/50/76/33/523507633.db2.gz HUIJHLAGELUAHB-CYBMUJFWSA-N -1 3 432.336 4.112 50 0 IIAAHM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115369 523963775 /nfs/dbraw/zinc/96/37/75/523963775.db2.gz MQVXERSRULNKIL-KRWDZBQOSA-N -1 3 426.582 4.313 50 0 IIAAHM Cc1cc(C)c(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c(C)c1 ZINC000021810296 524290007 /nfs/dbraw/zinc/29/00/07/524290007.db2.gz SBOJNMLNSQQNPZ-UHFFFAOYSA-N -1 3 448.592 4.397 50 0 IIAAHM C[C@@H](NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)c1ccccn1 ZINC000012542915 525326178 /nfs/dbraw/zinc/32/61/78/525326178.db2.gz OATMMALERQDKRV-CYBMUJFWSA-N -1 3 433.892 4.166 50 0 IIAAHM Cc1ccc(Oc2ccc(OCC(=O)N(C)Cc3nc4ccsc4c(=O)[n-]3)cc2)cc1 ZINC000012864924 525476686 /nfs/dbraw/zinc/47/66/86/525476686.db2.gz CSNWWZAQFBOZRT-UHFFFAOYSA-N -1 3 435.505 4.123 50 0 IIAAHM Cc1c(C(=O)NC[C@H]2CCCO2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000012871398 525624195 /nfs/dbraw/zinc/62/41/95/525624195.db2.gz KPIRQSZQSPFVJZ-OAHLLOKOSA-N -1 3 443.594 4.111 50 0 IIAAHM C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012557092 526015139 /nfs/dbraw/zinc/01/51/39/526015139.db2.gz YDIDUGQUXMGJHF-LBPRGKRZSA-N -1 3 434.568 4.017 50 0 IIAAHM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000012324448 526315465 /nfs/dbraw/zinc/31/54/65/526315465.db2.gz RGDXRVVMUCXYIF-IBGZPJMESA-N -1 3 432.293 4.017 50 0 IIAAHM Cn1c(COc2ccccc2)nnc1Sc1c([O-])cc(N2CCOCC2)c2ccccc21 ZINC000012427831 527065147 /nfs/dbraw/zinc/06/51/47/527065147.db2.gz UVCFHYMWAMNALD-UHFFFAOYSA-N -1 3 448.548 4.241 50 0 IIAAHM O=C([N-]c1cc(-c2ccccc2)no1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000012915829 527098964 /nfs/dbraw/zinc/09/89/64/527098964.db2.gz RWZWBFZQRRMNFW-JOCHJYFZSA-N -1 3 437.455 4.188 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)cc1 ZINC000000674250 555533066 /nfs/dbraw/zinc/53/30/66/555533066.db2.gz KHRAKWZSCPVHJN-UHFFFAOYSA-N -1 3 440.521 4.212 50 0 IIAAHM O=C([O-])CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1 ZINC000001194023 555676383 /nfs/dbraw/zinc/67/63/83/555676383.db2.gz ZTFBETZZRJLHQH-NRFANRHFSA-N -1 3 439.309 4.465 50 0 IIAAHM O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[O-])C1(Br)c3ccccc3C2c2ccccc21 ZINC000002079033 555736609 /nfs/dbraw/zinc/73/66/09/555736609.db2.gz VMHYPYGFOAEVFO-ISQHLFTMSA-N -1 3 446.300 4.295 50 0 IIAAHM CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000008915383 556232430 /nfs/dbraw/zinc/23/24/30/556232430.db2.gz APDVGRBZNXOVEU-WWMYMODYSA-N -1 3 438.421 4.227 50 0 IIAAHM O=C(NCCc1ccc(Cl)cc1Cl)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000013893618 556327937 /nfs/dbraw/zinc/32/79/37/556327937.db2.gz VIRQCGRWMYEMRG-HXUWFJFHSA-N -1 3 447.293 4.077 50 0 IIAAHM Cc1nc(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)sc1CC(N)=O ZINC000028937618 556464606 /nfs/dbraw/zinc/46/46/06/556464606.db2.gz QZQGKBQUMWBRQL-VIFPVBQESA-N -1 3 448.620 4.359 50 0 IIAAHM COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000013127113 556475715 /nfs/dbraw/zinc/47/57/15/556475715.db2.gz SXWVMIJFJNVLDU-UXHICEINSA-N -1 3 445.479 4.287 50 0 IIAAHM CN(Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1)C[C@@H]1COc2ccccc2O1 ZINC000013163864 556494780 /nfs/dbraw/zinc/49/47/80/556494780.db2.gz UTERPTKGIAGRML-MRXNPFEDSA-N -1 3 437.496 4.063 50 0 IIAAHM COc1cc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1[O-] ZINC000013547808 556514202 /nfs/dbraw/zinc/51/42/02/556514202.db2.gz ALYOKVANRLSMPO-UHFFFAOYSA-N -1 3 448.588 4.492 50 0 IIAAHM COc1ccc(Oc2ccc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)cc2)cc1 ZINC000065005234 556831984 /nfs/dbraw/zinc/83/19/84/556831984.db2.gz XHPPDJYDCIUNNZ-UHFFFAOYSA-N -1 3 437.477 4.016 50 0 IIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2ccccc2OC)on1 ZINC000020137510 556988764 /nfs/dbraw/zinc/98/87/64/556988764.db2.gz UKELMJGOSDQMGV-UHFFFAOYSA-N -1 3 428.466 4.352 50 0 IIAAHM COc1cc(C=C2C(=O)N(c3ccc(C(C)=O)cc3)N=C2C)cc(Br)c1[O-] ZINC000017265035 557048237 /nfs/dbraw/zinc/04/82/37/557048237.db2.gz LZTSSQPOQPPQPD-PXNMLYILSA-N -1 3 429.270 4.172 50 0 IIAAHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000017305932 557052359 /nfs/dbraw/zinc/05/23/59/557052359.db2.gz LBXCMNHCYKDKLA-MRXNPFEDSA-N -1 3 442.548 4.425 50 0 IIAAHM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)c2)n1 ZINC000033297776 557073153 /nfs/dbraw/zinc/07/31/53/557073153.db2.gz CEKHXKABZTVYHM-UHFFFAOYSA-N -1 3 436.580 4.376 50 0 IIAAHM Cc1ccc(-c2csc3[n-]c(CN(C)Cc4ccc5c(c4)OCO5)nc(=O)c23)s1 ZINC000023955797 557127616 /nfs/dbraw/zinc/12/76/16/557127616.db2.gz CLEUTMKDBOOZTJ-UHFFFAOYSA-N -1 3 425.535 4.382 50 0 IIAAHM O=C(c1ccc(C2CCCCC2)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011451115 557149424 /nfs/dbraw/zinc/14/94/24/557149424.db2.gz ILVGIRGGFVIPCM-UHFFFAOYSA-N -1 3 432.611 4.379 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(C(C)C)s3)c2)cc1 ZINC000026572786 557245128 /nfs/dbraw/zinc/24/51/28/557245128.db2.gz NZCHOTAYVFYTNH-UHFFFAOYSA-N -1 3 430.555 4.331 50 0 IIAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1cccc(C)c1C)c1nc(C)cs1 ZINC000102905708 557411704 /nfs/dbraw/zinc/41/17/04/557411704.db2.gz RIESQFHQEOCAIS-GOSISDBHSA-N -1 3 429.567 4.262 50 0 IIAAHM O=S(=O)([N-]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(F)cc(F)c1 ZINC000014851205 557495951 /nfs/dbraw/zinc/49/59/51/557495951.db2.gz UDVQYLZCNVOBPX-UHFFFAOYSA-N -1 3 439.487 4.355 50 0 IIAAHM CCCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccccc1Br ZINC000045962086 557557034 /nfs/dbraw/zinc/55/70/34/557557034.db2.gz NQEXVDNPWKMCOW-UHFFFAOYSA-N -1 3 437.315 4.178 50 0 IIAAHM COCCc1cc(Br)cc(Br)c1[N-]S(=O)(=O)c1ccccc1 ZINC000225606320 557750688 /nfs/dbraw/zinc/75/06/88/557750688.db2.gz HQYTYUHYCVJIOZ-UHFFFAOYSA-N -1 3 449.164 4.201 50 0 IIAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000229995289 557835019 /nfs/dbraw/zinc/83/50/19/557835019.db2.gz ZXHZFLCORQNOFT-NLWGTHIKSA-N -1 3 440.286 4.440 50 0 IIAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1)NC1CCCCC1 ZINC000000892320 557860483 /nfs/dbraw/zinc/86/04/83/557860483.db2.gz VMLCOTCPZAKPCX-UHFFFAOYSA-N -1 3 436.581 4.434 50 0 IIAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1ccc(Br)cc1 ZINC000008603082 562955968 /nfs/dbraw/zinc/95/59/68/562955968.db2.gz JTKDQKDVGLKLOR-UHFFFAOYSA-N -1 3 447.343 4.171 50 0 aggregator IIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(F)(F)F)cc2)c(C)c1C ZINC000044038272 568746277 /nfs/dbraw/zinc/74/62/77/568746277.db2.gz DZKCUJILEYDVDD-UHFFFAOYSA-N -1 3 442.503 4.251 50 0 IIAAHM COc1ccc(NC(=O)C[C@H](c2cccc3ccccc32)n2cccc2)cc1-c1nnn[n-]1 ZINC000263588211 568761033 /nfs/dbraw/zinc/76/10/33/568761033.db2.gz QKUQYJLOZPGJRR-JOCHJYFZSA-N -1 3 438.491 4.448 50 0 IIAAHM COc1ccc(NC(=O)C[C@H](c2cccc3ccccc32)n2cccc2)cc1-c1nn[n-]n1 ZINC000263588211 568761035 /nfs/dbraw/zinc/76/10/35/568761035.db2.gz QKUQYJLOZPGJRR-JOCHJYFZSA-N -1 3 438.491 4.448 50 0 IIAAHM O=C(Nc1ccc(F)c(Cl)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000015865797 568850459 /nfs/dbraw/zinc/85/04/59/568850459.db2.gz VLQPOABCHFJSNC-KRWDZBQOSA-N -1 3 438.933 4.069 50 0 IIAAHM Cc1cc(Cl)ccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000015865778 568850461 /nfs/dbraw/zinc/85/04/61/568850461.db2.gz SEKLFQZPCKXMTP-GOSISDBHSA-N -1 3 434.970 4.238 50 0 IIAAHM Cc1cc(Cl)ccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000015865779 568850572 /nfs/dbraw/zinc/85/05/72/568850572.db2.gz SEKLFQZPCKXMTP-SFHVURJKSA-N -1 3 434.970 4.238 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000245309965 568914631 /nfs/dbraw/zinc/91/46/31/568914631.db2.gz GLVBQKOMRGPEFT-DNVJHFABSA-N -1 3 432.451 4.276 50 0 IIAAHM Cc1ccc(-c2nc3ccccc3n2CC[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000064956841 568999341 /nfs/dbraw/zinc/99/93/41/568999341.db2.gz CGVOOCKWDHKHQD-UHFFFAOYSA-N -1 3 427.476 4.268 50 0 IIAAHM CC[C@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063343 569097879 /nfs/dbraw/zinc/09/78/79/569097879.db2.gz KONAPAWJLNLQHI-HNNXBMFYSA-N -1 3 443.500 4.342 50 0 IIAAHM COC(=O)c1cccc(Nc2c(-c3cc(Br)ccc3[O-])nc3cnccn32)c1 ZINC000065322780 569136799 /nfs/dbraw/zinc/13/67/99/569136799.db2.gz KOTAZZBXXLDADW-UHFFFAOYSA-N -1 3 439.269 4.395 50 0 IIAAHM CCC(CC)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cccc(C)c1 ZINC000170619411 569147633 /nfs/dbraw/zinc/14/76/33/569147633.db2.gz SJSRGOSXONKWPG-JOCHJYFZSA-N -1 3 427.570 4.480 50 0 IIAAHM Cc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2cccs2)c1 ZINC000079112316 569326285 /nfs/dbraw/zinc/32/62/85/569326285.db2.gz OBWSJVWNIIOGLV-FQEVSTJZSA-N -1 3 439.562 4.420 50 0 IIAAHM Cc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2cccs2)c1 ZINC000079112317 569326299 /nfs/dbraw/zinc/32/62/99/569326299.db2.gz OBWSJVWNIIOGLV-HXUWFJFHSA-N -1 3 439.562 4.420 50 0 IIAAHM C[C@@H](NC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1ccccc1)c1ccccc1 ZINC000020377757 569362302 /nfs/dbraw/zinc/36/23/02/569362302.db2.gz PRLGQTZJVFPEIQ-KOSHJBKYSA-N -1 3 445.544 4.132 50 0 IIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(Cl)c2F)CCO1 ZINC000096116905 569383965 /nfs/dbraw/zinc/38/39/65/569383965.db2.gz LIPUFNZYIUXJQN-QFYYESIMSA-N -1 3 425.913 4.286 50 0 IIAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)cc2O1 ZINC000096221645 569387047 /nfs/dbraw/zinc/38/70/47/569387047.db2.gz SJIPHDYGTZDAMT-SFHVURJKSA-N -1 3 434.492 4.190 50 0 biogenic IIAAHM COC(=O)C[C@@H](c1c(=O)[n-][nH]c1Cc1cc(F)c(F)cc1F)c1ccc(F)c(F)c1 ZINC000096231525 569387610 /nfs/dbraw/zinc/38/76/10/569387610.db2.gz PAAOMLUZGMZGBT-LLVKDONJSA-N -1 3 426.341 4.097 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000230037042 569418296 /nfs/dbraw/zinc/41/82/96/569418296.db2.gz ZPTSNQBCAKAQMC-YTFSRNRJSA-N -1 3 432.451 4.276 50 0 IIAAHM COc1ccc(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)c2ccccc12 ZINC000029306803 569429548 /nfs/dbraw/zinc/42/95/48/569429548.db2.gz OZDQRAYZGPZAMK-UHFFFAOYSA-N -1 3 430.493 4.279 50 0 IIAAHM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)c1ccccc1 ZINC000003310606 569445488 /nfs/dbraw/zinc/44/54/88/569445488.db2.gz SNEABGXFJGEZKK-OAHLLOKOSA-N -1 3 427.453 4.055 50 0 IIAAHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CCOCC1 ZINC000038680311 569466753 /nfs/dbraw/zinc/46/67/53/569466753.db2.gz VIEYYIIQUAVXTR-UHFFFAOYSA-N -1 3 444.380 4.337 50 0 IIAAHM COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1F ZINC000008747868 569473147 /nfs/dbraw/zinc/47/31/47/569473147.db2.gz DBNOGLQTPIVAGW-UHFFFAOYSA-N -1 3 446.475 4.046 50 0 IIAAHM COc1ccc2c(c1)CC[C@H]1C2=NN(c2nc(-c3ccccn3)cs2)[C@@]1([O-])C(F)(F)F ZINC000008777903 569475481 /nfs/dbraw/zinc/47/54/81/569475481.db2.gz RBSGBCDKLQBTMC-YWZLYKJASA-N -1 3 446.454 4.251 50 0 IIAAHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115347 569489206 /nfs/dbraw/zinc/48/92/06/569489206.db2.gz QEIPQZCGFKFPEP-UHFFFAOYSA-N -1 3 427.379 4.226 50 0 IIAAHM CCCN1c2cc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009172101 569509469 /nfs/dbraw/zinc/50/94/69/569509469.db2.gz QWGOEXGHOMYLRV-UHFFFAOYSA-N -1 3 446.569 4.274 50 0 IIAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(OCC)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009172095 569509501 /nfs/dbraw/zinc/50/95/01/569509501.db2.gz FUTSCKHXRLDAQC-UHFFFAOYSA-N -1 3 446.569 4.356 50 0 IIAAHM COc1ccc(Cc2nc3c4c(ncn3n2)Oc2cc([O-])ccc2[C@@H]4c2ccco2)cc1 ZINC000009348443 569524525 /nfs/dbraw/zinc/52/45/25/569524525.db2.gz PSYMXTPVVXIIDG-OAQYLSRUSA-N -1 3 426.432 4.308 50 0 IIAAHM COCc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)ccc1OC ZINC000009432016 569534371 /nfs/dbraw/zinc/53/43/71/569534371.db2.gz AELWPFUQGPKRLO-FQEVSTJZSA-N -1 3 431.558 4.414 50 0 IIAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000009572499 569547804 /nfs/dbraw/zinc/54/78/04/569547804.db2.gz BPDJVFICKDWMLV-UHFFFAOYSA-N -1 3 425.558 4.484 50 0 IIAAHM O=C(CCC(=O)c1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009604878 569551915 /nfs/dbraw/zinc/55/19/15/569551915.db2.gz JYJJSNOTZXEEQA-UHFFFAOYSA-N -1 3 432.498 4.290 50 0 IIAAHM Cc1sc2nc(SCC(=O)Nc3ccccc3[O-])n(Cc3ccco3)c(=O)c2c1C ZINC000009970697 569576206 /nfs/dbraw/zinc/57/62/06/569576206.db2.gz YITSODIDPOGTCK-UHFFFAOYSA-N -1 3 441.534 4.153 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)c(C)c1 ZINC000010186575 569578440 /nfs/dbraw/zinc/57/84/40/569578440.db2.gz XPTZTUQTCUAMKR-UHFFFAOYSA-N -1 3 437.496 4.251 50 0 IIAAHM CCCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)nc(C)n1 ZINC000012226390 520314986 /nfs/dbraw/zinc/31/49/86/520314986.db2.gz LXRHOLDMPPRXKB-UHFFFAOYSA-N -1 3 428.514 4.127 50 0 IIAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)s1 ZINC000033306547 521194186 /nfs/dbraw/zinc/19/41/86/521194186.db2.gz DPISADBTSKUOSN-CSKARUKUSA-N -1 3 449.529 4.181 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(OCC)nc(C)n3)cc2)cc1 ZINC000012226262 521211283 /nfs/dbraw/zinc/21/12/83/521211283.db2.gz LZPLMGQAJROZRZ-UHFFFAOYSA-N -1 3 428.514 4.127 50 0 IIAAHM CCCn1cnc2cc(-c3noc([C@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)ccc21 ZINC000035453563 521663453 /nfs/dbraw/zinc/66/34/53/521663453.db2.gz VJHUAGNKPBCCRO-HXUWFJFHSA-N -1 3 439.541 4.172 50 0 IIAAHM CCn1c(C)cc(C(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)c1C ZINC000012730941 523126358 /nfs/dbraw/zinc/12/63/58/523126358.db2.gz HMMQJVWHSZNYMM-UHFFFAOYSA-N -1 3 441.944 4.175 50 0 IIAAHM COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(Cl)c([O-])c(OC)c3)N3CCC[C@@]23C1=O ZINC000012092653 524456159 /nfs/dbraw/zinc/45/61/59/524456159.db2.gz JXBWAFQBGZKCSC-KDLAUNOPSA-N -1 3 442.943 4.001 50 0 IIAAHM Cc1ccccc1CN1CCN(Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)CC1 ZINC000022833622 525142541 /nfs/dbraw/zinc/14/25/41/525142541.db2.gz UALYKCDFHVRCSH-UHFFFAOYSA-N -1 3 448.567 4.417 50 0 IIAAHM Cc1ccccc1OCc1nc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n[n-]1 ZINC000012534744 525317353 /nfs/dbraw/zinc/31/73/53/525317353.db2.gz KANYLFQDCBJGAA-UHFFFAOYSA-N -1 3 437.569 4.413 50 0 IIAAHM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(C)n1C ZINC000021030360 525567822 /nfs/dbraw/zinc/56/78/22/525567822.db2.gz FLHGZBQJAYACEN-UHFFFAOYSA-N -1 3 437.993 4.277 50 0 IIAAHM Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4[O-])C3)no2)cc1 ZINC000021724706 525808846 /nfs/dbraw/zinc/80/88/46/525808846.db2.gz CAYRHFSKRISEPY-MRXNPFEDSA-N -1 3 426.904 4.255 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000021603403 526003336 /nfs/dbraw/zinc/00/33/36/526003336.db2.gz QDBVPGZEHYJJNV-GFCCVEGCSA-N -1 3 425.901 4.294 50 0 IIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)cc(N2CCCC2)n1 ZINC000021795777 527004754 /nfs/dbraw/zinc/00/47/54/527004754.db2.gz ONVSNTSKUPWWNW-UHFFFAOYSA-N -1 3 445.495 4.208 50 0 IIAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2ncsc2c1 ZINC000022068358 527234241 /nfs/dbraw/zinc/23/42/41/527234241.db2.gz ICYPMZQBXLTOPB-UHFFFAOYSA-N -1 3 427.482 4.489 50 0 IIAAHM O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(Cc2ccccn2)CC1 ZINC000020745996 527656330 /nfs/dbraw/zinc/65/63/30/527656330.db2.gz JMIANGZHENYCSZ-RUZDIDTESA-N -1 3 426.520 4.173 50 0 IIAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020737296 527657132 /nfs/dbraw/zinc/65/71/32/527657132.db2.gz BEYSTTBMXLNDDS-GOSISDBHSA-N -1 3 438.837 4.183 50 0 IIAAHM COc1ccc(C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)cc1COc1ccc(Cl)cc1 ZINC000000655825 555524839 /nfs/dbraw/zinc/52/48/39/555524839.db2.gz RQSPXSWBFMZVSG-IBGZPJMESA-N -1 3 442.821 4.400 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3)ccc2C)cc1 ZINC000000826755 555565137 /nfs/dbraw/zinc/56/51/37/555565137.db2.gz MDINYWFYGIBXII-UHFFFAOYSA-N -1 3 426.494 4.065 50 0 IIAAHM COc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc(Br)c1[O-] ZINC000000826798 555565195 /nfs/dbraw/zinc/56/51/95/555565195.db2.gz ATPODLZYGQBSNN-INIZCTEOSA-N -1 3 447.314 4.240 50 0 IIAAHM C[C@@H]1SC([N-]C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)=NC1=O ZINC000001064009 555617259 /nfs/dbraw/zinc/61/72/59/555617259.db2.gz FGQCHXLNEWPLGY-AWEZNQCLSA-N -1 3 434.546 4.037 50 0 IIAAHM COC(=O)c1sc([N-]C(=O)c2c(C)onc2-c2ccccc2Cl)c(C(=O)OC)c1C ZINC000001115190 555634042 /nfs/dbraw/zinc/63/40/42/555634042.db2.gz IJZSJRXHKGJCIK-UHFFFAOYSA-N -1 3 448.884 4.499 50 0 IIAAHM COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)c2ccc(Cl)cc2Cl)cc1)C(F)(F)F ZINC000002819918 555829863 /nfs/dbraw/zinc/82/98/63/555829863.db2.gz BRQVESFTIHKFLN-QGZVFWFLSA-N -1 3 436.213 4.193 50 0 IIAAHM O=C([N-]c1ccc(I)cc1F)c1c(F)c(F)c(F)c(F)c1F ZINC000002845698 555837288 /nfs/dbraw/zinc/83/72/88/555837288.db2.gz DRULEUVLAVVUGR-UHFFFAOYSA-N -1 3 431.073 4.378 50 0 IIAAHM CCOC(=O)[C@]([O-])(c1ccc2nc(NC(=O)Nc3ccccc3)sc2c1)C(F)(F)F ZINC000002869432 555849065 /nfs/dbraw/zinc/84/90/65/555849065.db2.gz LIURNEXKLONTHV-GOSISDBHSA-N -1 3 439.415 4.253 50 0 IIAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000002882163 555855894 /nfs/dbraw/zinc/85/58/94/555855894.db2.gz BRPAMVCLIIYURK-UHFFFAOYSA-N -1 3 430.913 4.467 50 0 IIAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000002997676 555876316 /nfs/dbraw/zinc/87/63/16/555876316.db2.gz QOPKCGNFYVXXGH-UHFFFAOYSA-N -1 3 431.295 4.271 50 0 IIAAHM Cc1csc(NC(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000010555740 555977811 /nfs/dbraw/zinc/97/78/11/555977811.db2.gz JMUBXBSXOGVGRR-UHFFFAOYSA-N -1 3 425.894 4.297 50 0 IIAAHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000008816349 556217726 /nfs/dbraw/zinc/21/77/26/556217726.db2.gz HIEKGKPGMRBRCC-SYZQJQIISA-N -1 3 426.469 4.287 50 0 IIAAHM CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000009359321 556285483 /nfs/dbraw/zinc/28/54/83/556285483.db2.gz APDVGRBZNXOVEU-FIKGOQFSSA-N -1 3 438.421 4.227 50 0 IIAAHM COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000013758979 556301465 /nfs/dbraw/zinc/30/14/65/556301465.db2.gz PNLDAACTMMOHLJ-MOPGFXCFSA-N -1 3 433.443 4.417 50 0 IIAAHM CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000032774456 556336538 /nfs/dbraw/zinc/33/65/38/556336538.db2.gz ZTIXWNMYVFQNHH-CQSZACIVSA-N -1 3 435.509 4.039 50 0 IIAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3c(F)cccc3Cl)nc(=O)c2c1C ZINC000013062771 556451137 /nfs/dbraw/zinc/45/11/37/556451137.db2.gz VFFGWZKUCQAMPV-LLVKDONJSA-N -1 3 437.924 4.455 50 0 IIAAHM Cc1ccc(C[N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)o1 ZINC000046141406 556692744 /nfs/dbraw/zinc/69/27/44/556692744.db2.gz YVAMVCOZMGQCQL-UHFFFAOYSA-N -1 3 433.486 4.293 50 0 IIAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@H]2CCc3c2cccc3F)CC1 ZINC000058159509 556763781 /nfs/dbraw/zinc/76/37/81/556763781.db2.gz ZPQUALWCRMZGCO-SFHVURJKSA-N -1 3 431.895 4.232 50 0 IIAAHM CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3c(Cl)cc(OC)cc3OC)c2)no1 ZINC000033086488 556857132 /nfs/dbraw/zinc/85/71/32/556857132.db2.gz XYGTVSQTFJZBSD-UHFFFAOYSA-N -1 3 437.905 4.079 50 0 IIAAHM CCN(C(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)c1ccc(C(C)C)cc1 ZINC000046031455 557024003 /nfs/dbraw/zinc/02/40/03/557024003.db2.gz FXUFJKJGPHDZJG-UHFFFAOYSA-N -1 3 447.564 4.377 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000017308131 557054237 /nfs/dbraw/zinc/05/42/37/557054237.db2.gz PIWUDRVPZXBFBC-UHFFFAOYSA-N -1 3 436.533 4.479 50 0 IIAAHM CC(C)c1c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000023053525 557060164 /nfs/dbraw/zinc/06/01/64/557060164.db2.gz RQUTXVMYQMVQLH-UHFFFAOYSA-N -1 3 440.352 4.407 50 0 IIAAHM CC(C)c1c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000023079125 557062451 /nfs/dbraw/zinc/06/24/51/557062451.db2.gz VZKGNGPOCOKYBC-UHFFFAOYSA-N -1 3 440.352 4.407 50 0 IIAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)c1 ZINC000024635432 557156782 /nfs/dbraw/zinc/15/67/82/557156782.db2.gz SUQRRGVFYBOGPZ-UHFFFAOYSA-N -1 3 448.500 4.246 50 0 IIAAHM Cc1c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)sc2nc(C(C)(C)C)nc(C)c12 ZINC000026084463 557233558 /nfs/dbraw/zinc/23/35/58/557233558.db2.gz WBFDIHKYVKRYOF-UHFFFAOYSA-N -1 3 435.546 4.401 50 0 IIAAHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc([O-])cc2I)cc1 ZINC000225434519 557722579 /nfs/dbraw/zinc/72/25/79/557722579.db2.gz AQLYTMNCAGXIEG-SNVBAGLBSA-N -1 3 429.279 4.125 50 0 IIAAHM Cc1ccccc1C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cccs1 ZINC000225495511 557730185 /nfs/dbraw/zinc/73/01/85/557730185.db2.gz WTGSBUACTYSRQR-HXUWFJFHSA-N -1 3 439.562 4.420 50 0 IIAAHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000225656659 557757690 /nfs/dbraw/zinc/75/76/90/557757690.db2.gz AUJXWTHGPBZINE-JTQLQIEISA-N -1 3 442.285 4.157 50 0 IIAAHM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)C[C@H](C)O1 ZINC000003212873 562932912 /nfs/dbraw/zinc/93/29/12/562932912.db2.gz IWJSFSNMTOSQRR-STQMWFEESA-N -1 3 443.352 4.044 50 0 IIAAHM CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N([N-]C(=O)c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000001426358 568793949 /nfs/dbraw/zinc/79/39/49/568793949.db2.gz WNZPEYYQWOLOGI-LMGFAJPXSA-N -1 3 442.902 4.051 50 0 IIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1 ZINC000015671339 568802828 /nfs/dbraw/zinc/80/28/28/568802828.db2.gz FIHFUKOVEMWGHG-UHFFFAOYSA-N -1 3 437.569 4.492 50 0 IIAAHM C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc2NC1=O ZINC000015730695 568814081 /nfs/dbraw/zinc/81/40/81/568814081.db2.gz ZWYHCYKBLCQHOA-SECBINFHSA-N -1 3 445.335 4.069 50 0 IIAAHM COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000085876743 568838579 /nfs/dbraw/zinc/83/85/79/568838579.db2.gz HKVKWGWLBJTYSG-LJQANCHMSA-N -1 3 442.489 4.047 50 0 biogenic IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCCOc3cc(C)cc(C)c3)c2)S1 ZINC000015833040 568842546 /nfs/dbraw/zinc/84/25/46/568842546.db2.gz NKTOWICKASGOOR-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000137336300 568909111 /nfs/dbraw/zinc/90/91/11/568909111.db2.gz ZOJIDIFKCOZITF-KMDXXIMOSA-N -1 3 428.488 4.309 50 0 IIAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862097 568973861 /nfs/dbraw/zinc/97/38/61/568973861.db2.gz NUTCIUGYXIOBRT-UHFFFAOYSA-N -1 3 427.570 4.455 50 0 IIAAHM CCOC(=O)c1cccc([N-]C(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)c1 ZINC000064871855 568977948 /nfs/dbraw/zinc/97/79/48/568977948.db2.gz JERLTFQFWDQVQP-UHFFFAOYSA-N -1 3 444.534 4.002 50 0 IIAAHM COCCCNc1c(-c2cc(OC)c([O-])c(OC)c2)nc2sc3cc(OC)ccc3n21 ZINC000065319345 569134831 /nfs/dbraw/zinc/13/48/31/569134831.db2.gz ODIAJIQDJSSXAR-UHFFFAOYSA-N -1 3 443.525 4.396 50 0 IIAAHM O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000014213450 569158182 /nfs/dbraw/zinc/15/81/82/569158182.db2.gz LIKPCUYPZUOYKD-UHFFFAOYSA-N -1 3 444.944 4.157 50 0 IIAAHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000089591084 569159730 /nfs/dbraw/zinc/15/97/30/569159730.db2.gz NPCICMCVQQNOHN-UHFFFAOYSA-N -1 3 430.599 4.280 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)c(C)c2)cc1 ZINC000002871698 569177475 /nfs/dbraw/zinc/17/74/75/569177475.db2.gz VXDCHXAOULIJKJ-UHFFFAOYSA-N -1 3 442.581 4.490 50 0 IIAAHM O=c1[n-]c(=S)n(-c2cccc3ccccc32)c(O)c1[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000002107583 569181320 /nfs/dbraw/zinc/18/13/20/569181320.db2.gz BIHDBPLZLQXXKS-QFIPXVFZSA-N -1 3 440.528 4.470 50 0 biogenic IIAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)cc2O1 ZINC000253413142 569265986 /nfs/dbraw/zinc/26/59/86/569265986.db2.gz TXPSMVHSAJQDJG-GOSISDBHSA-N -1 3 449.507 4.145 50 0 biogenic IIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000002409309 569300478 /nfs/dbraw/zinc/30/04/78/569300478.db2.gz GIIMJJMIHWGLSE-SLFFLAALSA-N -1 3 440.286 4.440 50 0 IIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c(C)c1 ZINC000013009966 569306765 /nfs/dbraw/zinc/30/67/65/569306765.db2.gz WPHIMNFMJNLFFG-UHFFFAOYSA-N -1 3 434.525 4.132 50 0 IIAAHM Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc([O-])cc4O)cc3)sc2c1 ZINC000013137423 569311470 /nfs/dbraw/zinc/31/14/70/569311470.db2.gz RIOFNWYBDXZZHA-UHFFFAOYSA-N -1 3 434.473 4.478 50 0 IIAAHM CCOC(=O)[C@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000020032628 569332432 /nfs/dbraw/zinc/33/24/32/569332432.db2.gz JQBLAKUKAVELCB-SFHVURJKSA-N -1 3 448.800 4.151 50 0 IIAAHM C[C@H](NC(=O)[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1ccccc1)c1ccccc1 ZINC000020377769 569362278 /nfs/dbraw/zinc/36/22/78/569362278.db2.gz PRLGQTZJVFPEIQ-MHECFPHRSA-N -1 3 445.544 4.132 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Br)ccc2OCc2ccccc2)S1 ZINC000020896118 569375105 /nfs/dbraw/zinc/37/51/05/569375105.db2.gz CLTFMDPMZONDQK-GOSISDBHSA-N -1 3 448.342 4.029 50 0 IIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(OC(F)F)c2)CCO1 ZINC000096117871 569384210 /nfs/dbraw/zinc/38/42/10/569384210.db2.gz BTSMELNPFURBIT-MLGOLLRUSA-N -1 3 439.484 4.095 50 0 IIAAHM CC[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000028323739 569409731 /nfs/dbraw/zinc/40/97/31/569409731.db2.gz JIVJMENQABSZMU-RNJZWHOHSA-N -1 3 446.034 4.017 50 0 IIAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000003022583 569436038 /nfs/dbraw/zinc/43/60/38/569436038.db2.gz ZMPAWYKVTYKFMS-FOIQADDNSA-N -1 3 434.533 4.334 50 0 IIAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@@H]3CCCC[C@@H]3C)c2)cc1 ZINC000003022587 569436043 /nfs/dbraw/zinc/43/60/43/569436043.db2.gz ZMPAWYKVTYKFMS-MGPUTAFESA-N -1 3 434.533 4.334 50 0 IIAAHM O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000003355086 569447591 /nfs/dbraw/zinc/44/75/91/569447591.db2.gz DKECYNPTEZNCMT-UHFFFAOYSA-N -1 3 448.859 4.261 50 0 IIAAHM CCc1nnc([N-]C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)s1 ZINC000003401775 569449837 /nfs/dbraw/zinc/44/98/37/569449837.db2.gz ZLMAXRAWPHDFCO-UHFFFAOYSA-N -1 3 447.303 4.460 50 0 IIAAHM COc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000008748916 569473244 /nfs/dbraw/zinc/47/32/44/569473244.db2.gz IGKMQWYIOXWZJQ-UHFFFAOYSA-N -1 3 436.942 4.392 50 0 IIAAHM CC(=O)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000008964528 569491307 /nfs/dbraw/zinc/49/13/07/569491307.db2.gz QJDCMTKAGGWMJW-NZCWTCFWSA-N -1 3 440.524 4.310 50 0 biogenic IIAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1C ZINC000008977125 569492957 /nfs/dbraw/zinc/49/29/57/569492957.db2.gz LABJSLMZUIILSC-UHFFFAOYSA-N -1 3 430.570 4.044 50 0 IIAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000008977301 569493032 /nfs/dbraw/zinc/49/30/32/569493032.db2.gz MUUWNXDRMSHJJW-UHFFFAOYSA-N -1 3 430.526 4.195 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=S)NC(=O)c3ccco3)c2)c(C)c1 ZINC000009138410 569507222 /nfs/dbraw/zinc/50/72/22/569507222.db2.gz APAOTGXSAIYGRF-UHFFFAOYSA-N -1 3 443.550 4.132 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000009169349 569509206 /nfs/dbraw/zinc/50/92/06/569509206.db2.gz FYEBGEJVNFUHSJ-UHFFFAOYSA-N -1 3 446.569 4.294 50 0 IIAAHM CCN1c2cc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2OCC(C)(C)C1=O ZINC000009170509 569509343 /nfs/dbraw/zinc/50/93/43/569509343.db2.gz UTMAOQHUWONUFR-UHFFFAOYSA-N -1 3 430.570 4.493 50 0 IIAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)ccc2OCC(C)(C)C1=O ZINC000009170847 569509379 /nfs/dbraw/zinc/50/93/79/569509379.db2.gz XROBMTACONCRHM-UHFFFAOYSA-N -1 3 446.569 4.294 50 0 IIAAHM CC(=O)c1ccc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3C)n2)cc1 ZINC000009244404 569515049 /nfs/dbraw/zinc/51/50/49/569515049.db2.gz LUQZEVKDJIDACA-UHFFFAOYSA-N -1 3 430.917 4.279 50 0 IIAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2O1 ZINC000009303115 569521037 /nfs/dbraw/zinc/52/10/37/569521037.db2.gz IWVXRAWLYQEDLB-UHFFFAOYSA-N -1 3 442.899 4.008 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccccc2F)C1 ZINC000009378567 569527620 /nfs/dbraw/zinc/52/76/20/569527620.db2.gz LBELTCFILYQINN-IBGZPJMESA-N -1 3 443.525 4.250 50 0 IIAAHM CCCSc1ncc(Cl)c(C(=O)[N-]c2sc(C(C)=O)c(C)c2C(=O)OC)n1 ZINC000009431824 569534291 /nfs/dbraw/zinc/53/42/91/569534291.db2.gz HUEQDXVMSKYALN-UHFFFAOYSA-N -1 3 427.935 4.244 50 0 IIAAHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)c(O)c1 ZINC000009441935 569535434 /nfs/dbraw/zinc/53/54/34/569535434.db2.gz NMGFLKNIGTUEDP-UHFFFAOYSA-N -1 3 431.341 4.194 50 0 IIAAHM O=c1c2c[n-]nc2nc(SCc2ccccc2F)n1-c1ccc(Br)cc1 ZINC000009495583 569541028 /nfs/dbraw/zinc/54/10/28/569541028.db2.gz GMDYNPFIZUFJPS-UHFFFAOYSA-N -1 3 431.290 4.303 50 0 IIAAHM O=c1c2cn[n-]c2nc(SCc2ccccc2F)n1-c1ccc(Br)cc1 ZINC000009495583 569541029 /nfs/dbraw/zinc/54/10/29/569541029.db2.gz GMDYNPFIZUFJPS-UHFFFAOYSA-N -1 3 431.290 4.303 50 0 IIAAHM COc1ccc(-n2nnc(-c3nsc([N-]C(=O)c4cccs4)n3)c2C)cc1Cl ZINC000009638554 569554985 /nfs/dbraw/zinc/55/49/85/569554985.db2.gz OWOFPQRZERBXTL-UHFFFAOYSA-N -1 3 432.918 4.070 50 0 IIAAHM COc1ccc(NC(=O)Cc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000009716284 569563211 /nfs/dbraw/zinc/56/32/11/569563211.db2.gz NZRWLRGOKLOLGA-UHFFFAOYSA-N -1 3 430.913 4.331 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C)c(Br)cc1Br ZINC000054362970 193931350 /nfs/dbraw/zinc/93/13/50/193931350.db2.gz HOYPAHGNUGQUHX-RNCFNFMXSA-N -1 3 425.186 4.377 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCCCOc2cc(C)ccc2C)S1 ZINC000020896246 519643425 /nfs/dbraw/zinc/64/34/25/519643425.db2.gz UISORERRIKXEIS-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccc(Cl)cc3)cc2)S1 ZINC000020895657 519643613 /nfs/dbraw/zinc/64/36/13/519643613.db2.gz UBGFBXZIGYKYRW-FQEVSTJZSA-N -1 3 447.944 4.189 50 0 IIAAHM CCOC([O-])=NC(=O)CSc1nc2ccccc2c(=O)n1CCCCCCC(C)C ZINC000021181915 520973517 /nfs/dbraw/zinc/97/35/17/520973517.db2.gz XSVRFBSWHXYZKN-UHFFFAOYSA-N -1 3 433.574 4.368 50 0 IIAAHM CCOC(=O)[N-]C(=O)CSc1nc2ccccc2c(=O)n1CCCCCCC(C)C ZINC000021181915 520973522 /nfs/dbraw/zinc/97/35/22/520973522.db2.gz XSVRFBSWHXYZKN-UHFFFAOYSA-N -1 3 433.574 4.368 50 0 IIAAHM CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853649 522536902 /nfs/dbraw/zinc/53/69/02/522536902.db2.gz CNNDUDMIDIXODK-IBGZPJMESA-N -1 3 442.585 4.157 50 0 IIAAHM C[C@@]1(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)NC(=O)[N-]C1=O ZINC000012872839 525856635 /nfs/dbraw/zinc/85/66/35/525856635.db2.gz UTXVPENHLVBGPM-DEOSSOPVSA-N -1 3 447.516 4.421 50 0 IIAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(NC(=O)c3ccco3)c2)c1 ZINC000012526278 525981185 /nfs/dbraw/zinc/98/11/85/525981185.db2.gz CDQUZFFYRKZXRQ-UHFFFAOYSA-N -1 3 435.299 4.404 50 0 IIAAHM C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012782690 526124773 /nfs/dbraw/zinc/12/47/73/526124773.db2.gz AVHLEYICEPDDTN-CYBMUJFWSA-N -1 3 436.339 4.377 50 0 IIAAHM CSc1ccccc1NC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000012784283 526174862 /nfs/dbraw/zinc/17/48/62/526174862.db2.gz MUGPOSINGGEJQO-ZDUSSCGKSA-N -1 3 437.550 4.362 50 0 IIAAHM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(c2ccccn2)CC1 ZINC000020677352 526315135 /nfs/dbraw/zinc/31/51/35/526315135.db2.gz XTPZBRCYXUAKHI-VWLOTQADSA-N -1 3 442.519 4.090 50 0 IIAAHM O=C(NCCc1cccc(F)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000012894697 526418292 /nfs/dbraw/zinc/41/82/92/526418292.db2.gz MYNSGVWISRZRSR-UHFFFAOYSA-N -1 3 432.904 4.252 50 0 IIAAHM O=C([N-]c1cc(-c2ccccc2)no1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000012915833 527098457 /nfs/dbraw/zinc/09/84/57/527098457.db2.gz RWZWBFZQRRMNFW-QFIPXVFZSA-N -1 3 437.455 4.188 50 0 IIAAHM O=C1S/C(=C\c2cc(Br)ccc2[O-])C(=O)N1CCOc1ccc(F)cc1 ZINC000001005826 555601114 /nfs/dbraw/zinc/60/11/14/555601114.db2.gz UPBRUYJXHJZZGB-YBEGLDIGSA-N -1 3 438.274 4.409 50 0 IIAAHM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000001065586 555618163 /nfs/dbraw/zinc/61/81/63/555618163.db2.gz MUQLOPRYOFJFFX-UHFFFAOYSA-N -1 3 430.913 4.467 50 0 IIAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000001078601 555625197 /nfs/dbraw/zinc/62/51/97/555625197.db2.gz BJTXUEBCLLTEAW-UHFFFAOYSA-N -1 3 446.488 4.099 50 0 IIAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(OC)c1)C(F)(F)F ZINC000002339700 555770219 /nfs/dbraw/zinc/77/02/19/555770219.db2.gz FGOUSEKUZUMTAH-NRFANRHFSA-N -1 3 448.397 4.415 50 0 IIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000002602334 555789774 /nfs/dbraw/zinc/78/97/74/555789774.db2.gz TWPZRHAMWHCBCC-UHFFFAOYSA-N -1 3 442.449 4.072 50 0 IIAAHM CCOC(=O)c1c(C)c(C(=O)Nc2cccc(OC)c2)sc1[N-]C(=O)c1ccco1 ZINC000002757824 555811526 /nfs/dbraw/zinc/81/15/26/555811526.db2.gz NDGBMHJOYFIFHF-UHFFFAOYSA-N -1 3 428.466 4.339 50 0 IIAAHM Cc1c(C(=O)Nc2ccccc2C)sc([N-]C(=O)c2cnccn2)c1C(=O)OC(C)C ZINC000002763509 556136055 /nfs/dbraw/zinc/13/60/55/556136055.db2.gz VVRIWHQMCBUGEY-UHFFFAOYSA-N -1 3 438.509 4.225 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1 ZINC000002795016 556145257 /nfs/dbraw/zinc/14/52/57/556145257.db2.gz DMMIFRGNTBPVBK-UHFFFAOYSA-N -1 3 434.473 4.155 50 0 IIAAHM CCOc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)c1 ZINC000009243118 556266673 /nfs/dbraw/zinc/26/66/73/556266673.db2.gz OYVJHGHEYHSIPF-JOCHJYFZSA-N -1 3 441.915 4.070 50 0 IIAAHM COc1ccc([C@H]2C[C@H](c3ccc(OC)cc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000013127116 556475675 /nfs/dbraw/zinc/47/56/75/556475675.db2.gz SXWVMIJFJNVLDU-WOJBJXKFSA-N -1 3 445.479 4.287 50 0 IIAAHM COc1ccc(Cc2nc3c4c(ncn3n2)Oc2cc([O-])ccc2[C@H]4c2ccco2)cc1 ZINC000013574106 556524433 /nfs/dbraw/zinc/52/44/33/556524433.db2.gz PSYMXTPVVXIIDG-NRFANRHFSA-N -1 3 426.432 4.308 50 0 IIAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115559 556555465 /nfs/dbraw/zinc/55/54/65/556555465.db2.gz WPOYOCYCHKPVRU-UHFFFAOYSA-N -1 3 426.582 4.314 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1C ZINC000033274527 556558465 /nfs/dbraw/zinc/55/84/65/556558465.db2.gz GCRJGNOBUFWQDQ-UHFFFAOYSA-N -1 3 434.561 4.452 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1 ZINC000033274665 556558806 /nfs/dbraw/zinc/55/88/06/556558806.db2.gz KRVDGUJMHCKLQK-UHFFFAOYSA-N -1 3 442.581 4.223 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1 ZINC000033274763 556559176 /nfs/dbraw/zinc/55/91/76/556559176.db2.gz GDCCZTXRLYVXBO-UHFFFAOYSA-N -1 3 442.581 4.224 50 0 IIAAHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000033686143 556566757 /nfs/dbraw/zinc/56/67/57/556566757.db2.gz DPKRSJDEMOVVLA-YBEGLDIGSA-N -1 3 432.885 4.119 50 0 IIAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000019634248 556833982 /nfs/dbraw/zinc/83/39/82/556833982.db2.gz WWLMZZBLJGJQLN-UHFFFAOYSA-N -1 3 441.534 4.333 50 0 IIAAHM COc1ccccc1NCc1nc(=O)c2c3c(sc2[n-]1)CN(Cc1ccccc1)CC3 ZINC000019926507 556945094 /nfs/dbraw/zinc/94/50/94/556945094.db2.gz RBFLEMDLMYZVMX-UHFFFAOYSA-N -1 3 432.549 4.164 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)c(C)c1 ZINC000032943767 557021466 /nfs/dbraw/zinc/02/14/66/557021466.db2.gz BYRHRHDQTAPGBH-UHFFFAOYSA-N -1 3 433.599 4.101 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)c(C)c1 ZINC000046027448 557023616 /nfs/dbraw/zinc/02/36/16/557023616.db2.gz GUOGEOCCKYMWDK-UHFFFAOYSA-N -1 3 437.565 4.052 50 0 IIAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)c1 ZINC000046074836 557031046 /nfs/dbraw/zinc/03/10/46/557031046.db2.gz DOHGNHZQKPWKQV-SFHVURJKSA-N -1 3 448.548 4.052 50 0 IIAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000046074965 557031443 /nfs/dbraw/zinc/03/14/43/557031443.db2.gz LWRWFKIHJPFHNY-GOSISDBHSA-N -1 3 448.548 4.052 50 0 IIAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1C ZINC000046075601 557032485 /nfs/dbraw/zinc/03/24/85/557032485.db2.gz GAQUHGXJVZADQI-SFHVURJKSA-N -1 3 448.548 4.052 50 0 IIAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000048331835 557069520 /nfs/dbraw/zinc/06/95/20/557069520.db2.gz OSQCIXZQMKMBDW-UHFFFAOYSA-N -1 3 445.903 4.090 50 0 IIAAHM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000033297882 557073931 /nfs/dbraw/zinc/07/39/31/557073931.db2.gz JMNPMODKMWUZAW-RAXLEYEMSA-N -1 3 429.473 4.442 50 0 IIAAHM CC(C)OCCCNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000017408353 557086263 /nfs/dbraw/zinc/08/62/63/557086263.db2.gz XXXBWJIZIFZHQP-OAHLLOKOSA-N -1 3 445.610 4.205 50 0 IIAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc(C)n1 ZINC000033324503 557106266 /nfs/dbraw/zinc/10/62/66/557106266.db2.gz XGBDHDPMDWWYGQ-UHFFFAOYSA-N -1 3 425.558 4.484 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1Cl ZINC000033326853 557108801 /nfs/dbraw/zinc/10/88/01/557108801.db2.gz KCQMQYHLYUZKRC-UHFFFAOYSA-N -1 3 447.948 4.057 50 0 IIAAHM O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)[N-]C(=O)c1cccs1 ZINC000023221695 557115599 /nfs/dbraw/zinc/11/55/99/557115599.db2.gz KVFSJWNLQRRQHW-UHFFFAOYSA-N -1 3 449.410 4.019 50 0 IIAAHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccccc1 ZINC000001180598 557119930 /nfs/dbraw/zinc/11/99/30/557119930.db2.gz NEHWRFJBDWZQEA-DHDCSXOGSA-N -1 3 437.258 4.233 50 0 IIAAHM Cc1sc2nc(C)nc(S[C@H](C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)c2c1C ZINC000024074005 557135457 /nfs/dbraw/zinc/13/54/57/557135457.db2.gz RWTGFFRKOOYQEF-GFCCVEGCSA-N -1 3 435.596 4.352 50 0 IIAAHM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccc(Br)c(F)c1 ZINC000095067972 557156172 /nfs/dbraw/zinc/15/61/72/557156172.db2.gz DGGYTYSKMLLBSH-UHFFFAOYSA-N -1 3 427.064 4.291 50 0 IIAAHM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccc(Br)cc1F ZINC000096171004 557182270 /nfs/dbraw/zinc/18/22/70/557182270.db2.gz FRMBKVBPNAGTLD-UHFFFAOYSA-N -1 3 427.064 4.291 50 0 IIAAHM CCN(CC)[C@H](CN1CCN(C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000096316552 557198505 /nfs/dbraw/zinc/19/85/05/557198505.db2.gz OLQANDAZOREQMH-CJFMBICVSA-N -1 3 441.591 4.051 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c(C)c1 ZINC000102288925 557317804 /nfs/dbraw/zinc/31/78/04/557317804.db2.gz AOFKQUNWWSNRQL-PMACEKPBSA-N -1 3 440.565 4.088 50 0 IIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2C)c1 ZINC000102763231 557380890 /nfs/dbraw/zinc/38/08/90/557380890.db2.gz VFKCYELEJVTKDB-TZRRMPRUSA-N -1 3 428.488 4.363 50 0 IIAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1cc(C)ccc1C)c1nc(C)cs1 ZINC000103076360 557418308 /nfs/dbraw/zinc/41/83/08/557418308.db2.gz UTHAFIOTCBEYRO-GOSISDBHSA-N -1 3 429.567 4.262 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccc(Cl)c2)[C@@H](c2ccco2)C1 ZINC000225516064 557733529 /nfs/dbraw/zinc/73/35/29/557733529.db2.gz YACPJNLTQWOMEU-LJQANCHMSA-N -1 3 443.912 4.296 50 0 IIAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000229987688 557834805 /nfs/dbraw/zinc/83/48/05/557834805.db2.gz IOKLKWPWAMGOPM-RBZQAINGSA-N -1 3 443.503 4.312 50 0 IIAAHM Cc1ccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2cccs2)s1 ZINC000241961348 557847242 /nfs/dbraw/zinc/84/72/42/557847242.db2.gz URQAEGACZQTDDW-QGZVFWFLSA-N -1 3 445.591 4.481 50 0 IIAAHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]CCc3ccccc3)c2)cc1F ZINC000003022976 562931730 /nfs/dbraw/zinc/93/17/30/562931730.db2.gz RHRHLYFTMKRKRR-UHFFFAOYSA-N -1 3 430.476 4.047 50 0 IIAAHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000008591675 562952096 /nfs/dbraw/zinc/95/20/96/562952096.db2.gz LSFGOMAMAPUJLC-SFHVURJKSA-N -1 3 434.970 4.238 50 0 IIAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1C ZINC000008609812 562957923 /nfs/dbraw/zinc/95/79/23/562957923.db2.gz HCCLWINFIXPYRI-UHFFFAOYSA-N -1 3 438.553 4.170 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)CCC3CCCC3)c2)cc1 ZINC000008685528 562962545 /nfs/dbraw/zinc/96/25/45/562962545.db2.gz RNBJHTQJMIMQOJ-UHFFFAOYSA-N -1 3 432.542 4.414 50 0 IIAAHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1[O-] ZINC000001008279 568650766 /nfs/dbraw/zinc/65/07/66/568650766.db2.gz GIKDUOJRUFZKBU-LICLKQGHSA-N -1 3 446.912 4.428 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccncc3)cc2)cc1 ZINC000006038849 568740419 /nfs/dbraw/zinc/74/04/19/568740419.db2.gz QIHMACIJXZOLPM-UHFFFAOYSA-N -1 3 443.550 4.012 50 0 IIAAHM Cc1ccn([C@H](C)c2n[n-]c(=S)n2-c2cnn(Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000002808496 568789460 /nfs/dbraw/zinc/78/94/60/568789460.db2.gz DSIBRURPFIBVMN-GFCCVEGCSA-N -1 3 434.356 4.222 50 0 IIAAHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)CS4)cc2)CC1 ZINC000015731211 568814572 /nfs/dbraw/zinc/81/45/72/568814572.db2.gz NPWVBXQAOLOALE-INIZCTEOSA-N -1 3 445.610 4.404 50 0 IIAAHM O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc(Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000016531344 568920566 /nfs/dbraw/zinc/92/05/66/568920566.db2.gz ZBXOSKOHZWNLRI-UHFFFAOYSA-N -1 3 446.404 4.109 50 0 IIAAHM COc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000252476731 568923196 /nfs/dbraw/zinc/92/31/96/568923196.db2.gz ALQNRGIBURCXGH-UHFFFAOYSA-N -1 3 434.283 4.226 50 0 IIAAHM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c(C)n2C)n1 ZINC000064668230 568943152 /nfs/dbraw/zinc/94/31/52/568943152.db2.gz JHUNHXYYOVSTPR-UHFFFAOYSA-N -1 3 444.351 4.468 50 0 IIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)cc1 ZINC000064801824 568961442 /nfs/dbraw/zinc/96/14/42/568961442.db2.gz BTIKDCWLNZPSMA-UHFFFAOYSA-N -1 3 437.569 4.492 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c(C)c1 ZINC000065020925 569088707 /nfs/dbraw/zinc/08/87/07/569088707.db2.gz XKISJDURGMMEDO-UHFFFAOYSA-N -1 3 429.586 4.286 50 0 IIAAHM CCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063352 569097839 /nfs/dbraw/zinc/09/78/39/569097839.db2.gz CLCAZEDGQSORNL-UHFFFAOYSA-N -1 3 443.500 4.344 50 0 IIAAHM CCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000065074555 569099024 /nfs/dbraw/zinc/09/90/24/569099024.db2.gz BGCYNUMTYQQHRV-UHFFFAOYSA-N -1 3 425.510 4.041 50 0 IIAAHM O=S(=O)([N-]Cc1ccc(F)cc1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098100 569104581 /nfs/dbraw/zinc/10/45/81/569104581.db2.gz CZULAEGSJINBQS-UHFFFAOYSA-N -1 3 433.461 4.222 50 0 IIAAHM CC(C)Cn1cc(CC[N-]S(=O)(=O)c2ccc(Br)s2)c2cccnc21 ZINC000065163314 569112455 /nfs/dbraw/zinc/11/24/55/569112455.db2.gz ILGOMACYVGCUCJ-UHFFFAOYSA-N -1 3 442.404 4.037 50 0 IIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)cc1 ZINC000036705807 569134603 /nfs/dbraw/zinc/13/46/03/569134603.db2.gz XNDZPKLBTDWCQV-UHFFFAOYSA-N -1 3 434.525 4.078 50 0 IIAAHM Cc1c(Br)cc(-c2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)c(=O)n1C ZINC000170596405 569141943 /nfs/dbraw/zinc/14/19/43/569141943.db2.gz JNKKKXAANGUUAX-UHFFFAOYSA-N -1 3 446.301 4.227 50 0 IIAAHM Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000170623268 569148295 /nfs/dbraw/zinc/14/82/95/569148295.db2.gz OVWQHICOYDJQAJ-UHFFFAOYSA-N -1 3 426.542 4.084 50 0 IIAAHM COc1cccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)c1OC ZINC000027528025 569263462 /nfs/dbraw/zinc/26/34/62/569263462.db2.gz PFKFYKKJERFLBG-UHFFFAOYSA-N -1 3 435.867 4.118 50 0 IIAAHM CCC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2C[C@H]1C ZINC000020209163 569356079 /nfs/dbraw/zinc/35/60/79/569356079.db2.gz DZUXENBPIRERFS-GFCCVEGCSA-N -1 3 428.432 4.074 50 0 IIAAHM COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000095475980 569372836 /nfs/dbraw/zinc/37/28/36/569372836.db2.gz PCKIXFWSKBWUIB-MRXNPFEDSA-N -1 3 448.443 4.317 50 0 IIAAHM COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000095480901 569374083 /nfs/dbraw/zinc/37/40/83/569374083.db2.gz ARVSLQMWOYHKDU-OAHLLOKOSA-N -1 3 433.432 4.006 50 0 IIAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1cccc(OC(F)F)c1)SCC(=O)N2 ZINC000096116985 569383902 /nfs/dbraw/zinc/38/39/02/569383902.db2.gz IHWYKGHTAYDATJ-OAHLLOKOSA-N -1 3 427.498 4.033 50 0 IIAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1cccc(Cl)c1)C3 ZINC000096326904 569396310 /nfs/dbraw/zinc/39/63/10/569396310.db2.gz XTHBKEMQOGYQMW-UHFFFAOYSA-N -1 3 432.307 4.253 50 0 IIAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1c2c(nc3ccccc31)CCC2 ZINC000002643318 569413856 /nfs/dbraw/zinc/41/38/56/569413856.db2.gz ZAIFZQUXYMYMSD-UHFFFAOYSA-N -1 3 431.517 4.257 50 0 IIAAHM Cc1cccc(C)c1N1C(=O)C[C@@H](Sc2nnc([N-]c3ccccc3F)s2)C1=O ZINC000003311719 569445540 /nfs/dbraw/zinc/44/55/40/569445540.db2.gz FDNCZDMWUOAJRZ-OAHLLOKOSA-N -1 3 428.514 4.462 50 0 IIAAHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4ccco4)n3CC(C)C)nc(=O)c2c1C ZINC000003533971 569453487 /nfs/dbraw/zinc/45/34/87/569453487.db2.gz JEDQYSOFPOWTSM-UHFFFAOYSA-N -1 3 443.554 4.295 50 0 IIAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)n1 ZINC000040122449 569489631 /nfs/dbraw/zinc/48/96/31/569489631.db2.gz QREMXDLXGYXOCR-UHFFFAOYSA-N -1 3 432.455 4.365 50 0 IIAAHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000008965619 569491475 /nfs/dbraw/zinc/49/14/75/569491475.db2.gz MWWYATVNEQNGCV-GFCCVEGCSA-N -1 3 449.985 4.224 50 0 IIAAHM Cc1cc(OCc2nc(S[C@H](C(=O)NC3CC3)c3ccccc3)n[n-]2)ccc1Cl ZINC000009155615 569508300 /nfs/dbraw/zinc/50/83/00/569508300.db2.gz NBXVAYURVKEWAZ-IBGZPJMESA-N -1 3 428.945 4.458 50 0 IIAAHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)Nc1nc2ccccc2s1 ZINC000009369165 569526713 /nfs/dbraw/zinc/52/67/13/569526713.db2.gz MWTIDASQUHZIBR-UHFFFAOYSA-N -1 3 433.565 4.192 50 0 IIAAHM Cc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000009495552 569541083 /nfs/dbraw/zinc/54/10/83/569541083.db2.gz JGWDOVXRZONVED-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 IIAAHM Cc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000009495552 569541084 /nfs/dbraw/zinc/54/10/84/569541084.db2.gz JGWDOVXRZONVED-UHFFFAOYSA-N -1 3 439.928 4.110 50 0 IIAAHM Cc1ccc(-c2cc([N-]C(=O)COC(=O)c3ccccc3NC(=O)c3ccco3)on2)cc1 ZINC000009497191 569541292 /nfs/dbraw/zinc/54/12/92/569541292.db2.gz MVAPQETWANXXHP-UHFFFAOYSA-N -1 3 445.431 4.291 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)cc1 ZINC000009572643 569547814 /nfs/dbraw/zinc/54/78/14/569547814.db2.gz GCWIKFMTLCNYMW-UHFFFAOYSA-N -1 3 437.473 4.278 50 0 IIAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000009833283 569570351 /nfs/dbraw/zinc/57/03/51/569570351.db2.gz JVYQWVMVTZENHQ-UHFFFAOYSA-N -1 3 446.319 4.146 50 0 IIAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000009833283 569570352 /nfs/dbraw/zinc/57/03/52/569570352.db2.gz JVYQWVMVTZENHQ-UHFFFAOYSA-N -1 3 446.319 4.146 50 0 IIAAHM COc1cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc(Br)c1[O-] ZINC000009849607 569571344 /nfs/dbraw/zinc/57/13/44/569571344.db2.gz FOLAMZAZECIHAQ-UHFFFAOYSA-N -1 3 447.373 4.000 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)Cc1cccc(F)c1 ZINC000009950067 569574354 /nfs/dbraw/zinc/57/43/54/569574354.db2.gz OQSOCZPTEKHCGE-UHFFFAOYSA-N -1 3 430.476 4.346 50 0 IIAAHM O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000013570363 132350585 /nfs/dbraw/zinc/35/05/85/132350585.db2.gz NIKUGJVITFGFGE-UHFFFAOYSA-N -1 3 426.973 4.038 50 0 IIAAHM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3C)c2)nn1 ZINC000020604346 520810369 /nfs/dbraw/zinc/81/03/69/520810369.db2.gz NHTCFLVZCNVJTF-UHFFFAOYSA-N -1 3 427.526 4.277 50 0 IIAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000012816118 523279605 /nfs/dbraw/zinc/27/96/05/523279605.db2.gz ZKCMLYMVLSARMG-LLVKDONJSA-N -1 3 427.853 4.003 50 0 IIAAHM CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000012888677 523305189 /nfs/dbraw/zinc/30/51/89/523305189.db2.gz SQVJFSIREVDFIK-UHFFFAOYSA-N -1 3 447.771 4.360 50 0 IIAAHM CCc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000021716223 523974449 /nfs/dbraw/zinc/97/44/49/523974449.db2.gz XABQLHJMIPNNOU-UHFFFAOYSA-N -1 3 439.928 4.468 50 0 IIAAHM CCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc1 ZINC000020467732 523974489 /nfs/dbraw/zinc/97/44/89/523974489.db2.gz WGTADLRPDXTVDL-UHFFFAOYSA-N -1 3 434.565 4.034 50 0 IIAAHM Cc1cccc(CN2CCN(Cc3nc(=O)c4c(-c5ccc(F)cc5)csc4[n-]3)CC2)c1 ZINC000022834579 524400081 /nfs/dbraw/zinc/40/00/81/524400081.db2.gz OUMYQMWDIOAANG-UHFFFAOYSA-N -1 3 448.567 4.417 50 0 IIAAHM Cc1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(CCc2ccccc2)CC3)c1C ZINC000020467803 524602536 /nfs/dbraw/zinc/60/25/36/524602536.db2.gz QUDAIVBMFCCTPM-UHFFFAOYSA-N -1 3 448.592 4.131 50 0 IIAAHM C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([O-])c(I)c2)N3)C1 ZINC000017086072 524725456 /nfs/dbraw/zinc/72/54/56/524725456.db2.gz POGOJDTWZSTBKT-GLEZIHRCSA-N -1 3 440.306 4.037 50 0 IIAAHM Cc1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000017135947 525239918 /nfs/dbraw/zinc/23/99/18/525239918.db2.gz WTKAAHCILNLBFC-UHFFFAOYSA-N -1 3 425.901 4.214 50 0 IIAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4cccc5ccccc54)CC3)c2c1 ZINC000020738596 525494271 /nfs/dbraw/zinc/49/42/71/525494271.db2.gz FOQSFQXQVVFSFM-VWLOTQADSA-N -1 3 429.520 4.273 50 0 IIAAHM CSc1ccccc1NC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000012784280 526173361 /nfs/dbraw/zinc/17/33/61/526173361.db2.gz 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ZINC000001120520 555637324 /nfs/dbraw/zinc/63/73/24/555637324.db2.gz BDGYJPJPVNBXJE-UHFFFAOYSA-N -1 3 441.578 4.025 50 0 IIAAHM O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)[N-]C2CCCCC2)c1 ZINC000001229622 555686196 /nfs/dbraw/zinc/68/61/96/555686196.db2.gz DYJRCJNPTSEYSY-UHFFFAOYSA-N -1 3 437.359 4.312 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1ccc(F)c(F)c1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138676 555891478 /nfs/dbraw/zinc/89/14/78/555891478.db2.gz PIWBCEJLKCCRRV-QGZVFWFLSA-N -1 3 436.764 4.282 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000003362109 555927009 /nfs/dbraw/zinc/92/70/09/555927009.db2.gz IZJQZKNAFJSNKB-UHFFFAOYSA-N -1 3 426.494 4.147 50 0 IIAAHM O=C([N-]c1nnc(S(=O)(=O)Cc2ccccc2F)s1)c1ccc(Cl)cc1Cl ZINC000009134693 556248844 /nfs/dbraw/zinc/24/88/44/556248844.db2.gz NZNXLGZPCJJFBM-UHFFFAOYSA-N -1 3 446.312 4.210 50 0 IIAAHM CC(=O)c1cc2c(cc1NC(=O)CSc1nnc([N-]c3ccccc3F)s1)OCO2 ZINC000013135360 556483433 /nfs/dbraw/zinc/48/34/33/556483433.db2.gz PHMIDQPNPBFHDO-UHFFFAOYSA-N -1 3 446.485 4.083 50 0 IIAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)ccc1Cl ZINC000072300908 556523613 /nfs/dbraw/zinc/52/36/13/556523613.db2.gz QCAUZBMOPNSWCR-AWEZNQCLSA-N -1 3 428.904 4.124 50 0 IIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)cc1 ZINC000033274601 556558694 /nfs/dbraw/zinc/55/86/94/556558694.db2.gz OGXYFRUINBMTDY-UHFFFAOYSA-N -1 3 448.588 4.440 50 0 IIAAHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000071949427 556688983 /nfs/dbraw/zinc/68/89/83/556688983.db2.gz WWXNADLOQOJIMH-UHFFFAOYSA-N -1 3 428.168 4.026 50 0 IIAAHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000071949427 556688985 /nfs/dbraw/zinc/68/89/85/556688985.db2.gz WWXNADLOQOJIMH-UHFFFAOYSA-N -1 3 428.168 4.026 50 0 IIAAHM Cc1nc(-c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Br)c2)no1 ZINC000033077014 556854391 /nfs/dbraw/zinc/85/43/91/556854391.db2.gz WHGNMTQYWKSMNU-UHFFFAOYSA-N -1 3 428.695 4.262 50 0 IIAAHM O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097112631 556989538 /nfs/dbraw/zinc/98/95/38/556989538.db2.gz AXHFDKKXFVDPGU-UHFFFAOYSA-N -1 3 432.377 4.185 50 0 IIAAHM Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000023139833 557022355 /nfs/dbraw/zinc/02/23/55/557022355.db2.gz IKKZPAKNIDFPND-UHFFFAOYSA-N -1 3 427.526 4.280 50 0 IIAAHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000024687339 557158839 /nfs/dbraw/zinc/15/88/39/557158839.db2.gz YLOSJNUVWQMFEI-UHFFFAOYSA-N -1 3 429.851 4.082 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000024891391 557177359 /nfs/dbraw/zinc/17/73/59/557177359.db2.gz HDLWIXRYUKKJIS-UHFFFAOYSA-N -1 3 430.913 4.396 50 0 IIAAHM CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000100736579 557272919 /nfs/dbraw/zinc/27/29/19/557272919.db2.gz APDVGRBZNXOVEU-LLGFUMIMSA-N -1 3 438.421 4.227 50 0 IIAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4cccc(Cl)c4)c(=O)c2-3)cc1 ZINC000101361455 557276966 /nfs/dbraw/zinc/27/69/66/557276966.db2.gz IPKXEGBMKUGFHF-RBBKRZOGSA-N -1 3 431.879 4.131 50 0 IIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)c1 ZINC000101879390 557296296 /nfs/dbraw/zinc/29/62/96/557296296.db2.gz ZAYSVDYPHSILKN-SLFFLAALSA-N -1 3 440.908 4.461 50 0 IIAAHM CCCn1c(=O)[n-]nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000018524044 557829371 /nfs/dbraw/zinc/82/93/71/557829371.db2.gz VAEGUHFCOSCDPC-UHFFFAOYSA-N -1 3 443.495 4.134 50 0 IIAAHM O=S(=O)([N-]C[C@H](c1ccc(F)cc1F)N1CCCC1)c1cc(Cl)ccc1Cl ZINC000238950234 557842240 /nfs/dbraw/zinc/84/22/40/557842240.db2.gz XGSIEJKLFVQFRL-QGZVFWFLSA-N -1 3 435.323 4.387 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1 ZINC000008610066 562958112 /nfs/dbraw/zinc/95/81/12/562958112.db2.gz DOIAFQYDNCRFNI-UHFFFAOYSA-N -1 3 438.553 4.333 50 0 aggregator IIAAHM C[C@@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015563893 568798324 /nfs/dbraw/zinc/79/83/24/568798324.db2.gz QWPVNGODFVKRNS-KRWDZBQOSA-N -1 3 426.513 4.378 50 0 IIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c(C)c1 ZINC000015730523 568814111 /nfs/dbraw/zinc/81/41/11/568814111.db2.gz SSFXOVIJHVNELL-HNNXBMFYSA-N -1 3 433.599 4.465 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccccc3Cl)cc2)S1 ZINC000015832892 568842145 /nfs/dbraw/zinc/84/21/45/568842145.db2.gz KQWPYRCPOJBXRU-FQEVSTJZSA-N -1 3 447.944 4.189 50 0 IIAAHM Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc([N-]S(C)(=O)=O)c2)c2ccc(C)cc2)cc1 ZINC000006144168 568846077 /nfs/dbraw/zinc/84/60/77/568846077.db2.gz PQLDIAQNANTQEF-QHCPKHFHSA-N -1 3 437.517 4.456 50 0 IIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c1 ZINC000239432822 568911495 /nfs/dbraw/zinc/91/14/95/568911495.db2.gz WOETXSICZKRVLL-YPAWHYETSA-N -1 3 434.879 4.400 50 0 IIAAHM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000245311676 568914488 /nfs/dbraw/zinc/91/44/88/568914488.db2.gz PYZFNPKDFMBVOX-NJYVYQBISA-N -1 3 448.862 4.089 50 0 IIAAHM COc1cccc(Cc2nc3c(c(=O)[n-]2)CN(C(=O)Nc2cccc4ccccc42)CC3)c1 ZINC000016531319 568920612 /nfs/dbraw/zinc/92/06/12/568920612.db2.gz QWUROZMIUDKKFA-UHFFFAOYSA-N -1 3 440.503 4.113 50 0 IIAAHM COc1ccccc1-c1csc2[n-]c(CN(C[C@@H](O)c3ccccc3)C3CC3)nc(=O)c12 ZINC000036206561 568973160 /nfs/dbraw/zinc/97/31/60/568973160.db2.gz UHFKUCUKDDPMKF-HXUWFJFHSA-N -1 3 447.560 4.358 50 0 IIAAHM Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc43)CC2)c1C ZINC000036360969 569086649 /nfs/dbraw/zinc/08/66/49/569086649.db2.gz FLPRENHRXRTBEH-XMMPIXPASA-N -1 3 448.567 4.327 50 0 IIAAHM CC[C@@H](C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000065063611 569098106 /nfs/dbraw/zinc/09/81/06/569098106.db2.gz FIUYPJLOGBHQDC-OAHLLOKOSA-N -1 3 443.500 4.342 50 0 IIAAHM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)nc3ccccc3n12 ZINC000065096431 569103512 /nfs/dbraw/zinc/10/35/12/569103512.db2.gz 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CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2cccc(F)c2)C1 ZINC000096012489 569380070 /nfs/dbraw/zinc/38/00/70/569380070.db2.gz OVEKLDBQNSKECO-LJQANCHMSA-N -1 3 443.525 4.250 50 0 IIAAHM Cc1cccc2cc([C@H]3SC(C)=Nc4c3c(=O)[n-]n4[C@H]3CCOC(C)(C)C3)c(=O)[nH]c12 ZINC000096117404 569384115 /nfs/dbraw/zinc/38/41/15/569384115.db2.gz RZMRARGSWYRBCO-HNAYVOBHSA-N -1 3 438.553 4.343 50 0 IIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(OC(F)F)c2)CCO1 ZINC000096117869 569384281 /nfs/dbraw/zinc/38/42/81/569384281.db2.gz BTSMELNPFURBIT-WBMJQRKESA-N -1 3 439.484 4.095 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1Cl ZINC000096399472 569400090 /nfs/dbraw/zinc/40/00/90/569400090.db2.gz LBHFQLVEDCIHCW-UHFFFAOYSA-N -1 3 441.987 4.360 50 0 IIAAHM CCN(C(=O)Nc1cccc(Cl)c1)c1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000004015600 569458136 /nfs/dbraw/zinc/45/81/36/569458136.db2.gz IJMLSPNSYOZUGY-SFHVURJKSA-N -1 3 430.810 4.321 50 0 IIAAHM 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3 439.375 4.477 50 0 IIAAHM CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022798447 521695347 /nfs/dbraw/zinc/69/53/47/521695347.db2.gz OWEDDPSLTSGTKW-KRWDZBQOSA-N -1 3 443.960 4.137 50 0 IIAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000012552005 521700308 /nfs/dbraw/zinc/70/03/08/521700308.db2.gz SBLIZTHPZLLDSC-UHFFFAOYSA-N -1 3 447.910 4.302 50 0 IIAAHM CCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN([C@@H](C)c2ccccc2)CC3)cc1 ZINC000020467797 523974167 /nfs/dbraw/zinc/97/41/67/523974167.db2.gz SXRMZFHVKYFOMZ-KRWDZBQOSA-N -1 3 448.592 4.182 50 0 IIAAHM Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(C)C ZINC000012543311 525062671 /nfs/dbraw/zinc/06/26/71/525062671.db2.gz LVJIZYNVZOGYNF-HRNYAPDYSA-N -1 3 441.597 4.149 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 ZINC000021292847 525299962 /nfs/dbraw/zinc/29/99/62/525299962.db2.gz XXXNQVWNJSXLQW-UHFFFAOYSA-N -1 3 428.539 4.085 50 0 IIAAHM 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CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016590139 556616747 /nfs/dbraw/zinc/61/67/47/556616747.db2.gz BXIUDOZFXBCYEA-UHFFFAOYSA-N -1 3 434.414 4.075 50 0 IIAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)sc2c1CCCC2 ZINC000011915982 556673060 /nfs/dbraw/zinc/67/30/60/556673060.db2.gz FAAGLDLCAQPKTJ-UHFFFAOYSA-N -1 3 440.477 4.092 50 0 IIAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)c1 ZINC000046075610 557032540 /nfs/dbraw/zinc/03/25/40/557032540.db2.gz JOIOBJCNDOGCDV-GOSISDBHSA-N -1 3 448.548 4.052 50 0 IIAAHM COc1ccccc1CN1CCc2nc(SCc3cc(F)cc(F)c3)[n-]c(=O)c2C1 ZINC000033287274 557064332 /nfs/dbraw/zinc/06/43/32/557064332.db2.gz BZVSXTVOMGKQNG-UHFFFAOYSA-N -1 3 429.492 4.320 50 0 IIAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-][C@@H](C)c3ccc(OC)c(OC)c3)s2)n1 ZINC000033310138 557093372 /nfs/dbraw/zinc/09/33/72/557093372.db2.gz MKMAVZCVMXILEE-LBPRGKRZSA-N -1 3 438.596 4.491 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c(C)c1 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IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CC4)cn3)cc2)c(C)c1 ZINC000065063502 569097559 /nfs/dbraw/zinc/09/75/59/569097559.db2.gz OSEDJBBIKGTSEE-UHFFFAOYSA-N -1 3 437.521 4.184 50 0 IIAAHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000170624405 569148032 /nfs/dbraw/zinc/14/80/32/569148032.db2.gz YHPHGRYDDHROCS-UHFFFAOYSA-N -1 3 439.302 4.468 50 0 IIAAHM Cc1ccccc1-c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c2cnn(C(C)C)c2n1 ZINC000089696876 569161381 /nfs/dbraw/zinc/16/13/81/569161381.db2.gz MYWLWAKPJIVMPG-UHFFFAOYSA-N -1 3 438.495 4.420 50 0 IIAAHM Cc1ccccc1-c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c2cnn(C(C)C)c2n1 ZINC000089696876 569161382 /nfs/dbraw/zinc/16/13/82/569161382.db2.gz MYWLWAKPJIVMPG-UHFFFAOYSA-N -1 3 438.495 4.420 50 0 IIAAHM CCCc1ccc([C@H](NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c2cccs2)cc1 ZINC000089960453 569168936 /nfs/dbraw/zinc/16/89/36/569168936.db2.gz GRZITYBQZWAXEH-OFVILXPXSA-N -1 3 447.560 4.275 50 0 IIAAHM 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OHLCUHAXUSHEMQ-UHFFFAOYSA-N -1 3 449.483 4.128 50 0 IIAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)N1CCc2ccccc21 ZINC000001051608 555613281 /nfs/dbraw/zinc/61/32/81/555613281.db2.gz GFWBAQDQJQITBG-UHFFFAOYSA-N -1 3 428.517 4.321 50 0 IIAAHM O=C(/C=C/c1ccccc1)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002905354 555861269 /nfs/dbraw/zinc/86/12/69/555861269.db2.gz HBUKBRDASJYJQI-SIFUEBAJSA-N -1 3 444.771 4.205 50 0 IIAAHM C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC(F)F)ccc21 ZINC000003585048 555940166 /nfs/dbraw/zinc/94/01/66/555940166.db2.gz NJDRXTDGYFKORP-LLVKDONJSA-N -1 3 426.419 4.467 50 0 investigational IIAAHM CCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)c1 ZINC000009243119 556266634 /nfs/dbraw/zinc/26/66/34/556266634.db2.gz OYVJHGHEYHSIPF-QFIPXVFZSA-N -1 3 441.915 4.070 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3cccc(OC)c3)cc2)cc1 ZINC000013936369 556336374 /nfs/dbraw/zinc/33/63/74/556336374.db2.gz QBOJZKTYQFIHFQ-UHFFFAOYSA-N -1 3 443.550 4.314 50 0 IIAAHM O=C(NCc1ccccc1F)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000014240401 556400954 /nfs/dbraw/zinc/40/09/54/556400954.db2.gz DQPDTFNXUMDSOE-UHFFFAOYSA-N -1 3 436.867 4.349 50 0 IIAAHM O=S(=O)([N-]c1ccc(Br)cc1Br)c1ccc(F)c(F)c1 ZINC000014255128 556410673 /nfs/dbraw/zinc/41/06/73/556410673.db2.gz WTLITXGTKMGMDL-UHFFFAOYSA-N -1 3 427.064 4.291 50 0 IIAAHM Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000032671891 556414449 /nfs/dbraw/zinc/41/44/49/556414449.db2.gz QFYLFHGPFWGCIY-CYBMUJFWSA-N -1 3 448.595 4.325 50 0 IIAAHM O=C([C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1)N1CCCCC1 ZINC000012979758 556423866 /nfs/dbraw/zinc/42/38/66/556423866.db2.gz DBHZQVYOTTZIDZ-HXUWFJFHSA-N -1 3 445.548 4.367 50 0 IIAAHM O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000013102770 556461360 /nfs/dbraw/zinc/46/13/60/556461360.db2.gz BPUSEHYRTHNJFB-UHFFFAOYSA-N -1 3 437.496 4.080 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)c(C)c1 ZINC000029871943 556484884 /nfs/dbraw/zinc/48/48/84/556484884.db2.gz NTHGFHAWDSNNAK-UHFFFAOYSA-N -1 3 432.496 4.367 50 0 IIAAHM O=c1nc(CN(Cc2cccs2)C[C@H]2CCCO2)[n-]c2scc(-c3ccco3)c21 ZINC000013164052 556495383 /nfs/dbraw/zinc/49/53/83/556495383.db2.gz DCHRZMDNAZDHOQ-CQSZACIVSA-N -1 3 427.551 4.487 50 0 IIAAHM O=c1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)[n-]c2scc(-c3ccco3)c21 ZINC000013164051 556495474 /nfs/dbraw/zinc/49/54/74/556495474.db2.gz DCHRZMDNAZDHOQ-AWEZNQCLSA-N -1 3 427.551 4.487 50 0 IIAAHM CC1(C)OC(c2cccc([N-]S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)c2)OC1(C)C ZINC000030947882 556517683 /nfs/dbraw/zinc/51/76/83/556517683.db2.gz VJWWFNIRYJUKJQ-WAIKUNEKSA-N -1 3 435.586 4.426 50 0 IIAAHM COc1ccc(Sc2nsc([N-]C(=O)c3ccn(-c4ccc(OC)cc4)n3)n2)cc1 ZINC000072310547 556576405 /nfs/dbraw/zinc/57/64/05/556576405.db2.gz XTMQBKBXBFNOKG-UHFFFAOYSA-N -1 3 439.522 4.145 50 0 IIAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000016346681 556601602 /nfs/dbraw/zinc/60/16/02/556601602.db2.gz HCYLRKPOSGEQKG-UHFFFAOYSA-N -1 3 447.896 4.485 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000017098606 556663471 /nfs/dbraw/zinc/66/34/71/556663471.db2.gz IUCRBKDKMRSVOS-HZPDHXFCSA-N -1 3 433.599 4.456 50 0 IIAAHM COc1cc(C=C2C(=O)N(c3ccc(C(C)=O)cc3)N=C2C)cc(Br)c1[O-] ZINC000003864103 556818410 /nfs/dbraw/zinc/81/84/10/556818410.db2.gz LZTSSQPOQPPQPD-LZYBPNLTSA-N -1 3 429.270 4.172 50 0 IIAAHM Cc1nn(-c2ccc(F)cc2)c2c1C(=C([O-])c1ccc(Br)cc1)CC(=O)N2 ZINC000046057656 557029106 /nfs/dbraw/zinc/02/91/06/557029106.db2.gz NGSQCWPIBNPZHB-MRXNPFEDSA-N -1 3 428.261 4.391 50 0 IIAAHM Cc1ccccc1C(=O)N1CCC(c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)CC1 ZINC000033272985 557053266 /nfs/dbraw/zinc/05/32/66/557053266.db2.gz RNFOWICAMJCIKA-UHFFFAOYSA-N -1 3 442.491 4.397 50 0 IIAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]C2CCC(C)CC2)s1 ZINC000033306552 557085434 /nfs/dbraw/zinc/08/54/34/557085434.db2.gz ZWCMERNPNAZSPY-PKNBQFBNSA-N -1 3 437.587 4.420 50 0 IIAAHM Cc1ccc(-n2ncc3c2nc(SCc2ccc(Br)cc2)[n-]c3=O)cc1 ZINC000011363973 557113984 /nfs/dbraw/zinc/11/39/84/557113984.db2.gz KSGJZUTYKPVIFS-UHFFFAOYSA-N -1 3 427.327 4.472 50 0 IIAAHM Cc1cc(C)c([N-]c2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)s2)c(Cl)c1 ZINC000025858020 557228752 /nfs/dbraw/zinc/22/87/52/557228752.db2.gz MCJBKBXCGULFDI-JTQLQIEISA-N -1 3 436.998 4.238 50 0 IIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018032083 557230714 /nfs/dbraw/zinc/23/07/14/557230714.db2.gz OJWSVBCPLATMAB-VSKRKVRLSA-N -1 3 434.879 4.400 50 0 IIAAHM COC(=O)c1ccc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4ccc(OC)cc4)CC(=O)C32)cc1 ZINC000102736566 557368884 /nfs/dbraw/zinc/36/88/84/557368884.db2.gz SCDRCHGTGDHOQO-IERDGZPVSA-N -1 3 446.463 4.494 50 0 IIAAHM COc1cc(OC)c([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc1OC ZINC000102750350 557382543 /nfs/dbraw/zinc/38/25/43/557382543.db2.gz LXEUJDXWEIOABN-YBTHPKLGSA-N -1 3 438.440 4.317 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1Br ZINC000024102197 557395960 /nfs/dbraw/zinc/39/59/60/557395960.db2.gz DQJFHCITINZGMP-UHFFFAOYSA-N -1 3 440.315 4.300 50 0 IIAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(F)cc1F ZINC000040152691 557704576 /nfs/dbraw/zinc/70/45/76/557704576.db2.gz AYJFMXDNHWCXJB-UHFFFAOYSA-N -1 3 430.432 4.197 50 0 IIAAHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc([O-])cc2I)cc1 ZINC000225434561 557722551 /nfs/dbraw/zinc/72/25/51/557722551.db2.gz AQLYTMNCAGXIEG-JTQLQIEISA-N -1 3 429.279 4.125 50 0 IIAAHM O=C(N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003130610 557842162 /nfs/dbraw/zinc/84/21/62/557842162.db2.gz XYDOBODYRMXZKS-CQSZACIVSA-N -1 3 448.759 4.301 50 0 IIAAHM C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)Nc1cccc(F)c1 ZINC000025052666 557857066 /nfs/dbraw/zinc/85/70/66/557857066.db2.gz ZUCWWUHMRCEVSP-NSHDSACASA-N -1 3 443.891 4.433 50 0 IIAAHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948360 568629092 /nfs/dbraw/zinc/62/90/92/568629092.db2.gz JNYWXVXSTVBRKT-UHFFFAOYSA-N -1 3 431.448 4.121 50 0 IIAAHM Cc1sc2[n-]c(Cn3cc(C(F)(F)F)ccc3=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000031625325 568741161 /nfs/dbraw/zinc/74/11/61/568741161.db2.gz MVYLPPONVLVIOC-UHFFFAOYSA-N -1 3 431.439 4.497 50 0 IIAAHM O=C(Nc1cccc(Br)c1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000001307781 568779253 /nfs/dbraw/zinc/77/92/53/568779253.db2.gz GPOABBLIVTXRFD-UHFFFAOYSA-N -1 3 443.297 4.089 50 0 IIAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000084026659 568789857 /nfs/dbraw/zinc/78/98/57/568789857.db2.gz MOXRMNIHFSIAEP-KRWDZBQOSA-N -1 3 439.306 4.261 50 0 IIAAHM O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1c[n-]c2ccccc2c1=O ZINC000084585405 568799025 /nfs/dbraw/zinc/79/90/25/568799025.db2.gz OVYNKHKMROJRLK-UHFFFAOYSA-N -1 3 431.319 4.313 50 0 IIAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000011582344 568818282 /nfs/dbraw/zinc/81/82/82/568818282.db2.gz KHWAVBYANPTJJF-BDTNDASRSA-N -1 3 434.879 4.400 50 0 IIAAHM COC(=O)C[C@H](c1cccc(O)c1)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000085878293 568838722 /nfs/dbraw/zinc/83/87/22/568838722.db2.gz UPRLPYYOGCMLLC-QGZVFWFLSA-N -1 3 442.489 4.047 50 0 biogenic IIAAHM O=C(Nc1ccccc1[O-])c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000006144256 568846089 /nfs/dbraw/zinc/84/60/89/568846089.db2.gz DQYZDGHFAMFPDU-UHFFFAOYSA-N -1 3 447.878 4.076 50 0 IIAAHM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)c(Cl)c1 ZINC000013012952 568901262 /nfs/dbraw/zinc/90/12/62/568901262.db2.gz RZYZBPXKRXGBGS-AWEZNQCLSA-N -1 3 443.352 4.011 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000026954701 568927676 /nfs/dbraw/zinc/92/76/76/568927676.db2.gz GVDVGDRHNSJACW-LICLKQGHSA-N -1 3 428.554 4.300 50 0 IIAAHM COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000027063423 568940816 /nfs/dbraw/zinc/94/08/16/568940816.db2.gz IQETWTAVZLCOJV-UHFFFAOYSA-N -1 3 440.496 4.228 50 0 IIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1c2ccccc2nc1-c1ccccc1 ZINC000064888207 568979388 /nfs/dbraw/zinc/97/93/88/568979388.db2.gz GDIQLLWHCMAPPC-UHFFFAOYSA-N -1 3 441.940 4.344 50 0 IIAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)s1 ZINC000064930325 568988618 /nfs/dbraw/zinc/98/86/18/568988618.db2.gz CANIHCUNHWSLAU-INIZCTEOSA-N -1 3 432.427 4.185 50 0 IIAAHM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)NCc1cccs1 ZINC000013850383 569157289 /nfs/dbraw/zinc/15/72/89/569157289.db2.gz GMDVRFJZBNBMNW-UHFFFAOYSA-N -1 3 440.590 4.287 50 0 IIAAHM COc1cc(OC)cc(C(=O)[N-]C(=S)N=c2sc3c(ccc4ccccc34)n2C)c1 ZINC000017149577 569174897 /nfs/dbraw/zinc/17/48/97/569174897.db2.gz HOQIKOKZAZUNLJ-GYHWCHFESA-N -1 3 437.546 4.026 50 0 IIAAHM CN1CCC(n2nccc2[N-]S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)CC1 ZINC000170655491 569192495 /nfs/dbraw/zinc/19/24/95/569192495.db2.gz QIDJACJVTQWDHB-UHFFFAOYSA-N -1 3 439.368 4.411 50 0 IIAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)nn2)n1 ZINC000013010029 569306731 /nfs/dbraw/zinc/30/67/31/569306731.db2.gz DVSMELFRKIJRRL-UHFFFAOYSA-N -1 3 440.916 4.169 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCCOc2ccccc2)S1 ZINC000020896219 569375094 /nfs/dbraw/zinc/37/50/94/569375094.db2.gz DSQLHSFKURTFIQ-HXUWFJFHSA-N -1 3 447.944 4.189 50 0 IIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(Cl)c2)CCO1 ZINC000096118422 569384468 /nfs/dbraw/zinc/38/44/68/569384468.db2.gz LYHJUYNCHQAVPG-BZNIZROVSA-N -1 3 425.913 4.286 50 0 IIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)c(Cl)c2)CCO1 ZINC000096118424 569384491 /nfs/dbraw/zinc/38/44/91/569384491.db2.gz LYHJUYNCHQAVPG-BDJLRTHQSA-N -1 3 425.913 4.286 50 0 IIAAHM CCc1ccc([C@H](C)NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1 ZINC000096399510 569400204 /nfs/dbraw/zinc/40/02/04/569400204.db2.gz CUCPPMKOZFLKSH-ZDUSSCGKSA-N -1 3 449.623 4.200 50 0 IIAAHM Cc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000002717846 569417948 /nfs/dbraw/zinc/41/79/48/569417948.db2.gz IQOYPQFDHMCYLB-UHFFFAOYSA-N -1 3 425.901 4.214 50 0 IIAAHM COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)cc1O ZINC000217808874 569453584 /nfs/dbraw/zinc/45/35/84/569453584.db2.gz DZMFABCNVCLCEL-QGZVFWFLSA-N -1 3 430.412 4.321 50 0 biogenic IIAAHM CCOC(=O)[C@@]([N-]c1cccc(Cl)c1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000004208109 569460936 /nfs/dbraw/zinc/46/09/36/569460936.db2.gz DZEUPSZTHMPXLG-GOSISDBHSA-N -1 3 430.810 4.012 50 0 IIAAHM Cc1nc(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c(C(N)=O)c(C)c1C ZINC000008704006 569470279 /nfs/dbraw/zinc/47/02/79/569470279.db2.gz HVBIBZSSZMCMRK-UHFFFAOYSA-N -1 3 436.562 4.363 50 0 IIAAHM CN(C)c1c(F)cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1F ZINC000040155359 569493924 /nfs/dbraw/zinc/49/39/24/569493924.db2.gz WMUAYSNPFWDVTF-UHFFFAOYSA-N -1 3 449.454 4.223 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2ccccc2)[C@H](c2ccccc2F)C1 ZINC000008992966 569495431 /nfs/dbraw/zinc/49/54/31/569495431.db2.gz MJTBBQYSKVEOFH-QFIPXVFZSA-N -1 3 437.496 4.189 50 0 IIAAHM O=C(CCc1nc2ccccc2o1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009378650 569527618 /nfs/dbraw/zinc/52/76/18/569527618.db2.gz DEUDOXKLGQUWJU-UHFFFAOYSA-N -1 3 439.468 4.339 50 0 IIAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000009461826 569537123 /nfs/dbraw/zinc/53/71/23/569537123.db2.gz KKFOGJDVGFYJDO-UHFFFAOYSA-N -1 3 444.896 4.164 50 0 IIAAHM CC(=O)c1ccc(OCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000009468185 569538625 /nfs/dbraw/zinc/53/86/25/569538625.db2.gz AUOOMXNNTPTJNE-UHFFFAOYSA-N -1 3 438.505 4.016 50 0 IIAAHM CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1csc2[N-]C(=O)c1ccco1 ZINC000009518553 569544126 /nfs/dbraw/zinc/54/41/26/569544126.db2.gz NBPVKWQBRXMIDX-UHFFFAOYSA-N -1 3 443.868 4.123 50 0 IIAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3ncnc4sccc43)nc(=O)c2c1C ZINC000009643534 569555934 /nfs/dbraw/zinc/55/59/34/569555934.db2.gz DQRGXUZLZOCWCJ-VIFPVBQESA-N -1 3 432.552 4.328 50 0 IIAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1cncn1-c1ccccc1 ZINC000009672268 569558798 /nfs/dbraw/zinc/55/87/98/569558798.db2.gz MGCOKEJEVMHNMI-UHFFFAOYSA-N -1 3 436.468 4.065 50 0 IIAAHM COc1ccc(CNCc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000009746714 569565746 /nfs/dbraw/zinc/56/57/46/569565746.db2.gz BQWFXIUXZBNAQK-UHFFFAOYSA-N -1 3 426.488 4.298 50 0 IIAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000010077910 569577691 /nfs/dbraw/zinc/57/76/91/569577691.db2.gz VUPCVSJAPZYJFF-UHFFFAOYSA-N -1 3 432.448 4.092 50 0 IIAAHM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccc(Br)cc3)c([O-])c12 ZINC000010166810 569578334 /nfs/dbraw/zinc/57/83/34/569578334.db2.gz FMXIGGCTMBMDQO-UHFFFAOYSA-N -1 3 437.297 4.345 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(Cl)c(C)c3)cc2)S1 ZINC000020895588 519643242 /nfs/dbraw/zinc/64/32/42/519643242.db2.gz KVRBQQJAQKZLAN-FQEVSTJZSA-N -1 3 447.944 4.107 50 0 IIAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](c1ccc(OC)cc1)C1CC1 ZINC000012854941 520862304 /nfs/dbraw/zinc/86/23/04/520862304.db2.gz UORHXFSLDTZULL-IBGZPJMESA-N -1 3 440.359 4.286 50 0 IIAAHM CCOC(=O)[C@]([N-]c1ccc(Br)cc1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000012412271 521173355 /nfs/dbraw/zinc/17/33/55/521173355.db2.gz KDZTWGLQAUZCHP-KRWDZBQOSA-N -1 3 445.235 4.113 50 0 IIAAHM CCCn1cnc2cc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)ccc21 ZINC000035453566 521663514 /nfs/dbraw/zinc/66/35/14/521663514.db2.gz VJHUAGNKPBCCRO-FQEVSTJZSA-N -1 3 439.541 4.172 50 0 IIAAHM COc1cc(-c2nc3nc(C)cc(C)n3c2Nc2ccc3c(c2)OCCO3)cc(OC)c1[O-] ZINC000035606470 521906860 /nfs/dbraw/zinc/90/68/60/521906860.db2.gz BOYZCHUQKBIJDV-UHFFFAOYSA-N -1 3 448.479 4.251 50 0 IIAAHM COc1cc(Cl)c(S(=O)(=O)[N-]CCOC23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000012418130 522530320 /nfs/dbraw/zinc/53/03/20/522530320.db2.gz WIZIGUHFQKCQLH-UHFFFAOYSA-N -1 3 434.385 4.266 50 0 IIAAHM COc1ccc(-c2csc(N3N=C4c5ccccc5C[C@H]4[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000016957560 523168450 /nfs/dbraw/zinc/16/84/50/523168450.db2.gz ANGZXRXOAHCFFY-UZLBHIALSA-N -1 3 431.439 4.466 50 0 IIAAHM COc1cccc(CN(C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1OC ZINC000012771865 525916902 /nfs/dbraw/zinc/91/69/02/525916902.db2.gz XOBLCLWZQDCQQL-ZDUSSCGKSA-N -1 3 425.510 4.455 50 0 IIAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)c1 ZINC000012742640 525981375 /nfs/dbraw/zinc/98/13/75/525981375.db2.gz GSUXTKWXRKEINL-UHFFFAOYSA-N -1 3 446.326 4.206 50 0 IIAAHM O=C([N-]c1ccc(F)cc1F)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088375 527212884 /nfs/dbraw/zinc/21/28/84/527212884.db2.gz YYQJJFUNUHMEDM-UHFFFAOYSA-N -1 3 437.303 4.480 50 0 IIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 ZINC000009569249 535401250 /nfs/dbraw/zinc/40/12/50/535401250.db2.gz XXKFCXMNXGHCMY-UHFFFAOYSA-N -1 3 426.494 4.072 50 0 IIAAHM CCSc1nnc2c(n1)OC(=C([O-])c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000000684206 555539180 /nfs/dbraw/zinc/53/91/80/555539180.db2.gz BENGCJLOKDDYFR-GOSISDBHSA-N -1 3 443.326 4.426 50 0 IIAAHM O=C(Nc1cc(Cl)ccc1[O-])c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000793729 555557715 /nfs/dbraw/zinc/55/77/15/555557715.db2.gz HRXOCALHIMCXEY-UHFFFAOYSA-N -1 3 439.806 4.483 50 0 IIAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000001148770 555655277 /nfs/dbraw/zinc/65/52/77/555655277.db2.gz AAAUQUNVAVSFJI-UHFFFAOYSA-N -1 3 427.478 4.222 50 0 IIAAHM COc1cc(NC(C)=O)c(Cl)cc1C(=O)[N-]c1nnc(CCc2ccccc2)s1 ZINC000006073739 556073501 /nfs/dbraw/zinc/07/35/01/556073501.db2.gz HDCOIQGHWXEVOY-UHFFFAOYSA-N -1 3 430.917 4.196 50 0 IIAAHM CCCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1cc(Br)cs1 ZINC000002730136 556134270 /nfs/dbraw/zinc/13/42/70/556134270.db2.gz HEXHNNAXXUASKC-UHFFFAOYSA-N -1 3 446.344 4.486 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1 ZINC000002747337 556136662 /nfs/dbraw/zinc/13/66/62/556136662.db2.gz NTNKJCZPTYTWIC-UHFFFAOYSA-N -1 3 430.913 4.467 50 0 IIAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccncc3)c2)cc1 ZINC000008746762 556210023 /nfs/dbraw/zinc/21/00/23/556210023.db2.gz BMOONFCFFWNUBO-UHFFFAOYSA-N -1 3 437.565 4.463 50 0 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COC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000096382336 569398175 /nfs/dbraw/zinc/39/81/75/569398175.db2.gz HCZWXGGSNPLOMX-UHFFFAOYSA-N -1 3 430.448 4.001 50 0 IIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000230035905 569418200 /nfs/dbraw/zinc/41/82/00/569418200.db2.gz GLVBQKOMRGPEFT-YTFSRNRJSA-N -1 3 432.451 4.276 50 0 IIAAHM O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000003022329 569436012 /nfs/dbraw/zinc/43/60/12/569436012.db2.gz ALYLQIHCFNNIJX-UHFFFAOYSA-N -1 3 436.867 4.349 50 0 IIAAHM COc1ccc2c(c1)c(CC(=O)[N-]C1=NCCS1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000003184688 569441365 /nfs/dbraw/zinc/44/13/65/569441365.db2.gz VUWHKKKXQDPSMH-UHFFFAOYSA-N -1 3 441.940 4.062 50 0 IIAAHM COC(=O)[C@]([O-])(c1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12)C(F)(F)F ZINC000003202393 569441646 /nfs/dbraw/zinc/44/16/46/569441646.db2.gz WIBUJCVQJRZCSV-LJQANCHMSA-N -1 3 425.790 4.055 50 0 IIAAHM CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 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50 0 IIAAHM COc1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)ccc1OCc1cscn1 ZINC000070012851 569528495 /nfs/dbraw/zinc/52/84/95/569528495.db2.gz FCIYHIBDBDPLJD-UHFFFAOYSA-N -1 3 448.504 4.042 50 0 IIAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000009490636 569540277 /nfs/dbraw/zinc/54/02/77/569540277.db2.gz NHCBAXCMCVMISM-UHFFFAOYSA-N -1 3 446.319 4.146 50 0 IIAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000009490636 569540278 /nfs/dbraw/zinc/54/02/78/569540278.db2.gz NHCBAXCMCVMISM-UHFFFAOYSA-N -1 3 446.319 4.146 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)Nc1ccccc1F ZINC000009521248 569544426 /nfs/dbraw/zinc/54/44/26/569544426.db2.gz GGXYCVZGVGMJLS-UHFFFAOYSA-N -1 3 429.864 4.044 50 0 IIAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)n1 ZINC000009572505 569547780 /nfs/dbraw/zinc/54/77/80/569547780.db2.gz WTIWBPCZMXALHQ-UHFFFAOYSA-N -1 3 441.557 4.184 50 0 IIAAHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cccs2)c2c[nH]c3ccccc32)c1OC ZINC000009591894 569550258 /nfs/dbraw/zinc/55/02/58/569550258.db2.gz NYHDHLPSLMRGKF-GOSISDBHSA-N -1 3 442.562 4.357 50 0 IIAAHM C[C@]1(c2cccc(Br)c2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009614100 569553079 /nfs/dbraw/zinc/55/30/79/569553079.db2.gz RLMJIHMRXVOKCX-QGZVFWFLSA-N -1 3 449.173 4.112 50 0 IIAAHM O=C(CCC(=O)c1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009835028 569570653 /nfs/dbraw/zinc/57/06/53/569570653.db2.gz PJGBBQBGJUPYHC-UHFFFAOYSA-N -1 3 426.469 4.228 50 0 IIAAHM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c([O-])c12 ZINC000010166817 569578292 /nfs/dbraw/zinc/57/82/92/569578292.db2.gz VLYKNUVMIHHQCI-UHFFFAOYSA-N -1 3 442.397 4.482 50 0 IIAAHM CS(=O)(=O)c1ccc(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000010252567 569579900 /nfs/dbraw/zinc/57/99/00/569579900.db2.gz RLGHLDDPRMWEFD-UHFFFAOYSA-N -1 3 438.530 4.254 50 0 IIAAHM CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2cc(OC)c([O-])c(OC)c2)C1=O ZINC000036258186 569587978 /nfs/dbraw/zinc/58/79/78/569587978.db2.gz PDIHJXRNTAXASN-LDADJPATSA-N -1 3 441.505 4.261 50 0 IIAAHM CN(Cc1ccccc1N1CCOCC1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000008898157 132297139 /nfs/dbraw/zinc/29/71/39/132297139.db2.gz DBASRVCNIXGVLF-UHFFFAOYSA-N -1 3 446.576 4.120 50 0 IIAAHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O)c(Cl)cc1Cl ZINC000022063755 520667055 /nfs/dbraw/zinc/66/70/55/520667055.db2.gz JABKNXUIKWARMX-LLVKDONJSA-N -1 3 431.341 4.418 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3cccnc3)ccc2C)cc1 ZINC000021202262 521130768 /nfs/dbraw/zinc/13/07/68/521130768.db2.gz NUVXQTBGZNUYCK-UHFFFAOYSA-N -1 3 439.537 4.161 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4sccc4C3)ccc2C)cc1 ZINC000012216187 524686931 /nfs/dbraw/zinc/68/69/31/524686931.db2.gz XFOYZKRPGGWEEW-UHFFFAOYSA-N -1 3 442.562 4.064 50 0 IIAAHM Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4cc(Cl)ccc4[O-])C3)no2)cc1 ZINC000021724710 525812778 /nfs/dbraw/zinc/81/27/78/525812778.db2.gz CAYRHFSKRISEPY-INIZCTEOSA-N -1 3 426.904 4.255 50 0 IIAAHM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(CCc2ccncc2)CC1 ZINC000020713677 526314975 /nfs/dbraw/zinc/31/49/75/526314975.db2.gz JEESSFHEVPNTOM-SANMLTNESA-N -1 3 440.547 4.216 50 0 IIAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000012756645 526552480 /nfs/dbraw/zinc/55/24/80/526552480.db2.gz BIUNEYBAEATNOS-UHFFFAOYSA-N -1 3 430.526 4.008 50 0 IIAAHM O=c1nc(CN2CCN(Cc3ccccc3)CC2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000022833581 527437910 /nfs/dbraw/zinc/43/79/10/527437910.db2.gz XGYAJAAEPSNGDA-UHFFFAOYSA-N -1 3 434.540 4.109 50 0 IIAAHM COc1cccc(-c2nc3ccccc3c(N3CCN(Cc4ccccc4)CC3)n2)c1[O-] ZINC000001297627 537069563 /nfs/dbraw/zinc/06/95/63/537069563.db2.gz BVSWXCCGGDFPOR-UHFFFAOYSA-N -1 3 426.520 4.333 50 0 IIAAHM CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccccc2OCC)cc1 ZINC000000669353 555530201 /nfs/dbraw/zinc/53/02/01/555530201.db2.gz KAFKDVPCZHHBEZ-QHCPKHFHSA-N -1 3 431.492 4.396 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)cc1 ZINC000000674252 555533129 /nfs/dbraw/zinc/53/31/29/555533129.db2.gz JKNSUIZZSRIXDP-UHFFFAOYSA-N -1 3 440.521 4.212 50 0 IIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(OC)c1)C(F)(F)F ZINC000002275375 555764701 /nfs/dbraw/zinc/76/47/01/555764701.db2.gz CBEICMHIWVMVQX-GOSISDBHSA-N -1 3 446.809 4.306 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1 ZINC000002858524 555842936 /nfs/dbraw/zinc/84/29/36/555842936.db2.gz WJZJARPZYXBJTD-UHFFFAOYSA-N -1 3 439.493 4.343 50 0 IIAAHM CCOC(=O)[C@]([N-]c1cccc(C(C)=O)c1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103418 555887284 /nfs/dbraw/zinc/88/72/84/555887284.db2.gz UEXQHFNXEXUPSP-IBGZPJMESA-N -1 3 442.821 4.206 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1ccc(Cl)c(Cl)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103599 555887360 /nfs/dbraw/zinc/88/73/60/555887360.db2.gz KVZGGZZXZSVRRB-OAHLLOKOSA-N -1 3 425.190 4.250 50 0 IIAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(I)cc1 ZINC000008834387 556225700 /nfs/dbraw/zinc/22/57/00/556225700.db2.gz MBXJHTSUVOWLQO-UHFFFAOYSA-N -1 3 428.078 4.399 50 0 IIAAHM COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000013758981 556301486 /nfs/dbraw/zinc/30/14/86/556301486.db2.gz PNLDAACTMMOHLJ-RBUKOAKNSA-N -1 3 433.443 4.417 50 0 IIAAHM Cc1nn(-c2nc3ccccc3o2)c(N)c1[C@]([O-])(c1nc2ccccc2s1)C(F)(F)F ZINC000014187876 556386731 /nfs/dbraw/zinc/38/67/31/556386731.db2.gz DDUPNOBACLOWSC-IBGZPJMESA-N -1 3 445.426 4.312 50 0 IIAAHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012974436 556420264 /nfs/dbraw/zinc/42/02/64/556420264.db2.gz FLYOCELINNLSNW-UHFFFAOYSA-N -1 3 427.961 4.132 50 0 IIAAHM CCc1ccccc1NC(=O)CN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012977974 556422725 /nfs/dbraw/zinc/42/27/25/556422725.db2.gz BJFHDABHCXIPTB-UHFFFAOYSA-N -1 3 432.549 4.285 50 0 IIAAHM Cc1cccc(COc2ccccc2C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000032908036 556564233 /nfs/dbraw/zinc/56/42/33/556564233.db2.gz RNYZWRPLWZTSFT-UHFFFAOYSA-N -1 3 428.485 4.337 50 0 IIAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000010613113 556615338 /nfs/dbraw/zinc/61/53/38/556615338.db2.gz IYGGSUSJHKMYLL-UHFFFAOYSA-N -1 3 446.319 4.146 50 0 IIAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cc1ccccc1 ZINC000016729846 556631353 /nfs/dbraw/zinc/63/13/53/556631353.db2.gz ITJAKTVNZLYBIG-UHFFFAOYSA-N -1 3 425.506 4.248 50 0 IIAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000058159510 556763799 /nfs/dbraw/zinc/76/37/99/556763799.db2.gz ZPQUALWCRMZGCO-GOSISDBHSA-N -1 3 431.895 4.232 50 0 IIAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2C)CC(=O)N3)c1 ZINC000046075508 557032163 /nfs/dbraw/zinc/03/21/63/557032163.db2.gz IFXRHFNEIFFVMH-KRWDZBQOSA-N -1 3 448.548 4.052 50 0 IIAAHM C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NC1CCCCC1 ZINC000023055289 557060866 /nfs/dbraw/zinc/06/08/66/557060866.db2.gz MQFSTUGKWHNUMS-GFCCVEGCSA-N -1 3 431.949 4.104 50 0 IIAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2cccc(C)c2)s1 ZINC000033306587 557085741 /nfs/dbraw/zinc/08/57/41/557085741.db2.gz NYQMAZNNTSSFTP-CSKARUKUSA-N -1 3 445.566 4.350 50 0 IIAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4ccc(Cl)cc4Cl)s3)nc2n1 ZINC000024828602 557165817 /nfs/dbraw/zinc/16/58/17/557165817.db2.gz CSIQWMHSGDKGRX-UHFFFAOYSA-N -1 3 433.324 4.348 50 0 IIAAHM CCCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2)nc(C)n1 ZINC000011613292 557230674 /nfs/dbraw/zinc/23/06/74/557230674.db2.gz DFYULJIWJOQVHU-UHFFFAOYSA-N -1 3 442.541 4.435 50 0 IIAAHM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000026862551 557249715 /nfs/dbraw/zinc/24/97/15/557249715.db2.gz ZVTSRJUJWKHBGP-UHFFFAOYSA-N -1 3 433.382 4.158 50 0 IIAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(C)c4)ccc3n2)CC1 ZINC000033010349 557321043 /nfs/dbraw/zinc/32/10/43/557321043.db2.gz JKQGOSCQRIHONY-UHFFFAOYSA-N -1 3 432.524 4.026 50 0 IIAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)c(OC)c1OC ZINC000102751328 557382883 /nfs/dbraw/zinc/38/28/83/557382883.db2.gz WNOCUXJTJRCUEH-BBATYDOGSA-N -1 3 438.440 4.317 50 0 IIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc2cccnc2n1C1CCCCC1 ZINC000047146900 557517969 /nfs/dbraw/zinc/51/79/69/557517969.db2.gz QMNIUPWTQPQUIE-UHFFFAOYSA-N -1 3 434.949 4.077 50 0 IIAAHM CCCCOc1ccc(C(=O)OCc2[n-]c(C(=O)OCC)c(C)c2C(=O)OCC)cc1 ZINC000025394583 568656230 /nfs/dbraw/zinc/65/62/30/568656230.db2.gz WKKYLQACXUDJAN-UHFFFAOYSA-N -1 3 431.485 4.212 50 0 IIAAHM O=S(=O)([N-]c1ccccc1I)c1cc(Cl)sc1Cl ZINC000012541711 568744065 /nfs/dbraw/zinc/74/40/65/568744065.db2.gz ZUILUYCYIMYOCA-UHFFFAOYSA-N -1 3 434.107 4.460 50 0 IIAAHM CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Br)c1[O-] ZINC000003667670 568753901 /nfs/dbraw/zinc/75/39/01/568753901.db2.gz WVFCWWRQOPYYHU-GDNBJRDFSA-N -1 3 439.375 4.286 50 0 IIAAHM COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000085875407 568838153 /nfs/dbraw/zinc/83/81/53/568838153.db2.gz JQEUIBOVVXOKSZ-QGZVFWFLSA-N -1 3 440.473 4.061 50 0 biogenic IIAAHM Cc1ccc(C(=O)[C@H](OC(=O)c2cccc([N-]S(C)(=O)=O)c2)c2ccc(C)cc2)cc1 ZINC000006144170 568846071 /nfs/dbraw/zinc/84/60/71/568846071.db2.gz PQLDIAQNANTQEF-HSZRJFAPSA-N -1 3 437.517 4.456 50 0 IIAAHM COc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1[O-] ZINC000006177094 568852475 /nfs/dbraw/zinc/85/24/75/568852475.db2.gz UOAUWVNTAFWUSV-UHFFFAOYSA-N -1 3 446.532 4.057 50 0 IIAAHM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000016690067 568938539 /nfs/dbraw/zinc/93/85/39/568938539.db2.gz UKTKRCWHPLYNAO-PBHICJAKSA-N -1 3 448.976 4.077 50 0 IIAAHM Cc1ccc(-c2nc3ccccc3n2CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000064888043 568979372 /nfs/dbraw/zinc/97/93/72/568979372.db2.gz CDQFIWMIMBZCDW-UHFFFAOYSA-N -1 3 427.476 4.268 50 0 IIAAHM O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930323 568988688 /nfs/dbraw/zinc/98/86/88/568988688.db2.gz HMBPEBZZPBFWJU-KRWDZBQOSA-N -1 3 446.454 4.114 50 0 IIAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)NC2CCCCC2)s1 ZINC000064930837 568989202 /nfs/dbraw/zinc/98/92/02/568989202.db2.gz PRNDFHGGIAWHFO-MRXNPFEDSA-N -1 3 435.500 4.248 50 0 IIAAHM Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(NC(=O)C(C)C)cc43)CC2)c(C)c1 ZINC000036365830 569086989 /nfs/dbraw/zinc/08/69/89/569086989.db2.gz LNUNAQATECPUTG-XMMPIXPASA-N -1 3 448.567 4.327 50 0 IIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1 ZINC000065063420 569098077 /nfs/dbraw/zinc/09/80/77/569098077.db2.gz BCJRTLNPIOHVHC-UHFFFAOYSA-N -1 3 425.510 4.121 50 0 IIAAHM CCc1ccc([C@H](NC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C(C)C)cc1 ZINC000009758900 569148991 /nfs/dbraw/zinc/14/89/91/569148991.db2.gz LLYSXCHGSJBMCF-OAQYLSRUSA-N -1 3 449.642 4.160 50 0 IIAAHM CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002363664 569287733 /nfs/dbraw/zinc/28/77/33/569287733.db2.gz FWQLBYPFHHUGON-BEFAXECRSA-N -1 3 431.558 4.281 50 0 IIAAHM CC(C)Oc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002363666 569287835 /nfs/dbraw/zinc/28/78/35/569287835.db2.gz FWQLBYPFHHUGON-DNVCBOLYSA-N -1 3 431.558 4.281 50 0 IIAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3)nn2)n1 ZINC000013010012 569306676 /nfs/dbraw/zinc/30/66/76/569306676.db2.gz CXOCXVUAKHWCLT-UHFFFAOYSA-N -1 3 434.525 4.132 50 0 IIAAHM O=S(=O)([N-]c1c(F)c(F)c(F)c(F)c1F)c1cnc2onc(-c3ccccc3)c2c1 ZINC000328594493 569317596 /nfs/dbraw/zinc/31/75/96/569317596.db2.gz ODFHIENBEIEPON-UHFFFAOYSA-N -1 3 441.337 4.386 50 0 IIAAHM CCOC(=O)[C@]([N-]c1cccc(Cl)c1C)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000020032580 569332500 /nfs/dbraw/zinc/33/25/00/569332500.db2.gz BPFRKNSPNSFWHY-IBGZPJMESA-N -1 3 444.837 4.321 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000020032633 569332615 /nfs/dbraw/zinc/33/26/15/569332615.db2.gz JQBLAKUKAVELCB-GOSISDBHSA-N -1 3 448.800 4.151 50 0 IIAAHM Cc1cccc(C)c1N1C(=O)C[C@H](Sc2nnc([N-]c3ccccc3F)s2)C1=O ZINC000095351727 569361882 /nfs/dbraw/zinc/36/18/82/569361882.db2.gz FDNCZDMWUOAJRZ-HNNXBMFYSA-N -1 3 428.514 4.462 50 0 IIAAHM O=S(=O)([N-]c1ccncc1Br)c1cc(Cl)c(Br)s1 ZINC000095436553 569366549 /nfs/dbraw/zinc/36/65/49/569366549.db2.gz WMGAZERCSOMJBT-UHFFFAOYSA-N -1 3 432.546 4.122 50 0 IIAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1ccc(Cl)cc1)C3 ZINC000096326911 569396252 /nfs/dbraw/zinc/39/62/52/569396252.db2.gz SNVNHGVFIOZGQZ-UHFFFAOYSA-N -1 3 432.307 4.253 50 0 IIAAHM O=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000003022038 569435981 /nfs/dbraw/zinc/43/59/81/569435981.db2.gz ZBPPUAPGPGSYFL-UHFFFAOYSA-N -1 3 436.867 4.349 50 0 IIAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]CCc3ccccc3)c2)cc1 ZINC000003022219 569435983 /nfs/dbraw/zinc/43/59/83/569435983.db2.gz YQUNUXRUAFCZJN-UHFFFAOYSA-N -1 3 426.513 4.161 50 0 IIAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180901 569440958 /nfs/dbraw/zinc/44/09/58/569440958.db2.gz JTJVTLZRYMLJOR-UHFFFAOYSA-N -1 3 437.956 4.298 50 0 IIAAHM CCOC(=O)c1csc(N2N=C(c3cccc4ccccc43)C[C@@]2([O-])C(F)(F)F)n1 ZINC000008711427 569471006 /nfs/dbraw/zinc/47/10/06/569471006.db2.gz AWYAKKIBTLNEHE-LJQANCHMSA-N -1 3 435.427 4.338 50 0 IIAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1ccc(Cl)cc1 ZINC000009096288 569501465 /nfs/dbraw/zinc/50/14/65/569501465.db2.gz IYCJUGAWMOISEY-UHFFFAOYSA-N -1 3 444.940 4.144 50 0 IIAAHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450334 569506293 /nfs/dbraw/zinc/50/62/93/569506293.db2.gz ZYEKUXZJDLAOKA-AWEZNQCLSA-N -1 3 445.423 4.243 50 0 IIAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1Cl ZINC000009284316 569519081 /nfs/dbraw/zinc/51/90/81/569519081.db2.gz QQPQFPFXKCOWBN-UHFFFAOYSA-N -1 3 442.349 4.277 50 0 IIAAHM CCS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000009384195 569528394 /nfs/dbraw/zinc/52/83/94/569528394.db2.gz FTXPXIBVFMAOBR-UHFFFAOYSA-N -1 3 426.281 4.089 50 0 IIAAHM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000009512284 569542954 /nfs/dbraw/zinc/54/29/54/569542954.db2.gz QEFRBEQBLDEZSB-HXUWFJFHSA-N -1 3 448.972 4.157 50 0 IIAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCc2cccc(Br)c2)n1 ZINC000009640656 569555384 /nfs/dbraw/zinc/55/53/84/569555384.db2.gz PMNWRDIKONYPNC-UHFFFAOYSA-N -1 3 427.327 4.448 50 0 IIAAHM Cc1ccc2nc(NC(=O)c3c([O-])c4c(n(Cc5ccco5)c3=O)CCCC4)sc2c1 ZINC000002269277 569584390 /nfs/dbraw/zinc/58/43/90/569584390.db2.gz DFCHZDVKBJNVQK-UHFFFAOYSA-N -1 3 435.505 4.244 50 0 IIAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)C1CC1 ZINC000009415193 132316235 /nfs/dbraw/zinc/31/62/35/132316235.db2.gz JQZNOLLKNJPIJR-UHFFFAOYSA-N -1 3 433.961 4.480 50 0 IIAAHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(N4CCC(C)CC4)cc3)ccc21 ZINC000012560903 519564107 /nfs/dbraw/zinc/56/41/07/519564107.db2.gz LCVMXFKUIRTXLI-UHFFFAOYSA-N -1 3 427.570 4.023 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCCCOc2ccc(C)c(C)c2)S1 ZINC000020896258 519643573 /nfs/dbraw/zinc/64/35/73/519643573.db2.gz VUGIOSBIFUGGAH-JOCHJYFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCCOc2ccc(C)cc2)S1 ZINC000020896364 519643581 /nfs/dbraw/zinc/64/35/81/519643581.db2.gz ZKHWYJDJUFVUGT-QFIPXVFZSA-N -1 3 441.553 4.152 50 0 IIAAHM CCCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022615684 521356554 /nfs/dbraw/zinc/35/65/54/521356554.db2.gz MGQFTRDYBJABRY-MRXNPFEDSA-N -1 3 426.542 4.070 50 0 IIAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3C[C@@H](C)O[C@H](C)C3)cc2[O-])cc1 ZINC000020591197 523075096 /nfs/dbraw/zinc/07/50/96/523075096.db2.gz DZIPXANSGQRFCA-IAGOWNOFSA-N -1 3 437.540 4.254 50 0 IIAAHM Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccc([O-])cc3O)n(-c3ccccc3)n2)cc1 ZINC000012694532 525735534 /nfs/dbraw/zinc/73/55/34/525735534.db2.gz ABMMLUIBLLHYEC-UHFFFAOYSA-N -1 3 443.459 4.054 50 0 IIAAHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000012789190 525787015 /nfs/dbraw/zinc/78/70/15/525787015.db2.gz AMLFNAWPGHQWGU-OAQYLSRUSA-N -1 3 435.597 4.260 50 0 IIAAHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012557169 526492888 /nfs/dbraw/zinc/49/28/88/526492888.db2.gz XWFBNJNPZGUXIB-DEOSSOPVSA-N -1 3 449.576 4.054 50 0 IIAAHM COc1ccccc1-n1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccccc1 ZINC000000977039 555592569 /nfs/dbraw/zinc/59/25/69/555592569.db2.gz XFAVHJZRWIISGB-UHFFFAOYSA-N -1 3 432.505 4.379 50 0 IIAAHM Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2[O-])C(Cl)(Cl)Cl)cc1 ZINC000001232110 555686793 /nfs/dbraw/zinc/68/67/93/555686793.db2.gz JKELWJOKKHDKNX-OAHLLOKOSA-N -1 3 432.760 4.113 50 0 IIAAHM CCOC(=O)[C@]([O-])(c1ccc(N(C)C(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003062699 555884028 /nfs/dbraw/zinc/88/40/28/555884028.db2.gz HBLNFATUEDJFBD-GOSISDBHSA-N -1 3 430.810 4.321 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)cc1 ZINC000005940502 556069728 /nfs/dbraw/zinc/06/97/28/556069728.db2.gz XSJNYYKLENIVIP-UHFFFAOYSA-N -1 3 426.494 4.147 50 0 IIAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)cc1 ZINC000003022537 556157363 /nfs/dbraw/zinc/15/73/63/556157363.db2.gz HZMHWSWTSSHCDP-UHFFFAOYSA-N -1 3 446.475 4.094 50 0 IIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@]32C)cc1 ZINC000008738043 556205054 /nfs/dbraw/zinc/20/50/54/556205054.db2.gz MYERLJKKPCTZKL-JCYRPKCISA-N -1 3 428.488 4.445 50 0 IIAAHM COc1ccccc1Cc1nnc([N-]C(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1 ZINC000009489235 556294789 /nfs/dbraw/zinc/29/47/89/556294789.db2.gz UWXHDFCYYIQOKO-UHFFFAOYSA-N -1 3 446.916 4.010 50 0 IIAAHM CC(C)[C@@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)c1ccc2c(c1)OCCCO2 ZINC000014066571 556359157 /nfs/dbraw/zinc/35/91/57/556359157.db2.gz JCNHBOUGKUMTMU-LJQANCHMSA-N -1 3 444.582 4.300 50 0 IIAAHM CC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1 ZINC000013125969 556475068 /nfs/dbraw/zinc/47/50/68/556475068.db2.gz XVKOORZSFAPYML-UHFFFAOYSA-N -1 3 443.912 4.352 50 0 IIAAHM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115368 556554926 /nfs/dbraw/zinc/55/49/26/556554926.db2.gz MQVXERSRULNKIL-QGZVFWFLSA-N -1 3 426.582 4.313 50 0 IIAAHM CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000137840518 556698759 /nfs/dbraw/zinc/69/87/59/556698759.db2.gz OJTVJQQTIRDHQH-GUDVDZBRSA-N -1 3 429.314 4.174 50 0 IIAAHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(C(C)(C)C)cc1 ZINC000054274505 556729877 /nfs/dbraw/zinc/72/98/77/556729877.db2.gz HHTZANMKZQDCGL-UHFFFAOYSA-N -1 3 430.596 4.289 50 0 IIAAHM O=C(OCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000002637662 556801633 /nfs/dbraw/zinc/80/16/33/556801633.db2.gz RWKNQSPZTALFIN-UHFFFAOYSA-N -1 3 433.888 4.315 50 0 IIAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c(C)c1 ZINC000046075501 557032179 /nfs/dbraw/zinc/03/21/79/557032179.db2.gz BPUNVLXLJVPMCS-QGZVFWFLSA-N -1 3 448.548 4.052 50 0 IIAAHM Cc1c([O-])ccc2c(COC(=O)c3cccc(NC(=O)c4cccs4)c3)cc(=O)oc12 ZINC000023070284 557061351 /nfs/dbraw/zinc/06/13/51/557061351.db2.gz UHZQCPRIASDMRE-UHFFFAOYSA-N -1 3 435.457 4.478 50 0 IIAAHM CCc1cc(-c2csc(S(=O)(=O)[N-]Cc3ccc(Br)cc3)c2)on1 ZINC000033290305 557068625 /nfs/dbraw/zinc/06/86/25/557068625.db2.gz PVQXHKJNMBXJRT-UHFFFAOYSA-N -1 3 427.345 4.207 50 0 IIAAHM Cc1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c1C ZINC000033331747 557115682 /nfs/dbraw/zinc/11/56/82/557115682.db2.gz GRIOZGXTGYJLPC-UHFFFAOYSA-N -1 3 434.565 4.088 50 0 IIAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1 ZINC000024043016 557133605 /nfs/dbraw/zinc/13/36/05/557133605.db2.gz ROPVYIDODZJOBJ-HNNXBMFYSA-N -1 3 433.382 4.032 50 0 IIAAHM CCN(CC)[C@@H](CN1CCN(C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000096316551 557198457 /nfs/dbraw/zinc/19/84/57/557198457.db2.gz OLQANDAZOREQMH-NLFFAJNJSA-N -1 3 441.591 4.051 50 0 IIAAHM CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018097679 557236684 /nfs/dbraw/zinc/23/66/84/557236684.db2.gz HZCHVXGZXPEOCQ-QRVBRYPASA-N -1 3 429.314 4.318 50 0 IIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102196373 557314607 /nfs/dbraw/zinc/31/46/07/557314607.db2.gz OJWSVBCPLATMAB-YPAWHYETSA-N -1 3 434.879 4.400 50 0 IIAAHM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4[N-][C@H]3c3ccc4c(c3)OCCO4)C2)cc1 ZINC000102754615 557383965 /nfs/dbraw/zinc/38/39/65/557383965.db2.gz NBFDBYBJEOJKKL-NYHFZMIOSA-N -1 3 446.463 4.478 50 0 IIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2)n1 ZINC000023997111 557390618 /nfs/dbraw/zinc/39/06/18/557390618.db2.gz JVPQLCCPKDFSTQ-UHFFFAOYSA-N -1 3 427.530 4.078 50 0 IIAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1cc(C)ccc1C)c1nc(C)cs1 ZINC000103076363 557418324 /nfs/dbraw/zinc/41/83/24/557418324.db2.gz UTHAFIOTCBEYRO-SFHVURJKSA-N -1 3 429.567 4.262 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1Cl ZINC000104571029 557456761 /nfs/dbraw/zinc/45/67/61/557456761.db2.gz UNLSCICPIVSTTE-UHFFFAOYSA-N -1 3 448.715 4.184 50 0 IIAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 ZINC000015411378 568761880 /nfs/dbraw/zinc/76/18/80/568761880.db2.gz FOSPADKNAOFVRX-UHFFFAOYSA-N -1 3 441.258 4.319 50 0 IIAAHM COc1cc(OC)cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000015437261 568762123 /nfs/dbraw/zinc/76/21/23/568762123.db2.gz KBKDCNHMQWKQTE-UHFFFAOYSA-N -1 3 446.912 4.410 50 0 IIAAHM O=C(Nc1ccc(Br)cc1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000001252782 568775021 /nfs/dbraw/zinc/77/50/21/568775021.db2.gz XLWRVVDBPFXIPV-UHFFFAOYSA-N -1 3 443.297 4.089 50 0 IIAAHM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc2S1 ZINC000015730385 568813863 /nfs/dbraw/zinc/81/38/63/568813863.db2.gz WSTMUVSTRUSNPH-SECBINFHSA-N -1 3 445.335 4.212 50 0 IIAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cc(-c2cccs2)n(C2CCCC2)n1 ZINC000090607084 568889706 /nfs/dbraw/zinc/88/97/06/568889706.db2.gz FSMHIXZMTYCUCA-UHFFFAOYSA-N -1 3 435.546 4.353 50 0 IIAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000239439200 568911739 /nfs/dbraw/zinc/91/17/39/568911739.db2.gz ZOJIDIFKCOZITF-TZRRMPRUSA-N -1 3 428.488 4.309 50 0 IIAAHM CCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)nc1 ZINC000065063500 569097635 /nfs/dbraw/zinc/09/76/35/569097635.db2.gz PGEAZMWGRKCHTI-UHFFFAOYSA-N -1 3 439.537 4.431 50 0 IIAAHM CC[C@H](C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000065063612 569097652 /nfs/dbraw/zinc/09/76/52/569097652.db2.gz FIUYPJLOGBHQDC-HNNXBMFYSA-N -1 3 443.500 4.342 50 0 IIAAHM CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1cc(F)ccc1F)N2 ZINC000065298635 569132162 /nfs/dbraw/zinc/13/21/62/569132162.db2.gz CFSIHCAUHXNDFB-FQEVSTJZSA-N -1 3 429.467 4.143 50 0 biogenic IIAAHM COCCNc1c(-c2cc(OC)c([O-])c(OC)c2)nc2sc3cc(OC)ccc3n21 ZINC000065319346 569134754 /nfs/dbraw/zinc/13/47/54/569134754.db2.gz HIBIJOCWZNTSBU-UHFFFAOYSA-N -1 3 429.498 4.006 50 0 IIAAHM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000017013740 569170785 /nfs/dbraw/zinc/17/07/85/569170785.db2.gz PQEMUFGXMAJQBL-UHFFFAOYSA-N -1 3 427.505 4.069 50 0 IIAAHM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000095416172 569177889 /nfs/dbraw/zinc/17/78/89/569177889.db2.gz FMRPOMPUXFWJPT-UHFFFAOYSA-N -1 3 438.495 4.035 50 0 IIAAHM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000095416172 569177891 /nfs/dbraw/zinc/17/78/91/569177891.db2.gz FMRPOMPUXFWJPT-UHFFFAOYSA-N -1 3 438.495 4.035 50 0 IIAAHM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000014128760 569256808 /nfs/dbraw/zinc/25/68/08/569256808.db2.gz OOUCFCQIQLLUSZ-GPMSIDNRSA-N -1 3 442.890 4.293 50 0 IIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)C2CCCCC2)[C@H](c2cccc(F)c2)C1 ZINC000253433135 569269347 /nfs/dbraw/zinc/26/93/47/569269347.db2.gz SONLPHLDNHTJOP-QFIPXVFZSA-N -1 3 443.544 4.455 50 0 IIAAHM Cc1nn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)nn2)c(C)c1C ZINC000013010075 569306781 /nfs/dbraw/zinc/30/67/81/569306781.db2.gz XSSDDBSKCDYYSR-UHFFFAOYSA-N -1 3 448.552 4.440 50 0 IIAAHM CCOC(=O)[C@@]([N-]c1cccc(Cl)c1C)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000020032585 569332508 /nfs/dbraw/zinc/33/25/08/569332508.db2.gz BPFRKNSPNSFWHY-LJQANCHMSA-N -1 3 444.837 4.321 50 0 IIAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1ccc(F)c(C)c1)C3 ZINC000096326917 569396293 /nfs/dbraw/zinc/39/62/93/569396293.db2.gz YTLWIONGXFMGJR-UHFFFAOYSA-N -1 3 429.879 4.047 50 0 IIAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2cccc(C)c2C)[n-]c3=O)cc1C ZINC000002718067 569418022 /nfs/dbraw/zinc/41/80/22/569418022.db2.gz XYEQPJQYCXKDFK-UHFFFAOYSA-N -1 3 433.537 4.486 50 0 IIAAHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)c(C)c1 ZINC000002718069 569418090 /nfs/dbraw/zinc/41/80/90/569418090.db2.gz IXEZFTNVBFZLMJ-UHFFFAOYSA-N -1 3 433.537 4.486 50 0 IIAAHM O=C(COc1cccc(F)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000003307090 569445297 /nfs/dbraw/zinc/44/52/97/569445297.db2.gz LHNSUBPYDNLTPP-UHFFFAOYSA-N -1 3 434.876 4.297 50 0 IIAAHM CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000003429500 569450695 /nfs/dbraw/zinc/45/06/95/569450695.db2.gz YJLCSSBYJVQQQS-UHFFFAOYSA-N -1 3 447.564 4.441 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1Cl ZINC000008840973 569478413 /nfs/dbraw/zinc/47/84/13/569478413.db2.gz AXLBUUNDEWVQHH-UHFFFAOYSA-N -1 3 436.961 4.475 50 0 IIAAHM O=C(Nc1ccccc1)C1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000008860926 569479912 /nfs/dbraw/zinc/47/99/12/569479912.db2.gz DZPQZRGTTHGANR-UHFFFAOYSA-N -1 3 434.521 4.095 50 0 IIAAHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cc2ccccc2o1 ZINC000040115460 569489210 /nfs/dbraw/zinc/48/92/10/569489210.db2.gz XAYMRSGJXMNLNR-CYBMUJFWSA-N -1 3 427.457 4.192 50 0 IIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1C ZINC000008977275 569492977 /nfs/dbraw/zinc/49/29/77/569492977.db2.gz ODNKMITYAKGQLJ-UHFFFAOYSA-N -1 3 442.562 4.064 50 0 IIAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1Cl ZINC000009013129 569496655 /nfs/dbraw/zinc/49/66/55/569496655.db2.gz TZDZLTODDJYGLI-INIZCTEOSA-N -1 3 438.233 4.071 50 0 IIAAHM CSc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)cc1 ZINC000009124404 569504273 /nfs/dbraw/zinc/50/42/73/569504273.db2.gz FRDSOCWKYHVESQ-NRFANRHFSA-N -1 3 443.956 4.394 50 0 IIAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1C ZINC000009166551 569508929 /nfs/dbraw/zinc/50/89/29/569508929.db2.gz AWBCDQQRJIJDPN-UHFFFAOYSA-N -1 3 446.569 4.274 50 0 IIAAHM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Br)c1[O-] ZINC000009296196 569520429 /nfs/dbraw/zinc/52/04/29/569520429.db2.gz OWSCOIJMPZZSDI-GDNBJRDFSA-N -1 3 433.327 4.158 50 0 IIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000009540067 569545720 /nfs/dbraw/zinc/54/57/20/569545720.db2.gz ZIFGJHZOPHQTEF-UHFFFAOYSA-N -1 3 444.484 4.286 50 0 IIAAHM C[C@@]1(c2cccc(Br)c2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009614099 569553064 /nfs/dbraw/zinc/55/30/64/569553064.db2.gz RLMJIHMRXVOKCX-KRWDZBQOSA-N -1 3 449.173 4.112 50 0 IIAAHM Cc1ccccc1NC(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[n-]n21 ZINC000009641309 569555610 /nfs/dbraw/zinc/55/56/10/569555610.db2.gz BGWFHWKDGAGVGQ-UHFFFAOYSA-N -1 3 447.564 4.421 50 0 IIAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000009668639 569557986 /nfs/dbraw/zinc/55/79/86/569557986.db2.gz RYLRAVBRZFOMBA-UHFFFAOYSA-N -1 3 438.549 4.142 50 0 IIAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009816319 569569278 /nfs/dbraw/zinc/56/92/78/569569278.db2.gz IJGFNQPMKKNQTN-OAQYLSRUSA-N -1 3 444.578 4.269 50 0 IIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)cc1 ZINC000010077776 569577657 /nfs/dbraw/zinc/57/76/57/569577657.db2.gz BOULUAQTANQIEZ-UHFFFAOYSA-N -1 3 428.554 4.181 50 0 IIAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c([O-])c12 ZINC000010166784 569578329 /nfs/dbraw/zinc/57/83/29/569578329.db2.gz ARLAXEZYRLVQQJ-UHFFFAOYSA-N -1 3 430.361 4.432 50 0 IIAAHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)[N-]c1nc2ccccc2n1-c1ccccc1 ZINC000059266361 569584882 /nfs/dbraw/zinc/58/48/82/569584882.db2.gz TVQDROIIVKUGAY-UHFFFAOYSA-N -1 3 435.487 4.649 50 0 IIAAHM