smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnc(NC(=O)c3occc3C)[n-]2)o1 ZINC000160399004 525851782 /nfs/dbraw/zinc/85/17/82/525851782.db2.gz SVIFGPFOBXFWGR-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3occc3C)n2)o1 ZINC000160399004 525851791 /nfs/dbraw/zinc/85/17/91/525851791.db2.gz SVIFGPFOBXFWGR-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3occc3C)n[n-]2)o1 ZINC000160399004 525851799 /nfs/dbraw/zinc/85/17/99/525851799.db2.gz SVIFGPFOBXFWGR-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3oc(C)cc3C)[n-]2)o1 ZINC000160259979 525852923 /nfs/dbraw/zinc/85/29/23/525852923.db2.gz DHTNPCVGWARIBH-UHFFFAOYSA-N -1 3 286.291 2.835 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3oc(C)cc3C)n2)o1 ZINC000160259979 525852931 /nfs/dbraw/zinc/85/29/31/525852931.db2.gz DHTNPCVGWARIBH-UHFFFAOYSA-N -1 3 286.291 2.835 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3oc(C)cc3C)n[n-]2)o1 ZINC000160259979 525852936 /nfs/dbraw/zinc/85/29/36/525852936.db2.gz DHTNPCVGWARIBH-UHFFFAOYSA-N -1 3 286.291 2.835 20 70 CFIDHM CO[N-]C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000160095399 378749079 /nfs/dbraw/zinc/74/90/79/378749079.db2.gz ZIIALRSJEUIPBW-MRVPVSSYSA-N -1 3 272.142 2.620 20 70 CFIDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccccc2[O-])C12CCC2 ZINC000159479799 378712548 /nfs/dbraw/zinc/71/25/48/378712548.db2.gz YKTQLOLUWRHJST-CABCVRRESA-N -1 3 289.375 2.812 20 70 CFIDHM O=C([N-]OCc1cccnc1)C1C2CC3CC(C2)CC1C3 ZINC000160743584 378795451 /nfs/dbraw/zinc/79/54/51/378795451.db2.gz ZIKBIQUIYGBJQV-UHFFFAOYSA-N -1 3 286.375 2.702 20 70 CFIDHM Cc1ccc(CCC(=O)[N-]OCc2cccnc2)c(C)c1 ZINC000160752229 378797276 /nfs/dbraw/zinc/79/72/76/378797276.db2.gz HIXLBJUNORNXJE-UHFFFAOYSA-N -1 3 284.359 2.879 20 70 CFIDHM O=C([N-]C1=NCCS1)C1(Cc2ccccc2)CCC1 ZINC000160892043 378807986 /nfs/dbraw/zinc/80/79/86/378807986.db2.gz LWSNMTYMIJNYOA-UHFFFAOYSA-N -1 3 274.389 2.618 20 70 CFIDHM COc1cc(F)c(NC([O-])=NOCC(C)C)cc1F ZINC000160965918 378812156 /nfs/dbraw/zinc/81/21/56/378812156.db2.gz BGXVTCPPXYZPBH-UHFFFAOYSA-N -1 3 274.267 2.683 20 70 CFIDHM COc1cc(F)c(NC(=O)[N-]OCC(C)C)cc1F ZINC000160965918 378812161 /nfs/dbraw/zinc/81/21/61/378812161.db2.gz BGXVTCPPXYZPBH-UHFFFAOYSA-N -1 3 274.267 2.683 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2cccc(F)c2)n1 ZINC000160519572 394366358 /nfs/dbraw/zinc/36/63/58/394366358.db2.gz TVUZFSHOYQCCJZ-UHFFFAOYSA-N -1 3 275.327 2.516 20 70 CFIDHM COc1ccc(C(=O)NC[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000218009919 280931705 /nfs/dbraw/zinc/93/17/05/280931705.db2.gz YIJQXUDQTUVXPY-NEPJUHHUSA-N -1 3 277.364 2.957 20 70 CFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2Cc2ccccc2)n1 ZINC000160654527 322341295 /nfs/dbraw/zinc/34/12/95/322341295.db2.gz WAQZAGSUGANUEJ-INIZCTEOSA-N -1 3 297.402 2.952 20 70 CFIDHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(OC)c2)c1 ZINC000160408869 524734779 /nfs/dbraw/zinc/73/47/79/524734779.db2.gz ZHOGFQXYMMHRBM-UHFFFAOYSA-N -1 3 291.278 2.801 20 70 CFIDHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccn1 ZINC000161123050 525135754 /nfs/dbraw/zinc/13/57/54/525135754.db2.gz LNYIOQNUMKRUPU-SNVBAGLBSA-N -1 3 290.750 2.861 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)C[C@@H](C)C(C)C)[n-]2)o1 ZINC000160212203 525846829 /nfs/dbraw/zinc/84/68/29/525846829.db2.gz HVBSMWAIYQTKMO-SECBINFHSA-N -1 3 276.340 2.994 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H](C)C(C)C)n2)o1 ZINC000160212203 525846838 /nfs/dbraw/zinc/84/68/38/525846838.db2.gz HVBSMWAIYQTKMO-SECBINFHSA-N -1 3 276.340 2.994 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)C[C@@H](C)C(C)C)n[n-]2)o1 ZINC000160212203 525846850 /nfs/dbraw/zinc/84/68/50/525846850.db2.gz HVBSMWAIYQTKMO-SECBINFHSA-N -1 3 276.340 2.994 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)c[nH]3)[n-]2)o1 ZINC000160360913 525851022 /nfs/dbraw/zinc/85/10/22/525851022.db2.gz KQXYZYBZWMSIQW-UHFFFAOYSA-N -1 3 291.698 2.607 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(Cl)c[nH]3)n2)o1 ZINC000160360913 525851026 /nfs/dbraw/zinc/85/10/26/525851026.db2.gz KQXYZYBZWMSIQW-UHFFFAOYSA-N -1 3 291.698 2.607 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(Cl)c[nH]3)n[n-]2)o1 ZINC000160360913 525851033 /nfs/dbraw/zinc/85/10/33/525851033.db2.gz KQXYZYBZWMSIQW-UHFFFAOYSA-N -1 3 291.698 2.607 20 70 CFIDHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1[O-] ZINC000159782640 232246104 /nfs/dbraw/zinc/24/61/04/232246104.db2.gz SXJWJGVSPNQESD-KCJUWKMLSA-N -1 3 269.728 2.860 20 70 CFIDHM COCCCOc1ccccc1NC([O-])=NOCC(C)C ZINC000159478782 378712662 /nfs/dbraw/zinc/71/26/62/378712662.db2.gz BDUXMEMEBAUUDH-UHFFFAOYSA-N -1 3 296.367 2.811 20 70 CFIDHM COCCCOc1ccccc1NC(=O)[N-]OCC(C)C ZINC000159478782 378712666 /nfs/dbraw/zinc/71/26/66/378712666.db2.gz BDUXMEMEBAUUDH-UHFFFAOYSA-N -1 3 296.367 2.811 20 70 CFIDHM CCC(CC)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160583709 378784883 /nfs/dbraw/zinc/78/48/83/378784883.db2.gz GOMHXEBUVGKQJP-UHFFFAOYSA-N -1 3 268.332 2.767 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)CCc2ccc(F)cc2)n1 ZINC000160982757 378813117 /nfs/dbraw/zinc/81/31/17/378813117.db2.gz ARLSOXGYYZRNEY-UHFFFAOYSA-N -1 3 289.354 2.558 20 70 CFIDHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@H]2CCC[C@@H]2C1 ZINC000159419908 322322336 /nfs/dbraw/zinc/32/23/36/322322336.db2.gz POJZCCSNOMUQBX-VXGBXAGGSA-N -1 3 279.767 2.847 20 70 CFIDHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160329386 322336481 /nfs/dbraw/zinc/33/64/81/322336481.db2.gz RFJICEWRJYSCGA-LRDDRELGSA-N -1 3 296.370 2.933 20 70 CFIDHM Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccn1 ZINC000160557419 322339462 /nfs/dbraw/zinc/33/94/62/322339462.db2.gz ORVQMQWXBUOBCD-UHFFFAOYSA-N -1 3 276.723 2.930 20 70 CFIDHM Cc1cc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)no1 ZINC000160344346 378764823 /nfs/dbraw/zinc/76/48/23/378764823.db2.gz MGDFDOBVQVAMLM-VIFPVBQESA-N -1 3 279.321 2.543 20 70 CFIDHM COCCC1(C(=O)Nc2ccc(C)cc2[O-])CCC1 ZINC000160402767 378770830 /nfs/dbraw/zinc/77/08/30/378770830.db2.gz USMYYVYCKPMZDT-UHFFFAOYSA-N -1 3 263.337 2.846 20 70 CFIDHM CCCCO[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160426622 378772405 /nfs/dbraw/zinc/77/24/05/378772405.db2.gz WCOGKIQJYHTKLJ-SNVBAGLBSA-N -1 3 292.339 2.517 20 70 CFIDHM CCCCO[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160426622 378772415 /nfs/dbraw/zinc/77/24/15/378772415.db2.gz WCOGKIQJYHTKLJ-SNVBAGLBSA-N -1 3 292.339 2.517 20 70 CFIDHM CCCCO[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160426622 378772421 /nfs/dbraw/zinc/77/24/21/378772421.db2.gz WCOGKIQJYHTKLJ-SNVBAGLBSA-N -1 3 292.339 2.517 20 70 CFIDHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CCCC1 ZINC000160814480 378800696 /nfs/dbraw/zinc/80/06/96/378800696.db2.gz WPZRHAARFOJQRI-UHFFFAOYSA-N -1 3 290.289 2.978 20 70 CFIDHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CCCC1 ZINC000160814480 378800702 /nfs/dbraw/zinc/80/07/02/378800702.db2.gz WPZRHAARFOJQRI-UHFFFAOYSA-N -1 3 290.289 2.978 20 70 CFIDHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@@H]2CCC[C@@H]2C1 ZINC000159419769 322322224 /nfs/dbraw/zinc/32/22/24/322322224.db2.gz POJZCCSNOMUQBX-TXEJJXNPSA-N -1 3 279.767 2.847 20 70 CFIDHM CC[C@@H]([N-]S(=O)(=O)c1cccs1)c1nccs1 ZINC000159982028 322331624 /nfs/dbraw/zinc/33/16/24/322331624.db2.gz XGQJMMJRLUYMDR-MRVPVSSYSA-N -1 3 288.419 2.634 20 70 CFIDHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1C=CCCC1 ZINC000160380029 322337496 /nfs/dbraw/zinc/33/74/96/322337496.db2.gz PGVXZYXMYYBKEN-LLVKDONJSA-N -1 3 265.740 2.813 20 70 CFIDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccncc1[O-] ZINC000161503904 525897892 /nfs/dbraw/zinc/89/78/92/525897892.db2.gz GNQGLOXFTJSEOJ-VHSXEESVSA-N -1 3 274.345 2.899 20 70 CFIDHM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000160044453 378744707 /nfs/dbraw/zinc/74/47/07/378744707.db2.gz BJANQQILHMKZSB-GFCCVEGCSA-N -1 3 275.348 2.614 20 70 CFIDHM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000159811671 378731609 /nfs/dbraw/zinc/73/16/09/378731609.db2.gz ZCYZUJCIPFHMPW-CYBMUJFWSA-N -1 3 289.375 2.922 20 70 CFIDHM COc1cc(C(=O)NC2CCCCCC2)cc(OC)c1[O-] ZINC000160815701 378799595 /nfs/dbraw/zinc/79/95/95/378799595.db2.gz CELAIXPPCIECOZ-UHFFFAOYSA-N -1 3 293.363 2.862 20 70 CFIDHM Cc1cc(NC(=O)[N-]OCC(C)C)cnc1Cl ZINC000160898169 378807235 /nfs/dbraw/zinc/80/72/35/378807235.db2.gz JRQCIPVUQHFYAT-UHFFFAOYSA-N -1 3 257.721 2.753 20 70 CFIDHM COc1ccc(F)c(NC([O-])=NOCC(C)C)c1 ZINC000160913951 378809424 /nfs/dbraw/zinc/80/94/24/378809424.db2.gz BNIJNBZXQWXBRD-UHFFFAOYSA-N -1 3 256.277 2.543 20 70 CFIDHM COc1ccc(F)c(NC(=O)[N-]OCC(C)C)c1 ZINC000160913951 378809429 /nfs/dbraw/zinc/80/94/29/378809429.db2.gz BNIJNBZXQWXBRD-UHFFFAOYSA-N -1 3 256.277 2.543 20 70 CFIDHM C[C@H]1CCC[C@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000218211337 397620728 /nfs/dbraw/zinc/62/07/28/397620728.db2.gz YQAVIKUMKFKSCW-QWRGUYRKSA-N -1 3 263.337 2.654 20 70 CFIDHM C[C@H]1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000161462300 322352012 /nfs/dbraw/zinc/35/20/12/322352012.db2.gz QYOFRDXQOWMYOQ-NKWVEPMBSA-N -1 3 276.262 2.588 20 70 CFIDHM C[C@H]1CCC[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000161462300 322352013 /nfs/dbraw/zinc/35/20/13/322352013.db2.gz QYOFRDXQOWMYOQ-NKWVEPMBSA-N -1 3 276.262 2.588 20 70 CFIDHM O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000160044609 378745643 /nfs/dbraw/zinc/74/56/43/378745643.db2.gz BJANQQILHMKZSB-LBPRGKRZSA-N -1 3 275.348 2.614 20 70 CFIDHM CC(C)CON=C([O-])Nc1cnn(Cc2ccccc2)c1 ZINC000160483902 378776568 /nfs/dbraw/zinc/77/65/68/378776568.db2.gz NAUITWIKZLXBLG-UHFFFAOYSA-N -1 3 288.351 2.641 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000160483902 378776572 /nfs/dbraw/zinc/77/65/72/378776572.db2.gz NAUITWIKZLXBLG-UHFFFAOYSA-N -1 3 288.351 2.641 20 70 CFIDHM C[C@H](CC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000160756902 378796803 /nfs/dbraw/zinc/79/68/03/378796803.db2.gz YYFNJIZPUDOIQQ-CYBMUJFWSA-N -1 3 270.332 2.823 20 70 CFIDHM COc1cc(C(=O)N(C)C2CCCCC2)cc(OC)c1[O-] ZINC000161269758 378834398 /nfs/dbraw/zinc/83/43/98/378834398.db2.gz FUAXNROAMWPABQ-UHFFFAOYSA-N -1 3 293.363 2.814 20 70 CFIDHM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1[O-] ZINC000160879990 378805763 /nfs/dbraw/zinc/80/57/63/378805763.db2.gz MBHHSLODDFWRDN-ZYHUDNBSSA-N -1 3 293.363 2.718 20 70 CFIDHM CCCCCCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161286200 378835696 /nfs/dbraw/zinc/83/56/96/378835696.db2.gz WIWDGYREVRPASI-UHFFFAOYSA-N -1 3 281.352 2.720 20 70 CFIDHM COc1cc(C(=O)NCCCC(C)C)cc(OC)c1[O-] ZINC000161426102 378846570 /nfs/dbraw/zinc/84/65/70/378846570.db2.gz MNKRVSKOALKSRY-UHFFFAOYSA-N -1 3 281.352 2.575 20 70 CFIDHM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000218211144 397620799 /nfs/dbraw/zinc/62/07/99/397620799.db2.gz YQAVIKUMKFKSCW-GHMZBOCLSA-N -1 3 263.337 2.654 20 70 CFIDHM O=C(/C=C/c1ccc(Cl)cc1)[N-]OCc1cccnc1 ZINC000160792550 322342873 /nfs/dbraw/zinc/34/28/73/322342873.db2.gz QFJHKEYZQCITCW-VMPITWQZSA-N -1 3 288.734 2.996 20 70 CFIDHM CC[C@H](N[C@@H](C)C(=O)[N-]c1cc(C)no1)c1nccs1 ZINC000161062035 322346866 /nfs/dbraw/zinc/34/68/66/322346866.db2.gz ZFQCRTRNBSHDDA-UWVGGRQHSA-N -1 3 294.380 2.507 20 70 CFIDHM CC[C@@H](N[C@H](C)C(=O)[N-]c1cc(C)no1)c1nccs1 ZINC000161062465 322346928 /nfs/dbraw/zinc/34/69/28/322346928.db2.gz ZFQCRTRNBSHDDA-NXEZZACHSA-N -1 3 294.380 2.507 20 70 CFIDHM Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cnn1C ZINC000161224124 322349395 /nfs/dbraw/zinc/34/93/95/322349395.db2.gz ANRCSGBOXBAGIL-UHFFFAOYSA-N -1 3 299.252 2.705 20 70 CFIDHM COc1cc(C(=O)N[C@H]2CCC[C@H](C)C2)cc(OC)c1[O-] ZINC000161411682 322351492 /nfs/dbraw/zinc/35/14/92/322351492.db2.gz SJILLBNCOHVYKR-JQWIXIFHSA-N -1 3 293.363 2.718 20 70 CFIDHM COc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160381774 525838153 /nfs/dbraw/zinc/83/81/53/525838153.db2.gz CXCCKSIFZOMERX-UHFFFAOYSA-N -1 3 298.302 2.634 20 70 CFIDHM COc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160381774 525838157 /nfs/dbraw/zinc/83/81/57/525838157.db2.gz CXCCKSIFZOMERX-UHFFFAOYSA-N -1 3 298.302 2.634 20 70 CFIDHM COc1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160381774 525838163 /nfs/dbraw/zinc/83/81/63/525838163.db2.gz CXCCKSIFZOMERX-UHFFFAOYSA-N -1 3 298.302 2.634 20 70 CFIDHM CCCC[C@H](COC)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000160410326 188470776 /nfs/dbraw/zinc/47/07/76/188470776.db2.gz SEBHNCCZLXWVPF-GFCCVEGCSA-N -1 3 298.358 2.536 20 70 CFIDHM CCC[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160219848 378758273 /nfs/dbraw/zinc/75/82/73/378758273.db2.gz LZGIVPQQZPAWDO-QMMMGPOBSA-N -1 3 262.313 2.748 20 70 CFIDHM CCC[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160219848 378758277 /nfs/dbraw/zinc/75/82/77/378758277.db2.gz LZGIVPQQZPAWDO-QMMMGPOBSA-N -1 3 262.313 2.748 20 70 CFIDHM CCC[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160219848 378758281 /nfs/dbraw/zinc/75/82/81/378758281.db2.gz LZGIVPQQZPAWDO-QMMMGPOBSA-N -1 3 262.313 2.748 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)CC3CCCC3)[n-]2)o1 ZINC000160186791 378754004 /nfs/dbraw/zinc/75/40/04/378754004.db2.gz NBZCFYYDFFXAHD-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC3CCCC3)n2)o1 ZINC000160186791 378754010 /nfs/dbraw/zinc/75/40/10/378754010.db2.gz NBZCFYYDFFXAHD-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)CC3CCCC3)n[n-]2)o1 ZINC000160186791 378754021 /nfs/dbraw/zinc/75/40/21/378754021.db2.gz NBZCFYYDFFXAHD-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3C=CCC3)[n-]2)o1 ZINC000160435971 378772593 /nfs/dbraw/zinc/77/25/93/378772593.db2.gz WVBJLFPFZYRPHG-JTQLQIEISA-N -1 3 272.308 2.668 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3C=CCC3)n2)o1 ZINC000160435971 378772597 /nfs/dbraw/zinc/77/25/97/378772597.db2.gz WVBJLFPFZYRPHG-JTQLQIEISA-N -1 3 272.308 2.668 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)C[C@H]3C=CCC3)n[n-]2)o1 ZINC000160435971 378772603 /nfs/dbraw/zinc/77/26/03/378772603.db2.gz WVBJLFPFZYRPHG-JTQLQIEISA-N -1 3 272.308 2.668 20 70 CFIDHM CC(C)CON=C([O-])Nc1cnn(-c2ccccc2)c1 ZINC000160485965 378776550 /nfs/dbraw/zinc/77/65/50/378776550.db2.gz XXBBZQWWSFQYQH-UHFFFAOYSA-N -1 3 274.324 2.581 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000160485965 378776555 /nfs/dbraw/zinc/77/65/55/378776555.db2.gz XXBBZQWWSFQYQH-UHFFFAOYSA-N -1 3 274.324 2.581 20 70 CFIDHM O=C([N-]OCc1cccnc1)C12CC3CC(CC(C3)C1)C2 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CCOc1ccc(/C=C/C(=O)[N-]OCc2cccnc2)cc1 ZINC000160717588 322341925 /nfs/dbraw/zinc/34/19/25/322341925.db2.gz VOGQCRLRYKVSNM-JXMROGBWSA-N -1 3 298.342 2.742 20 70 CFIDHM COc1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc(OC)c1[O-] ZINC000161411952 322351473 /nfs/dbraw/zinc/35/14/73/322351473.db2.gz SJILLBNCOHVYKR-CMPLNLGQSA-N -1 3 293.363 2.718 20 70 CFIDHM CC[C@@]1(C)C[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160226776 523728803 /nfs/dbraw/zinc/72/88/03/523728803.db2.gz XNEOIVIDPMNIQZ-XPTSAGLGSA-N -1 3 274.324 2.748 20 70 CFIDHM CC[C@@]1(C)C[C@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160226776 523728812 /nfs/dbraw/zinc/72/88/12/523728812.db2.gz XNEOIVIDPMNIQZ-XPTSAGLGSA-N -1 3 274.324 2.748 20 70 CFIDHM CC[C@@]1(C)C[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160226776 523728823 /nfs/dbraw/zinc/72/88/23/523728823.db2.gz XNEOIVIDPMNIQZ-XPTSAGLGSA-N -1 3 274.324 2.748 20 70 CFIDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000161503534 525878052 /nfs/dbraw/zinc/87/80/52/525878052.db2.gz 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/nfs/dbraw/zinc/79/87/90/378798790.db2.gz TVGNKNOVCIJDGX-UHFFFAOYSA-N -1 3 262.353 2.990 20 70 CFIDHM COc1cc(C(=O)Nc2ccc(C)cc2)cc(OC)c1[O-] ZINC000160709348 322341612 /nfs/dbraw/zinc/34/16/12/322341612.db2.gz LIFBLKACBZVLQT-UHFFFAOYSA-N -1 3 287.315 2.970 20 70 CFIDHM COc1cc(C(=O)Nc2cccc(F)c2)cc(OC)c1[O-] ZINC000160711146 322341863 /nfs/dbraw/zinc/34/18/63/322341863.db2.gz QGLCRFCEOGQIAU-UHFFFAOYSA-N -1 3 291.278 2.801 20 70 CFIDHM COc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1[O-] ZINC000160767644 322342864 /nfs/dbraw/zinc/34/28/64/322342864.db2.gz DAYABRVCMOKWSW-UHFFFAOYSA-N -1 3 299.326 2.612 20 70 CFIDHM CC[C@@H](N[C@@H](C)C(=O)[N-]c1cc(C)no1)c1nccs1 ZINC000161062163 322346918 /nfs/dbraw/zinc/34/69/18/322346918.db2.gz ZFQCRTRNBSHDDA-VHSXEESVSA-N -1 3 294.380 2.507 20 70 CFIDHM CCc1noc(C)c1C[S@](=O)c1ccc([O-])cc1 ZINC000161065203 322346992 /nfs/dbraw/zinc/34/69/92/322346992.db2.gz NIIKKYMEWMJUQI-GOSISDBHSA-N -1 3 265.334 2.559 20 70 CFIDHM C[C@@H]1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 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CCC[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160219715 378758241 /nfs/dbraw/zinc/75/82/41/378758241.db2.gz LZGIVPQQZPAWDO-MRVPVSSYSA-N -1 3 262.313 2.748 20 70 CFIDHM CCC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160219715 378758249 /nfs/dbraw/zinc/75/82/49/378758249.db2.gz LZGIVPQQZPAWDO-MRVPVSSYSA-N -1 3 262.313 2.748 20 70 CFIDHM CCC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160219715 378758254 /nfs/dbraw/zinc/75/82/54/378758254.db2.gz LZGIVPQQZPAWDO-MRVPVSSYSA-N -1 3 262.313 2.748 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1ccc(OCC(C)C)nc1 ZINC000160361691 378766373 /nfs/dbraw/zinc/76/63/73/378766373.db2.gz BVQPCBOCCNBWFN-UHFFFAOYSA-N -1 3 281.356 2.826 20 70 CFIDHM CCCC[C@@H](COC)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000160410199 378770371 /nfs/dbraw/zinc/77/03/71/378770371.db2.gz SEBHNCCZLXWVPF-LBPRGKRZSA-N -1 3 298.358 2.536 20 70 CFIDHM CC[C@@H]1CCCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000160661086 378789174 /nfs/dbraw/zinc/78/91/74/378789174.db2.gz FPXBXXHNDFIMFI-GFCCVEGCSA-N -1 3 293.363 2.814 20 70 CFIDHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000160739123 378794989 /nfs/dbraw/zinc/79/49/89/378794989.db2.gz ARPXUIIXLPZBKH-HUUCEWRRSA-N -1 3 286.306 2.572 20 70 CFIDHM CC(C)(C)OC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000160948314 378811637 /nfs/dbraw/zinc/81/16/37/378811637.db2.gz BCKWIMIDRVPNTL-UHFFFAOYSA-N -1 3 277.364 2.812 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000160756791 322342525 /nfs/dbraw/zinc/34/25/25/322342525.db2.gz SKUYTNJXQNWSIB-WCQYABFASA-N -1 3 263.385 2.755 20 70 CFIDHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1C=CCCC1 ZINC000160379942 322337335 /nfs/dbraw/zinc/33/73/35/322337335.db2.gz PGVXZYXMYYBKEN-NSHDSACASA-N -1 3 265.740 2.813 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000160756901 322342392 /nfs/dbraw/zinc/34/23/92/322342392.db2.gz SKUYTNJXQNWSIB-AAEUAGOBSA-N -1 3 263.385 2.755 20 70 CFIDHM Cc1conc1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000160781869 322342869 /nfs/dbraw/zinc/34/28/69/322342869.db2.gz 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/nfs/dbraw/zinc/85/11/56/525851156.db2.gz ZFFKYKGRBNJWHR-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3sccc3C)n2)o1 ZINC000160185974 525851163 /nfs/dbraw/zinc/85/11/63/525851163.db2.gz ZFFKYKGRBNJWHR-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3sccc3C)n[n-]2)o1 ZINC000160185974 525851168 /nfs/dbraw/zinc/85/11/68/525851168.db2.gz ZFFKYKGRBNJWHR-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)C2CC2)n1 ZINC000160659604 529564451 /nfs/dbraw/zinc/56/44/51/529564451.db2.gz XXDGAIUJYYGFAJ-UHFFFAOYSA-N -1 3 283.375 2.909 20 70 CFIDHM CCc1ccc([O-])c(C(=O)NCCc2cccc(O)c2)c1 ZINC000160242094 348017181 /nfs/dbraw/zinc/01/71/81/348017181.db2.gz UAHLIJKHAZATJV-UHFFFAOYSA-N -1 3 285.343 2.633 20 70 CFIDHM COc1ccc(NC(=O)[N-]OCC(C)C)c(C)c1 ZINC000159907199 378737133 /nfs/dbraw/zinc/73/71/33/378737133.db2.gz ZPWUSVPXHFWCOB-UHFFFAOYSA-N -1 3 252.314 2.713 20 70 CFIDHM CSCCCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160170444 378753542 /nfs/dbraw/zinc/75/35/42/378753542.db2.gz DMJSOXFBGWTDSC-UHFFFAOYSA-N -1 3 294.380 2.845 20 70 CFIDHM CSCCCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160170444 378753543 /nfs/dbraw/zinc/75/35/43/378753543.db2.gz DMJSOXFBGWTDSC-UHFFFAOYSA-N -1 3 294.380 2.845 20 70 CFIDHM CSCCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160170444 378753545 /nfs/dbraw/zinc/75/35/45/378753545.db2.gz DMJSOXFBGWTDSC-UHFFFAOYSA-N -1 3 294.380 2.845 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)C3CCCCC3)[n-]2)o1 ZINC000160420183 378770387 /nfs/dbraw/zinc/77/03/87/378770387.db2.gz AWJFWPDYDCMEMI-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCCCC3)n2)o1 ZINC000160420183 378770392 /nfs/dbraw/zinc/77/03/92/378770392.db2.gz AWJFWPDYDCMEMI-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)C3CCCCC3)n[n-]2)o1 ZINC000160420183 378770393 /nfs/dbraw/zinc/77/03/93/378770393.db2.gz AWJFWPDYDCMEMI-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM CCCCO[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160426491 378771619 /nfs/dbraw/zinc/77/16/19/378771619.db2.gz WCOGKIQJYHTKLJ-JTQLQIEISA-N -1 3 292.339 2.517 20 70 CFIDHM CCCCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160426491 378771625 /nfs/dbraw/zinc/77/16/25/378771625.db2.gz WCOGKIQJYHTKLJ-JTQLQIEISA-N -1 3 292.339 2.517 20 70 CFIDHM CCCCO[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160426491 378771631 /nfs/dbraw/zinc/77/16/31/378771631.db2.gz WCOGKIQJYHTKLJ-JTQLQIEISA-N -1 3 292.339 2.517 20 70 CFIDHM CCc1cc(=O)[n-]c(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000160791219 378798760 /nfs/dbraw/zinc/79/87/60/378798760.db2.gz RDTHENPRNJMOKD-JTQLQIEISA-N -1 3 261.369 2.508 20 70 CFIDHM C[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)O1 ZINC000159894059 322330053 /nfs/dbraw/zinc/33/00/53/322330053.db2.gz CQEJZVWLGMQLQO-CPCISQLKSA-N -1 3 289.253 2.917 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3cccc(C)c3)[n-]2)o1 ZINC000160371395 322336971 /nfs/dbraw/zinc/33/69/71/322336971.db2.gz AGZRZHQDYDRLCF-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cccc(C)c3)n2)o1 ZINC000160371395 322336972 /nfs/dbraw/zinc/33/69/72/322336972.db2.gz AGZRZHQDYDRLCF-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(C)c3)n[n-]2)o1 ZINC000160371395 322336974 /nfs/dbraw/zinc/33/69/74/322336974.db2.gz AGZRZHQDYDRLCF-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)no1 ZINC000160440207 322338055 /nfs/dbraw/zinc/33/80/55/322338055.db2.gz WGIBFPRJADDJED-UHFFFAOYSA-N -1 3 266.684 2.523 20 70 CFIDHM COc1cc(C(=O)Nc2ccc(F)cc2)cc(OC)c1[O-] ZINC000160698664 322341949 /nfs/dbraw/zinc/34/19/49/322341949.db2.gz WEDCTWSONIHSQN-UHFFFAOYSA-N -1 3 291.278 2.801 20 70 CFIDHM COc1cc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc(OC)c1[O-] ZINC000161411558 322351567 /nfs/dbraw/zinc/35/15/67/322351567.db2.gz SJILLBNCOHVYKR-PWSUYJOCSA-N -1 3 293.363 2.718 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccccc3C)[n-]2)o1 ZINC000160271371 525849042 /nfs/dbraw/zinc/84/90/42/525849042.db2.gz GAWNSUWSSBVAIR-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccccc3C)n2)o1 ZINC000160271371 525849050 /nfs/dbraw/zinc/84/90/50/525849050.db2.gz GAWNSUWSSBVAIR-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccccc3C)n[n-]2)o1 ZINC000160271371 525849058 /nfs/dbraw/zinc/84/90/58/525849058.db2.gz GAWNSUWSSBVAIR-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccoc3C)[n-]2)o1 ZINC000160225903 525852661 /nfs/dbraw/zinc/85/26/61/525852661.db2.gz VJEAAWKJKNXCOP-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccoc3C)n2)o1 ZINC000160225903 525852670 /nfs/dbraw/zinc/85/26/70/525852670.db2.gz VJEAAWKJKNXCOP-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3ccoc3C)n[n-]2)o1 ZINC000160225903 525852677 /nfs/dbraw/zinc/85/26/77/525852677.db2.gz VJEAAWKJKNXCOP-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM C[C@@H](OC1CCCCCC1)C(=O)Nc1ncccc1[O-] ZINC000159725114 525900455 /nfs/dbraw/zinc/90/04/55/525900455.db2.gz LRLHFNZQDYUDRZ-LLVKDONJSA-N -1 3 278.352 2.854 20 70 CFIDHM CCC(=O)c1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000160716355 528477230 /nfs/dbraw/zinc/47/72/30/528477230.db2.gz RUQOCNNQOCTVLW-UHFFFAOYSA-N -1 3 294.314 2.803 20 70 CFIDHM CC(C)CON=C([O-])Nc1nnc(C(C)(C)C)s1 ZINC000159425120 378708956 /nfs/dbraw/zinc/70/89/56/378708956.db2.gz WYXVWRUFJDZFGB-UHFFFAOYSA-N -1 3 272.374 2.545 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000159425120 378708961 /nfs/dbraw/zinc/70/89/61/378708961.db2.gz WYXVWRUFJDZFGB-UHFFFAOYSA-N -1 3 272.374 2.545 20 70 CFIDHM CC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCCC1 ZINC000159471454 378712061 /nfs/dbraw/zinc/71/20/61/378712061.db2.gz XUIVCJITDBUUHL-UHFFFAOYSA-N -1 3 280.343 2.911 20 70 CFIDHM COc1ccc(CN(C)Cc2nc(C)ccc2[O-])cc1 ZINC000159853171 378733622 /nfs/dbraw/zinc/73/36/22/378733622.db2.gz VRZPTABKAJMNQS-UHFFFAOYSA-N -1 3 272.348 2.736 20 70 CFIDHM CCCCCOCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160337674 378763324 /nfs/dbraw/zinc/76/33/24/378763324.db2.gz UFHHDANZRSVTGQ-UHFFFAOYSA-N -1 3 292.339 2.518 20 70 CFIDHM CCCCCOCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160337674 378763333 /nfs/dbraw/zinc/76/33/33/378763333.db2.gz UFHHDANZRSVTGQ-UHFFFAOYSA-N -1 3 292.339 2.518 20 70 CFIDHM CCCCCOCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160337674 378763337 /nfs/dbraw/zinc/76/33/37/378763337.db2.gz UFHHDANZRSVTGQ-UHFFFAOYSA-N -1 3 292.339 2.518 20 70 CFIDHM O=C(CCCc1cccs1)[N-]OCc1cccnc1 ZINC000160801525 378800376 /nfs/dbraw/zinc/80/03/76/378800376.db2.gz NLPYPGOFNADWNQ-UHFFFAOYSA-N -1 3 276.361 2.714 20 70 CFIDHM CC[C@H]1CCCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000160661213 378789955 /nfs/dbraw/zinc/78/99/55/378789955.db2.gz FPXBXXHNDFIMFI-LBPRGKRZSA-N -1 3 293.363 2.814 20 70 CFIDHM CC(C)(C)SCCCC(=O)[N-]OCc1cccnc1 ZINC000161065795 378817530 /nfs/dbraw/zinc/81/75/30/378817530.db2.gz UVFYDXXSZCXYRB-UHFFFAOYSA-N -1 3 282.409 2.941 20 70 CFIDHM Cc1cc(C)c2[n-]cc(C(=O)Nc3ccn(C)n3)c(=O)c2c1 ZINC000161380397 378842975 /nfs/dbraw/zinc/84/29/75/378842975.db2.gz NYUAOQBGLKZBBQ-UHFFFAOYSA-N -1 3 296.330 2.543 20 70 CFIDHM CCc1cccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000160505109 322338964 /nfs/dbraw/zinc/33/89/64/322338964.db2.gz AWOJBKZSOBORFR-UHFFFAOYSA-N -1 3 298.268 2.567 20 70 CFIDHM CCc1cccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000160505109 322338968 /nfs/dbraw/zinc/33/89/68/322338968.db2.gz AWOJBKZSOBORFR-UHFFFAOYSA-N -1 3 298.268 2.567 20 70 CFIDHM COC(=O)Cc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000159453983 533768470 /nfs/dbraw/zinc/76/84/70/533768470.db2.gz BWCHUQNGKAQNJS-UHFFFAOYSA-N -1 3 299.326 2.668 20 70 CFIDHM CCc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000161458209 523910008 /nfs/dbraw/zinc/91/00/08/523910008.db2.gz MXZCSWQLTRQZSX-UHFFFAOYSA-N -1 3 298.268 2.567 20 70 CFIDHM CCc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000161458209 523910013 /nfs/dbraw/zinc/91/00/13/523910013.db2.gz MXZCSWQLTRQZSX-UHFFFAOYSA-N -1 3 298.268 2.567 20 70 CFIDHM C[C@]1(CNC(=O)Cc2ccc([O-])cc2Cl)CCCS1 ZINC000160508439 525251581 /nfs/dbraw/zinc/25/15/81/525251581.db2.gz BFEVESATEOPCFV-CQSZACIVSA-N -1 3 299.823 2.990 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)[n-]2)o1 ZINC000160258268 525852773 /nfs/dbraw/zinc/85/27/73/525852773.db2.gz WCSMOGYMUQZSMZ-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(C)c3)n2)o1 ZINC000160258268 525852782 /nfs/dbraw/zinc/85/27/82/525852782.db2.gz WCSMOGYMUQZSMZ-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3)n[n-]2)o1 ZINC000160258268 525852787 /nfs/dbraw/zinc/85/27/87/525852787.db2.gz WCSMOGYMUQZSMZ-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3)[n-]2)o1 ZINC000160240865 525853737 /nfs/dbraw/zinc/85/37/37/525853737.db2.gz LRHUFQSITJNFPB-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)cc3)n2)o1 ZINC000160240865 525853745 /nfs/dbraw/zinc/85/37/45/525853745.db2.gz LRHUFQSITJNFPB-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)n[n-]2)o1 ZINC000160240865 525853755 /nfs/dbraw/zinc/85/37/55/525853755.db2.gz LRHUFQSITJNFPB-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM O=C(Cc1ccc([O-])cc1Cl)N1CCC2(CCC2)C1 ZINC000160521521 527239939 /nfs/dbraw/zinc/23/99/39/527239939.db2.gz AEZMURIGYMQMOH-UHFFFAOYSA-N -1 3 279.767 2.991 20 70 CFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000160583736 529565144 /nfs/dbraw/zinc/56/51/44/529565144.db2.gz JXCGOQWREGNEEW-OCCSQVGLSA-N -1 3 275.396 2.899 20 70 CFIDHM O=S(=O)([N-]CC1(C2CC2)CC1)c1ccc(Cl)s1 ZINC000160137538 232247260 /nfs/dbraw/zinc/24/72/60/232247260.db2.gz MKYWPABGVOCXPH-UHFFFAOYSA-N -1 3 291.825 2.870 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000160029109 378743739 /nfs/dbraw/zinc/74/37/39/378743739.db2.gz XFOGOJPBUYPBBN-UHFFFAOYSA-N -1 3 288.351 2.796 20 70 CFIDHM COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1[O-] ZINC000160734925 378794645 /nfs/dbraw/zinc/79/46/45/378794645.db2.gz DKZYRNRYCVDLRJ-QWRGUYRKSA-N -1 3 293.363 2.528 20 70 CFIDHM COc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@H](C)C2)c1 ZINC000218012453 397620968 /nfs/dbraw/zinc/62/09/68/397620968.db2.gz KXBGKEMJCZDVEC-RYUDHWBXSA-N -1 3 277.364 2.957 20 70 CFIDHM COc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H](C)C2)c1 ZINC000218012370 280932328 /nfs/dbraw/zinc/93/23/28/280932328.db2.gz KXBGKEMJCZDVEC-NWDGAFQWSA-N -1 3 277.364 2.957 20 70 CFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2Cc2ccccc2)n1 ZINC000160654410 322341269 /nfs/dbraw/zinc/34/12/69/322341269.db2.gz WAQZAGSUGANUEJ-MRXNPFEDSA-N -1 3 297.402 2.952 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(CC)C2CCCCC2)n1 ZINC000160764626 322343034 /nfs/dbraw/zinc/34/30/34/322343034.db2.gz ZMOSMYPQZTYBSE-UHFFFAOYSA-N -1 3 263.385 2.899 20 70 CFIDHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccn1 ZINC000161122927 524988407 /nfs/dbraw/zinc/98/84/07/524988407.db2.gz LNYIOQNUMKRUPU-JTQLQIEISA-N -1 3 290.750 2.861 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)oc3C)[n-]2)o1 ZINC000160379061 525853548 /nfs/dbraw/zinc/85/35/48/525853548.db2.gz IWPJKKVNWAQRJJ-UHFFFAOYSA-N -1 3 286.291 2.835 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)oc3C)n2)o1 ZINC000160379061 525853556 /nfs/dbraw/zinc/85/35/56/525853556.db2.gz IWPJKKVNWAQRJJ-UHFFFAOYSA-N -1 3 286.291 2.835 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)oc3C)n[n-]2)o1 ZINC000160379061 525853580 /nfs/dbraw/zinc/85/35/80/525853580.db2.gz IWPJKKVNWAQRJJ-UHFFFAOYSA-N -1 3 286.291 2.835 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(Cc2cccs2)C2CC2)n1 ZINC000160754488 529564757 /nfs/dbraw/zinc/56/47/57/529564757.db2.gz DFJVFLRJPHMIES-UHFFFAOYSA-N -1 3 289.404 2.971 20 70 CFIDHM O=C(N[C@@H]1CCCc2sccc21)c1ccc(O)cc1[O-] ZINC000160395068 232248440 /nfs/dbraw/zinc/24/84/40/232248440.db2.gz UEFPNYOLPFJCKZ-GFCCVEGCSA-N -1 3 289.356 2.967 20 70 CFIDHM Cc1nc(-c2cccc(NC(=O)[N-]OCC(C)C)c2)no1 ZINC000159589361 378718452 /nfs/dbraw/zinc/71/84/52/378718452.db2.gz JHPGRAOHDOCCLD-UHFFFAOYSA-N -1 3 290.323 2.754 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CC=CCC3)[n-]2)o1 ZINC000160399431 378769070 /nfs/dbraw/zinc/76/90/70/378769070.db2.gz OKGOUYOEVBFTJW-SNVBAGLBSA-N -1 3 272.308 2.668 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CC=CCC3)n2)o1 ZINC000160399431 378769076 /nfs/dbraw/zinc/76/90/76/378769076.db2.gz OKGOUYOEVBFTJW-SNVBAGLBSA-N -1 3 272.308 2.668 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CC=CCC3)n[n-]2)o1 ZINC000160399431 378769082 /nfs/dbraw/zinc/76/90/82/378769082.db2.gz OKGOUYOEVBFTJW-SNVBAGLBSA-N -1 3 272.308 2.668 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(C)cc2)n1 ZINC000160522593 378779114 /nfs/dbraw/zinc/77/91/14/378779114.db2.gz VXQJXYFBCDFWKV-UHFFFAOYSA-N -1 3 271.364 2.685 20 70 CFIDHM Cc1ccc([O-])c(CN(C)Cc2ccccc2F)n1 ZINC000160726214 378792927 /nfs/dbraw/zinc/79/29/27/378792927.db2.gz JXLODFDAVLHBEQ-UHFFFAOYSA-N -1 3 260.312 2.867 20 70 CFIDHM O=C([N-]OCc1cccnc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000160739244 378795113 /nfs/dbraw/zinc/79/51/13/378795113.db2.gz ARPXUIIXLPZBKH-CABCVRRESA-N -1 3 286.306 2.572 20 70 CFIDHM COc1ccc(CCCC(=O)[N-]OCC(C)C)c(OC)c1 ZINC000161265087 378833670 /nfs/dbraw/zinc/83/36/70/378833670.db2.gz RPIAKTVTAZCVJH-UHFFFAOYSA-N -1 3 295.379 2.730 20 70 CFIDHM C[C@@H]1CCC[C@@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000161483047 378850766 /nfs/dbraw/zinc/85/07/66/378850766.db2.gz OGPYYEBIRYVPNN-GHMZBOCLSA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000161483047 378850771 /nfs/dbraw/zinc/85/07/71/378850771.db2.gz OGPYYEBIRYVPNN-GHMZBOCLSA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000161483047 378850777 /nfs/dbraw/zinc/85/07/77/378850777.db2.gz OGPYYEBIRYVPNN-GHMZBOCLSA-N -1 3 285.351 2.632 20 70 CFIDHM CC1CCC(CNC(=O)c2ccc(O)cc2[O-])CC1 ZINC000218213070 397620782 /nfs/dbraw/zinc/62/07/82/397620782.db2.gz SLJSIQXMXHVIRE-UHFFFAOYSA-N -1 3 263.337 2.654 20 70 CFIDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCCO1 ZINC000160233186 322335003 /nfs/dbraw/zinc/33/50/03/322335003.db2.gz WTNRQRPEPOICSX-LLVKDONJSA-N -1 3 289.253 2.919 20 70 CFIDHM COc1cc(C(=O)Nc2cccc(C)c2)cc(OC)c1[O-] ZINC000160687090 322341001 /nfs/dbraw/zinc/34/10/01/322341001.db2.gz YNHGZMPGMSBRRP-UHFFFAOYSA-N -1 3 287.315 2.970 20 70 CFIDHM Cc1ccc(C(=O)NCCc2cccc(O)c2)c([O-])c1C ZINC000160177386 534266319 /nfs/dbraw/zinc/26/63/19/534266319.db2.gz DTZCZTZRIHAOJL-UHFFFAOYSA-N -1 3 285.343 2.687 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3cccnc3)[n-]2)o1 ZINC000160259692 525846669 /nfs/dbraw/zinc/84/66/69/525846669.db2.gz UCCSOSLSKQZDLQ-JTQLQIEISA-N -1 3 297.318 2.510 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3cccnc3)n2)o1 ZINC000160259692 525846680 /nfs/dbraw/zinc/84/66/80/525846680.db2.gz UCCSOSLSKQZDLQ-JTQLQIEISA-N -1 3 297.318 2.510 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3cccnc3)n[n-]2)o1 ZINC000160259692 525846692 /nfs/dbraw/zinc/84/66/92/525846692.db2.gz UCCSOSLSKQZDLQ-JTQLQIEISA-N -1 3 297.318 2.510 20 70 CFIDHM COc1c(F)cc(NC(=O)[N-]OCC(C)C)cc1F ZINC000159417055 378709362 /nfs/dbraw/zinc/70/93/62/378709362.db2.gz MEFGMYSUTJVBAK-UHFFFAOYSA-N -1 3 274.267 2.683 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1ccc2c(c1)CCCN2C ZINC000159596021 378719043 /nfs/dbraw/zinc/71/90/43/378719043.db2.gz FPQFVJAZELPDPQ-UHFFFAOYSA-N -1 3 277.368 2.778 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)CCC(C)C)[n-]2)o1 ZINC000160286420 378762357 /nfs/dbraw/zinc/76/23/57/378762357.db2.gz BGGXKIWUYUFWLM-UHFFFAOYSA-N -1 3 262.313 2.748 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCC(C)C)n2)o1 ZINC000160286420 378762359 /nfs/dbraw/zinc/76/23/59/378762359.db2.gz BGGXKIWUYUFWLM-UHFFFAOYSA-N -1 3 262.313 2.748 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)CCC(C)C)n[n-]2)o1 ZINC000160286420 378762362 /nfs/dbraw/zinc/76/23/62/378762362.db2.gz BGGXKIWUYUFWLM-UHFFFAOYSA-N -1 3 262.313 2.748 20 70 CFIDHM COCCC1(C(=O)Nc2ccccc2[O-])CCCC1 ZINC000160953136 378811665 /nfs/dbraw/zinc/81/16/65/378811665.db2.gz BFMQGDSHYKXYQS-UHFFFAOYSA-N -1 3 263.337 2.928 20 70 CFIDHM CC(C)CON=C([O-])Nc1ccccc1O[C@H]1CCOC1 ZINC000160994234 378814489 /nfs/dbraw/zinc/81/44/89/378814489.db2.gz JNSQTZYJZVFNLO-LBPRGKRZSA-N -1 3 294.351 2.563 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000160994234 378814498 /nfs/dbraw/zinc/81/44/98/378814498.db2.gz JNSQTZYJZVFNLO-LBPRGKRZSA-N -1 3 294.351 2.563 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccco3)[n-]2)o1 ZINC000160354767 525847215 /nfs/dbraw/zinc/84/72/15/525847215.db2.gz SAVRZDJDBXRQDD-VHSXEESVSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccco3)n2)o1 ZINC000160354767 525847228 /nfs/dbraw/zinc/84/72/28/525847228.db2.gz SAVRZDJDBXRQDD-VHSXEESVSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3ccco3)n[n-]2)o1 ZINC000160354767 525847241 /nfs/dbraw/zinc/84/72/41/525847241.db2.gz SAVRZDJDBXRQDD-VHSXEESVSA-N -1 3 298.302 2.708 20 70 CFIDHM O=C(Cc1ccc2c(c1)CCCC2)[N-]OCc1cccnc1 ZINC000160811114 188492859 /nfs/dbraw/zinc/49/28/59/188492859.db2.gz FIXUTHMSSXDYBU-UHFFFAOYSA-N -1 3 296.370 2.751 20 70 CFIDHM O=C(CC1CCSCC1)NCc1ccc([O-])c(F)c1 ZINC000161020885 541516360 /nfs/dbraw/zinc/51/63/60/541516360.db2.gz WUTUKNVTGKVKIP-UHFFFAOYSA-N -1 3 283.368 2.681 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2cccs2)n1 ZINC000160880285 378805965 /nfs/dbraw/zinc/80/59/65/378805965.db2.gz ZLIZWYCUFWNHFM-SNVBAGLBSA-N -1 3 277.393 2.999 20 70 CFIDHM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1[O-] ZINC000160879861 378806172 /nfs/dbraw/zinc/80/61/72/378806172.db2.gz MBHHSLODDFWRDN-JQWIXIFHSA-N -1 3 293.363 2.718 20 70 CFIDHM Cc1ccc(NC(=O)c2cnc(C(F)(F)F)nc2)c([O-])c1 ZINC000159554147 322324001 /nfs/dbraw/zinc/32/40/01/322324001.db2.gz NUEDNSGUPQIRHI-UHFFFAOYSA-N -1 3 297.236 2.762 20 70 CFIDHM CCOc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000159373329 378705407 /nfs/dbraw/zinc/70/54/07/378705407.db2.gz KIHWAOPKIKOHMM-UHFFFAOYSA-N -1 3 252.314 2.794 20 70 CFIDHM CCOCc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000159851142 378733935 /nfs/dbraw/zinc/73/39/35/378733935.db2.gz SLMXWBQOMMARMM-UHFFFAOYSA-N -1 3 266.341 2.932 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccccc2C)n1 ZINC000160521614 378779055 /nfs/dbraw/zinc/77/90/55/378779055.db2.gz VDMKNOKCXBXWCI-UHFFFAOYSA-N -1 3 271.364 2.685 20 70 CFIDHM CCC(=O)c1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000161205929 378831675 /nfs/dbraw/zinc/83/16/75/378831675.db2.gz MLRHHTDVWBJVNT-UHFFFAOYSA-N -1 3 264.325 2.988 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000161121041 378822708 /nfs/dbraw/zinc/82/27/08/378822708.db2.gz JCHFQGUYSQTOHN-UHFFFAOYSA-N -1 3 292.339 2.603 20 70 CFIDHM Cc1ccc(-c2cc(C(=O)Nc3ncccc3[O-])n[nH]2)cc1 ZINC000217793481 525730265 /nfs/dbraw/zinc/73/02/65/525730265.db2.gz HTOZOPYGJHTOBQ-UHFFFAOYSA-N -1 3 294.314 2.738 20 70 CFIDHM Cc1nc(C)c(-c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000159478706 378712681 /nfs/dbraw/zinc/71/26/81/378712681.db2.gz OVGQKGFRYRSKQC-UHFFFAOYSA-N -1 3 257.249 2.714 20 70 CFIDHM CCc1ccc(CCC(=O)[N-]OCc2cccnc2)cc1 ZINC000160862091 378803637 /nfs/dbraw/zinc/80/36/37/378803637.db2.gz SFTDERAPAWYYMR-UHFFFAOYSA-N -1 3 284.359 2.825 20 70 CFIDHM COc1cc(C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1[O-] ZINC000160879729 378806477 /nfs/dbraw/zinc/80/64/77/378806477.db2.gz MBHHSLODDFWRDN-PWSUYJOCSA-N -1 3 293.363 2.718 20 70 CFIDHM CC(C)CON=C([O-])Nc1cnn(-c2ccccc2F)c1 ZINC000160919233 378809122 /nfs/dbraw/zinc/80/91/22/378809122.db2.gz ATYMHGPAKDBHQB-UHFFFAOYSA-N -1 3 292.314 2.721 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000160919233 378809127 /nfs/dbraw/zinc/80/91/27/378809127.db2.gz ATYMHGPAKDBHQB-UHFFFAOYSA-N -1 3 292.314 2.721 20 70 CFIDHM O=S(=O)(CCC1CC1)[N-]c1c(F)c(F)cc(F)c1F ZINC000160974472 378813688 /nfs/dbraw/zinc/81/36/88/378813688.db2.gz QTXLBSNWESUDKZ-UHFFFAOYSA-N -1 3 297.273 2.785 20 70 CFIDHM C[C@H]1CCC[C@@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000161483162 378851646 /nfs/dbraw/zinc/85/16/46/378851646.db2.gz OGPYYEBIRYVPNN-WDEREUQCSA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000161483162 378851651 /nfs/dbraw/zinc/85/16/51/378851651.db2.gz OGPYYEBIRYVPNN-WDEREUQCSA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000161483162 378851654 /nfs/dbraw/zinc/85/16/54/378851654.db2.gz OGPYYEBIRYVPNN-WDEREUQCSA-N -1 3 285.351 2.632 20 70 CFIDHM COc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 ZINC000218012197 397620984 /nfs/dbraw/zinc/62/09/84/397620984.db2.gz KXBGKEMJCZDVEC-VXGBXAGGSA-N -1 3 277.364 2.957 20 70 CFIDHM COc1ccc(C)cc1/C=C/C(=O)[N-]OCc1cccnc1 ZINC000160716077 322341760 /nfs/dbraw/zinc/34/17/60/322341760.db2.gz KPQJVSOMKQTNJU-SOFGYWHQSA-N -1 3 298.342 2.660 20 70 CFIDHM Cc1conc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160781738 322342929 /nfs/dbraw/zinc/34/29/29/322342929.db2.gz ZEXRYSQFDZCSBF-VIFPVBQESA-N -1 3 279.321 2.543 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3c3ccco3)[n-]2)o1 ZINC000160354890 525852983 /nfs/dbraw/zinc/85/29/83/525852983.db2.gz SAVRZDJDBXRQDD-UWVGGRQHSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3c3ccco3)n2)o1 ZINC000160354890 525852989 /nfs/dbraw/zinc/85/29/89/525852989.db2.gz SAVRZDJDBXRQDD-UWVGGRQHSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3ccco3)n[n-]2)o1 ZINC000160354890 525852996 /nfs/dbraw/zinc/85/29/96/525852996.db2.gz SAVRZDJDBXRQDD-UWVGGRQHSA-N -1 3 298.302 2.708 20 70 CFIDHM CO[N-]C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000160095245 378748895 /nfs/dbraw/zinc/74/88/95/378748895.db2.gz ZIIALRSJEUIPBW-QMMMGPOBSA-N -1 3 272.142 2.620 20 70 CFIDHM CC(C)c1csc(CNC(=O)c2ccccc2[O-])n1 ZINC000160574540 378783180 /nfs/dbraw/zinc/78/31/80/378783180.db2.gz HLKWOPYILQHHAT-UHFFFAOYSA-N -1 3 276.361 2.902 20 70 CFIDHM COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1[O-] ZINC000160735035 378795373 /nfs/dbraw/zinc/79/53/73/378795373.db2.gz DKZYRNRYCVDLRJ-GHMZBOCLSA-N -1 3 293.363 2.528 20 70 CFIDHM COc1cccc(C(=O)NCCC2=CCCC2)c1[O-] ZINC000160239477 378758406 /nfs/dbraw/zinc/75/84/06/378758406.db2.gz KBCKSZUNQOXVNN-UHFFFAOYSA-N -1 3 261.321 2.631 20 70 CFIDHM COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1[O-] ZINC000161224226 378831580 /nfs/dbraw/zinc/83/15/80/378831580.db2.gz AYYYQMOVECGJOE-UHFFFAOYSA-N -1 3 293.363 2.816 20 70 CFIDHM COc1cc(OC)c(NC([O-])=NOCC(C)C)cc1F ZINC000160903758 378807425 /nfs/dbraw/zinc/80/74/25/378807425.db2.gz UILDHEWBCHHVSZ-UHFFFAOYSA-N -1 3 286.303 2.552 20 70 CFIDHM COc1cc(OC)c(NC(=O)[N-]OCC(C)C)cc1F ZINC000160903758 378807429 /nfs/dbraw/zinc/80/74/29/378807429.db2.gz UILDHEWBCHHVSZ-UHFFFAOYSA-N -1 3 286.303 2.552 20 70 CFIDHM Cc1nc2cc(NC(=O)[N-]OCC(C)C)ccc2o1 ZINC000161101778 378821838 /nfs/dbraw/zinc/82/18/38/378821838.db2.gz XJORKURGBUPFKR-UHFFFAOYSA-N -1 3 263.297 2.845 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(CC)Cc2cccc(F)c2)n1 ZINC000160563034 322339423 /nfs/dbraw/zinc/33/94/23/322339423.db2.gz QGFBOUKLSXAVFM-UHFFFAOYSA-N -1 3 289.354 2.906 20 70 CFIDHM Cc1cccc(/C=C/C(=O)[N-]OCc2cccnc2)c1 ZINC000160834324 322343524 /nfs/dbraw/zinc/34/35/24/322343524.db2.gz FPZQMIADUUBHNT-BQYQJAHWSA-N -1 3 268.316 2.651 20 70 CFIDHM Cc1ccc([O-])c(CN(C)Cc2ccc(F)cc2)n1 ZINC000161143481 322347980 /nfs/dbraw/zinc/34/79/80/322347980.db2.gz NOCFUSFOXQXISW-UHFFFAOYSA-N -1 3 260.312 2.867 20 70 CFIDHM CC[C@]1(C)C[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160226640 523597562 /nfs/dbraw/zinc/59/75/62/523597562.db2.gz XNEOIVIDPMNIQZ-LKFCYVNXSA-N -1 3 274.324 2.748 20 70 CFIDHM CC[C@]1(C)C[C@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160226640 523597572 /nfs/dbraw/zinc/59/75/72/523597572.db2.gz XNEOIVIDPMNIQZ-LKFCYVNXSA-N -1 3 274.324 2.748 20 70 CFIDHM CC[C@]1(C)C[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160226640 523597585 /nfs/dbraw/zinc/59/75/85/523597585.db2.gz XNEOIVIDPMNIQZ-LKFCYVNXSA-N -1 3 274.324 2.748 20 70 CFIDHM O=C(N[C@H]1CCCc2sccc21)c1ccc(O)cc1[O-] ZINC000160395191 534806836 /nfs/dbraw/zinc/80/68/36/534806836.db2.gz UEFPNYOLPFJCKZ-LBPRGKRZSA-N -1 3 289.356 2.967 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3c3ccco3)[n-]2)o1 ZINC000160355162 525853499 /nfs/dbraw/zinc/85/34/99/525853499.db2.gz SAVRZDJDBXRQDD-ZJUUUORDSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3c3ccco3)n2)o1 ZINC000160355162 525853508 /nfs/dbraw/zinc/85/35/08/525853508.db2.gz SAVRZDJDBXRQDD-ZJUUUORDSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3ccco3)n[n-]2)o1 ZINC000160355162 525853513 /nfs/dbraw/zinc/85/35/13/525853513.db2.gz SAVRZDJDBXRQDD-ZJUUUORDSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([O-])c1 ZINC000159545195 232244359 /nfs/dbraw/zinc/24/43/59/232244359.db2.gz HLWLYPVPOMFWCQ-HYVNUMGLSA-N -1 3 279.339 2.769 20 70 CFIDHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CC[C@H](C)O2)c1[O-] ZINC000159782383 232245575 /nfs/dbraw/zinc/24/55/75/232245575.db2.gz SXJWJGVSPNQESD-KWQFWETISA-N -1 3 269.728 2.860 20 70 CFIDHM Cc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000159920672 378738389 /nfs/dbraw/zinc/73/83/89/378738389.db2.gz DTASHJCEXKGFOU-ZDUSSCGKSA-N -1 3 289.375 2.922 20 70 CFIDHM COc1cc(C(=O)N[C@H](C)CCC(C)C)cc(OC)c1[O-] ZINC000161286748 378835655 /nfs/dbraw/zinc/83/56/55/378835655.db2.gz CBCWVTYZVXCTIC-LLVKDONJSA-N -1 3 295.379 2.964 20 70 CFIDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCC3)c(=O)c2c1 ZINC000161143358 378826232 /nfs/dbraw/zinc/82/62/32/378826232.db2.gz OOVHMPIMMPPRNW-UHFFFAOYSA-N -1 3 270.332 2.793 20 70 CFIDHM COc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000218009998 397620673 /nfs/dbraw/zinc/62/06/73/397620673.db2.gz YIJQXUDQTUVXPY-NWDGAFQWSA-N -1 3 277.364 2.957 20 70 CFIDHM CCCC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000160629835 322340567 /nfs/dbraw/zinc/34/05/67/322340567.db2.gz IRZVABXPXFEVIF-UHFFFAOYSA-N -1 3 284.359 2.838 20 70 CFIDHM C[C@H]1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000161462048 322351685 /nfs/dbraw/zinc/35/16/85/322351685.db2.gz QYOFRDXQOWMYOQ-BQBZGAKWSA-N -1 3 276.262 2.588 20 70 CFIDHM C[C@H]1CCC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000161462048 322351687 /nfs/dbraw/zinc/35/16/87/322351687.db2.gz QYOFRDXQOWMYOQ-BQBZGAKWSA-N -1 3 276.262 2.588 20 70 CFIDHM C[C@@H]1CC[C@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000160405313 524654152 /nfs/dbraw/zinc/65/41/52/524654152.db2.gz JDOQDRHGMDFJHQ-AOOOYVTPSA-N -1 3 267.756 2.988 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(C)cc3)[n-]2)o1 ZINC000160436354 525848526 /nfs/dbraw/zinc/84/85/26/525848526.db2.gz WWCJXZXJDFUWMB-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(C)cc3)n2)o1 ZINC000160436354 525848533 /nfs/dbraw/zinc/84/85/33/525848533.db2.gz WWCJXZXJDFUWMB-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(C)cc3)n[n-]2)o1 ZINC000160436354 525848538 /nfs/dbraw/zinc/84/85/38/525848538.db2.gz WWCJXZXJDFUWMB-UHFFFAOYSA-N -1 3 296.330 2.863 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3ccco3)[n-]2)o1 ZINC000160355032 525850704 /nfs/dbraw/zinc/85/07/04/525850704.db2.gz SAVRZDJDBXRQDD-NXEZZACHSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccco3)n2)o1 ZINC000160355032 525850710 /nfs/dbraw/zinc/85/07/10/525850710.db2.gz SAVRZDJDBXRQDD-NXEZZACHSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3ccco3)n[n-]2)o1 ZINC000160355032 525850721 /nfs/dbraw/zinc/85/07/21/525850721.db2.gz SAVRZDJDBXRQDD-NXEZZACHSA-N -1 3 298.302 2.708 20 70 CFIDHM Cc1ccc(F)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1 ZINC000160141559 232247861 /nfs/dbraw/zinc/24/78/61/232247861.db2.gz XNRPABHIZGOPBG-UHFFFAOYSA-N -1 3 283.368 2.603 20 70 CFIDHM C[C@@H](CNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000217485154 280931898 /nfs/dbraw/zinc/93/18/98/280931898.db2.gz GAXJBXLFQISEEK-NSHDSACASA-N -1 3 271.316 2.631 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C2CC2)C2CCCC2)n1 ZINC000160780426 322343053 /nfs/dbraw/zinc/34/30/53/322343053.db2.gz HMSZUGZWUBFLRR-UHFFFAOYSA-N -1 3 261.369 2.652 20 70 CFIDHM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc(OC)c1[O-] ZINC000161411811 322351459 /nfs/dbraw/zinc/35/14/59/322351459.db2.gz SJILLBNCOHVYKR-ZYHUDNBSSA-N -1 3 293.363 2.718 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H](C)C(C)C)[n-]2)o1 ZINC000160212343 525849925 /nfs/dbraw/zinc/84/99/25/525849925.db2.gz HVBSMWAIYQTKMO-VIFPVBQESA-N -1 3 276.340 2.994 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H](C)C(C)C)n2)o1 ZINC000160212343 525849935 /nfs/dbraw/zinc/84/99/35/525849935.db2.gz HVBSMWAIYQTKMO-VIFPVBQESA-N -1 3 276.340 2.994 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)C[C@H](C)C(C)C)n[n-]2)o1 ZINC000160212343 525849942 /nfs/dbraw/zinc/84/99/42/525849942.db2.gz HVBSMWAIYQTKMO-VIFPVBQESA-N -1 3 276.340 2.994 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)s3)[n-]2)o1 ZINC000160400389 525851637 /nfs/dbraw/zinc/85/16/37/525851637.db2.gz HZADUEVCHVCNBJ-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)s3)n2)o1 ZINC000160400389 525851643 /nfs/dbraw/zinc/85/16/43/525851643.db2.gz HZADUEVCHVCNBJ-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)s3)n[n-]2)o1 ZINC000160400389 525851653 /nfs/dbraw/zinc/85/16/53/525851653.db2.gz HZADUEVCHVCNBJ-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM COc1ccc([O-])c(C(=O)NCc2ccc(C)c(F)c2)c1 ZINC000216913667 539627718 /nfs/dbraw/zinc/62/77/18/539627718.db2.gz ZKSQIQNMGYABCI-UHFFFAOYSA-N -1 3 289.306 2.778 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000159542768 188430925 /nfs/dbraw/zinc/43/09/25/188430925.db2.gz ULTJTXRNLKXBFP-UHFFFAOYSA-N -1 3 292.364 2.914 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000159363065 378705779 /nfs/dbraw/zinc/70/57/79/378705779.db2.gz PXJVMSXUTAUNPT-UHFFFAOYSA-N -1 3 293.367 2.534 20 70 CFIDHM C[C@@H]1CC[C@@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000160405576 378770013 /nfs/dbraw/zinc/77/00/13/378770013.db2.gz JDOQDRHGMDFJHQ-NXEZZACHSA-N -1 3 267.756 2.988 20 70 CFIDHM COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000218009835 280931922 /nfs/dbraw/zinc/93/19/22/280931922.db2.gz YIJQXUDQTUVXPY-VXGBXAGGSA-N -1 3 277.364 2.957 20 70 CFIDHM COC(=O)Cc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000159454409 533768642 /nfs/dbraw/zinc/76/86/42/533768642.db2.gz ZXAMOJRVWQLPOE-UHFFFAOYSA-N -1 3 299.326 2.668 20 70 CFIDHM O=C(NCCc1cc2ccccc2[nH]1)c1ccccc1[O-] ZINC000159672026 534443765 /nfs/dbraw/zinc/44/37/65/534443765.db2.gz LDNNOWQHRGINCE-UHFFFAOYSA-N -1 3 280.327 2.846 20 70 CFIDHM Cc1cccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1[O-] ZINC000159545756 534618497 /nfs/dbraw/zinc/61/84/97/534618497.db2.gz ILVTZPJAZMZBFN-OWCLPIDISA-N -1 3 279.339 2.769 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3cscc3C)[n-]2)o1 ZINC000160310575 525852011 /nfs/dbraw/zinc/85/20/11/525852011.db2.gz XMQHQPIOZFJNTB-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cscc3C)n2)o1 ZINC000160310575 525852016 /nfs/dbraw/zinc/85/20/16/525852016.db2.gz XMQHQPIOZFJNTB-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3cscc3C)n[n-]2)o1 ZINC000160310575 525852027 /nfs/dbraw/zinc/85/20/27/525852027.db2.gz XMQHQPIOZFJNTB-UHFFFAOYSA-N -1 3 288.332 2.995 20 70 CFIDHM COc1cc(NC(=O)c2cccc([O-])c2)ccc1F ZINC000160406322 188471306 /nfs/dbraw/zinc/47/13/06/188471306.db2.gz MSWHJGYHXMENBU-UHFFFAOYSA-N -1 3 261.252 2.792 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1cccc(N2CCCC2)c1 ZINC000159628213 378721404 /nfs/dbraw/zinc/72/14/04/378721404.db2.gz RMDYFUVGQRWAEU-UHFFFAOYSA-N -1 3 277.368 2.996 20 70 CFIDHM COCCN(Cc1ccccc1)Cc1nc(C)ccc1[O-] ZINC000160441340 378772122 /nfs/dbraw/zinc/77/21/22/378772122.db2.gz WIDAYTPTUJVMJT-UHFFFAOYSA-N -1 3 286.375 2.744 20 70 CFIDHM C[C@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000161482914 378851207 /nfs/dbraw/zinc/85/12/07/378851207.db2.gz OGPYYEBIRYVPNN-QWRGUYRKSA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000161482914 378851212 /nfs/dbraw/zinc/85/12/12/378851212.db2.gz OGPYYEBIRYVPNN-QWRGUYRKSA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000161482914 378851219 /nfs/dbraw/zinc/85/12/19/378851219.db2.gz OGPYYEBIRYVPNN-QWRGUYRKSA-N -1 3 285.351 2.632 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)C3CCCC3)[n-]2)o1 ZINC000160344963 378765544 /nfs/dbraw/zinc/76/55/44/378765544.db2.gz YYHIRPPBRRLIGB-UHFFFAOYSA-N -1 3 260.297 2.502 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCCC3)n2)o1 ZINC000160344963 378765547 /nfs/dbraw/zinc/76/55/47/378765547.db2.gz YYHIRPPBRRLIGB-UHFFFAOYSA-N -1 3 260.297 2.502 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)C3CCCC3)n[n-]2)o1 ZINC000160344963 378765551 /nfs/dbraw/zinc/76/55/51/378765551.db2.gz YYHIRPPBRRLIGB-UHFFFAOYSA-N -1 3 260.297 2.502 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)C3[C@@H]4CCCC[C@H]34)[n-]2)o1 ZINC000160382807 378768123 /nfs/dbraw/zinc/76/81/23/378768123.db2.gz MJWZVSLLIQZWDD-DHHPTOIESA-N -1 3 286.335 2.748 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3[C@@H]4CCCC[C@H]34)n2)o1 ZINC000160382807 378768130 /nfs/dbraw/zinc/76/81/30/378768130.db2.gz MJWZVSLLIQZWDD-DHHPTOIESA-N -1 3 286.335 2.748 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)C3[C@@H]4CCCC[C@H]34)n[n-]2)o1 ZINC000160382807 378768139 /nfs/dbraw/zinc/76/81/39/378768139.db2.gz MJWZVSLLIQZWDD-DHHPTOIESA-N -1 3 286.335 2.748 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CC=CCC3)[n-]2)o1 ZINC000160399270 378768807 /nfs/dbraw/zinc/76/88/07/378768807.db2.gz OKGOUYOEVBFTJW-JTQLQIEISA-N -1 3 272.308 2.668 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CC=CCC3)n2)o1 ZINC000160399270 378768814 /nfs/dbraw/zinc/76/88/14/378768814.db2.gz OKGOUYOEVBFTJW-JTQLQIEISA-N -1 3 272.308 2.668 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CC=CCC3)n[n-]2)o1 ZINC000160399270 378768818 /nfs/dbraw/zinc/76/88/18/378768818.db2.gz OKGOUYOEVBFTJW-JTQLQIEISA-N -1 3 272.308 2.668 20 70 CFIDHM Cc1ccc([O-])c(CN(C)Cc2cccc(F)c2)n1 ZINC000160459377 378774319 /nfs/dbraw/zinc/77/43/19/378774319.db2.gz ZTQJNKDYBHVHFB-UHFFFAOYSA-N -1 3 260.312 2.867 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccccc2F)n1 ZINC000160524636 378779547 /nfs/dbraw/zinc/77/95/47/378779547.db2.gz ACWCBXBQODSJQM-UHFFFAOYSA-N -1 3 275.327 2.516 20 70 CFIDHM CCc1cc(=O)[n-]c(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000160791351 378798717 /nfs/dbraw/zinc/79/87/17/378798717.db2.gz RDTHENPRNJMOKD-SNVBAGLBSA-N -1 3 261.369 2.508 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)c2cccs2)n1 ZINC000160880158 378806401 /nfs/dbraw/zinc/80/64/01/378806401.db2.gz ZLIZWYCUFWNHFM-JTQLQIEISA-N -1 3 277.393 2.999 20 70 CFIDHM CCNc1nc(C(=O)Nc2ccc(C)cc2[O-])cs1 ZINC000160335615 322336389 /nfs/dbraw/zinc/33/63/89/322336389.db2.gz JQZBNGPWBMPBFF-UHFFFAOYSA-N -1 3 277.349 2.841 20 70 CFIDHM COc1cc(C(=O)N(C)c2ccccc2)cc(OC)c1[O-] ZINC000160682720 322341206 /nfs/dbraw/zinc/34/12/06/322341206.db2.gz KQTLBTFEIXZQBV-UHFFFAOYSA-N -1 3 287.315 2.686 20 70 CFIDHM Cc1ccc(/C=C/C(=O)[N-]OCc2cccnc2)cc1 ZINC000160802472 322343747 /nfs/dbraw/zinc/34/37/47/322343747.db2.gz ZGECCQCHIOYFEO-CMDGGOBGSA-N -1 3 268.316 2.651 20 70 CFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2C2CCCC2)n1 ZINC000160969050 322345588 /nfs/dbraw/zinc/34/55/88/322345588.db2.gz LNKFTLZKAQDAPH-AWEZNQCLSA-N -1 3 275.396 2.899 20 70 CFIDHM COc1ccc([O-])c(C(=O)NCCC2=CCCC2)c1 ZINC000160214951 534197210 /nfs/dbraw/zinc/19/72/10/534197210.db2.gz JXCFOHPAYRRKHW-UHFFFAOYSA-N -1 3 261.321 2.631 20 70 CFIDHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160226489 523726153 /nfs/dbraw/zinc/72/61/53/523726153.db2.gz XNEOIVIDPMNIQZ-OTYXRUKQSA-N -1 3 274.324 2.748 20 70 CFIDHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160226489 523726159 /nfs/dbraw/zinc/72/61/59/523726159.db2.gz XNEOIVIDPMNIQZ-OTYXRUKQSA-N -1 3 274.324 2.748 20 70 CFIDHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160226489 523726168 /nfs/dbraw/zinc/72/61/68/523726168.db2.gz XNEOIVIDPMNIQZ-OTYXRUKQSA-N -1 3 274.324 2.748 20 70 CFIDHM C[C@H]1CC[C@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000160405438 524397568 /nfs/dbraw/zinc/39/75/68/524397568.db2.gz JDOQDRHGMDFJHQ-UWVGGRQHSA-N -1 3 267.756 2.988 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccsc3)[n-]2)o1 ZINC000160420577 525848227 /nfs/dbraw/zinc/84/82/27/525848227.db2.gz RMLXOEASKYLVTH-UHFFFAOYSA-N -1 3 288.332 2.616 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccsc3)n2)o1 ZINC000160420577 525848237 /nfs/dbraw/zinc/84/82/37/525848237.db2.gz RMLXOEASKYLVTH-UHFFFAOYSA-N -1 3 288.332 2.616 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccsc3)n[n-]2)o1 ZINC000160420577 525848247 /nfs/dbraw/zinc/84/82/47/525848247.db2.gz RMLXOEASKYLVTH-UHFFFAOYSA-N -1 3 288.332 2.616 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccccc3C)[n-]2)o1 ZINC000160289997 525851273 /nfs/dbraw/zinc/85/12/73/525851273.db2.gz KSMPIQZAWGPQSI-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccccc3C)n2)o1 ZINC000160289997 525851282 /nfs/dbraw/zinc/85/12/82/525851282.db2.gz KSMPIQZAWGPQSI-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3ccccc3C)n[n-]2)o1 ZINC000160289997 525851292 /nfs/dbraw/zinc/85/12/92/525851292.db2.gz KSMPIQZAWGPQSI-UHFFFAOYSA-N -1 3 282.303 2.934 20 70 CFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000160583879 529565937 /nfs/dbraw/zinc/56/59/37/529565937.db2.gz JXCGOQWREGNEEW-JSGCOSHPSA-N -1 3 275.396 2.899 20 70 CFIDHM COc1ccc2cc(NC(=O)[N-]OCC(C)C)ccc2n1 ZINC000159935898 378739095 /nfs/dbraw/zinc/73/90/95/378739095.db2.gz RXTMOGZQORZMRR-UHFFFAOYSA-N -1 3 289.335 2.953 20 70 CFIDHM Cc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000159811811 378732131 /nfs/dbraw/zinc/73/21/31/378732131.db2.gz ZCYZUJCIPFHMPW-ZDUSSCGKSA-N -1 3 289.375 2.922 20 70 CFIDHM Cc1cc([N-]C(=O)c2csc([C@H]3CCCO3)n2)no1 ZINC000160344486 378764896 /nfs/dbraw/zinc/76/48/96/378764896.db2.gz MGDFDOBVQVAMLM-SECBINFHSA-N -1 3 279.321 2.543 20 70 CFIDHM O=C([N-]OCc1cccnc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000160739509 378795422 /nfs/dbraw/zinc/79/54/22/378795422.db2.gz ARPXUIIXLPZBKH-GJZGRUSLSA-N -1 3 286.306 2.572 20 70 CFIDHM CC(C)CON=C([O-])Nc1cccnc1Br ZINC000161175337 378828259 /nfs/dbraw/zinc/82/82/59/378828259.db2.gz CJTSFBYPAMWBKN-UHFFFAOYSA-N -1 3 288.145 2.553 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1cccnc1Br ZINC000161175337 378828262 /nfs/dbraw/zinc/82/82/62/378828262.db2.gz CJTSFBYPAMWBKN-UHFFFAOYSA-N -1 3 288.145 2.553 20 70 CFIDHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)O1 ZINC000159893927 322329690 /nfs/dbraw/zinc/32/96/90/322329690.db2.gz CQEJZVWLGMQLQO-HQJQHLMTSA-N -1 3 289.253 2.917 20 70 CFIDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCCO1 ZINC000160233065 322334864 /nfs/dbraw/zinc/33/48/64/322334864.db2.gz WTNRQRPEPOICSX-NSHDSACASA-N -1 3 289.253 2.919 20 70 CFIDHM CCOc1ccccc1/C=C/C(=O)[N-]OCc1cccnc1 ZINC000160818824 322343758 /nfs/dbraw/zinc/34/37/58/322343758.db2.gz GVZUZMJJPBKDQG-MDZDMXLPSA-N -1 3 298.342 2.742 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3)[n-]2)o1 ZINC000160381373 525849423 /nfs/dbraw/zinc/84/94/23/525849423.db2.gz WVPNPZGHTRWAMV-UHFFFAOYSA-N -1 3 296.330 2.944 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3ccccc3)n2)o1 ZINC000160381373 525849434 /nfs/dbraw/zinc/84/94/34/525849434.db2.gz WVPNPZGHTRWAMV-UHFFFAOYSA-N -1 3 296.330 2.944 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)CCc3ccccc3)n[n-]2)o1 ZINC000160381373 525849442 /nfs/dbraw/zinc/84/94/42/525849442.db2.gz WVPNPZGHTRWAMV-UHFFFAOYSA-N -1 3 296.330 2.944 20 70 CFIDHM COc1ccc([O-])c(C(=O)NCC2(c3ccccc3)CC2)c1 ZINC000218261512 539795982 /nfs/dbraw/zinc/79/59/82/539795982.db2.gz TVDRAYQLFUPMSW-UHFFFAOYSA-N -1 3 297.354 2.862 20 70 CFIDHM Cc1nc(CC(=O)Nc2ccc(C)cc2[O-])c(C)s1 ZINC000160346578 378765185 /nfs/dbraw/zinc/76/51/85/378765185.db2.gz PIDBBHCAUKHURN-UHFFFAOYSA-N -1 3 276.361 2.955 20 70 CFIDHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000160739358 378795407 /nfs/dbraw/zinc/79/54/07/378795407.db2.gz ARPXUIIXLPZBKH-LSDHHAIUSA-N -1 3 286.306 2.572 20 70 CFIDHM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000218211265 397621040 /nfs/dbraw/zinc/62/10/40/397621040.db2.gz YQAVIKUMKFKSCW-MNOVXSKESA-N -1 3 263.337 2.654 20 70 CFIDHM O=C(Nc1ccccc1[O-])c1ccn(C2CCCC2)n1 ZINC000159575184 322324674 /nfs/dbraw/zinc/32/46/74/322324674.db2.gz AQAIXYAIAICPHS-UHFFFAOYSA-N -1 3 271.320 2.956 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(F)c(F)c2)n1 ZINC000160727765 322341753 /nfs/dbraw/zinc/34/17/53/322341753.db2.gz CURCQCJKXJECRT-UHFFFAOYSA-N -1 3 293.317 2.655 20 70 CFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2C2CCCC2)n1 ZINC000160968910 322345500 /nfs/dbraw/zinc/34/55/00/322345500.db2.gz LNKFTLZKAQDAPH-CQSZACIVSA-N -1 3 275.396 2.899 20 70 CFIDHM COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160344050 523765073 /nfs/dbraw/zinc/76/50/73/523765073.db2.gz HSUHLONUPJUDEC-UHFFFAOYSA-N -1 3 298.302 2.634 20 70 CFIDHM COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160344050 523765077 /nfs/dbraw/zinc/76/50/77/523765077.db2.gz HSUHLONUPJUDEC-UHFFFAOYSA-N -1 3 298.302 2.634 20 70 CFIDHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160344050 523765083 /nfs/dbraw/zinc/76/50/83/523765083.db2.gz HSUHLONUPJUDEC-UHFFFAOYSA-N -1 3 298.302 2.634 20 70 CFIDHM C[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)O1 ZINC000159893660 524639839 /nfs/dbraw/zinc/63/98/39/524639839.db2.gz CQEJZVWLGMQLQO-RDDDGLTNSA-N -1 3 289.253 2.917 20 70 CFIDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000160825819 525077089 /nfs/dbraw/zinc/07/70/89/525077089.db2.gz MATQGJABTHXHDG-UHFFFAOYSA-N -1 3 295.335 2.944 20 70 CFIDHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccncc1[O-] ZINC000161503775 525885405 /nfs/dbraw/zinc/88/54/05/525885405.db2.gz GNQGLOXFTJSEOJ-NXEZZACHSA-N -1 3 274.345 2.899 20 70 CFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC3(C)C)cc2)n1 ZINC000161250979 526116433 /nfs/dbraw/zinc/11/64/33/526116433.db2.gz 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SAJVZRPTPRGPND-UHFFFAOYSA-N -1 3 260.297 2.502 20 70 CFIDHM O=C(c1ccccc1[O-])N1CC=C(C(F)(F)F)CC1 ZINC000160598960 378784608 /nfs/dbraw/zinc/78/46/08/378784608.db2.gz ACYQSHRRPWSKRJ-UHFFFAOYSA-N -1 3 271.238 2.727 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccs3)[n-]2)o1 ZINC000160328274 394366463 /nfs/dbraw/zinc/36/64/63/394366463.db2.gz AZDMJMZCJULACD-UHFFFAOYSA-N -1 3 274.305 2.687 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccs3)n2)o1 ZINC000160328274 394366466 /nfs/dbraw/zinc/36/64/66/394366466.db2.gz AZDMJMZCJULACD-UHFFFAOYSA-N -1 3 274.305 2.687 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3cccs3)n[n-]2)o1 ZINC000160328274 394366468 /nfs/dbraw/zinc/36/64/68/394366468.db2.gz AZDMJMZCJULACD-UHFFFAOYSA-N -1 3 274.305 2.687 20 70 CFIDHM COc1ccc(C(=O)NC[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000218010089 397620907 /nfs/dbraw/zinc/62/09/07/397620907.db2.gz YIJQXUDQTUVXPY-RYUDHWBXSA-N -1 3 277.364 2.957 20 70 CFIDHM COc1cc(C(=O)Nc2ccccc2)cc(OC)c1[O-] ZINC000160680342 322341144 /nfs/dbraw/zinc/34/11/44/322341144.db2.gz GPVSZYKRFDZJHT-UHFFFAOYSA-N -1 3 273.288 2.662 20 70 CFIDHM COc1cc(C(=O)NC2CCC(C)CC2)cc(OC)c1[O-] ZINC000160914707 522103392 /nfs/dbraw/zinc/10/33/92/522103392.db2.gz SGVPXOGARQMELB-UHFFFAOYSA-N -1 3 293.363 2.718 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccccc3F)[n-]2)o1 ZINC000160224051 525853683 /nfs/dbraw/zinc/85/36/83/525853683.db2.gz FXCNHDOLBGBURT-UHFFFAOYSA-N -1 3 286.266 2.765 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccccc3F)n2)o1 ZINC000160224051 525853694 /nfs/dbraw/zinc/85/36/94/525853694.db2.gz FXCNHDOLBGBURT-UHFFFAOYSA-N -1 3 286.266 2.765 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3ccccc3F)n[n-]2)o1 ZINC000160224051 525853705 /nfs/dbraw/zinc/85/37/05/525853705.db2.gz FXCNHDOLBGBURT-UHFFFAOYSA-N -1 3 286.266 2.765 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(CCC(C)C)C2CC2)n1 ZINC000160757495 541470485 /nfs/dbraw/zinc/47/04/85/541470485.db2.gz GHCBQLZKYATYQM-UHFFFAOYSA-N -1 3 263.385 2.755 20 70 CFIDHM CCOc1ccc(OC)cc1NC([O-])=NOCC(C)C ZINC000160097017 378749046 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/nfs/dbraw/zinc/77/21/52/378772152.db2.gz HYXXTJCHYOSFMI-UHFFFAOYSA-N -1 3 260.297 2.502 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCC3CC3)n2)o1 ZINC000160442421 378772165 /nfs/dbraw/zinc/77/21/65/378772165.db2.gz HYXXTJCHYOSFMI-UHFFFAOYSA-N -1 3 260.297 2.502 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)CCC3CC3)n[n-]2)o1 ZINC000160442421 378772172 /nfs/dbraw/zinc/77/21/72/378772172.db2.gz HYXXTJCHYOSFMI-UHFFFAOYSA-N -1 3 260.297 2.502 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160471527 378773661 /nfs/dbraw/zinc/77/36/61/378773661.db2.gz XCPQSYFOISFHGO-CQSZACIVSA-N -1 3 294.351 2.563 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(CC)Cc2ccccc2)n1 ZINC000160491937 378776426 /nfs/dbraw/zinc/77/64/26/378776426.db2.gz DQUFISAEUBGVOW-UHFFFAOYSA-N -1 3 271.364 2.767 20 70 CFIDHM CC(C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160642044 378787288 /nfs/dbraw/zinc/78/72/88/378787288.db2.gz KWAVCPWEFOMUTR-UHFFFAOYSA-N -1 3 261.243 2.909 20 70 CFIDHM Cc1c(NC([O-])=NOCC(C)C)cnn1-c1ccccc1 ZINC000161214057 378831117 /nfs/dbraw/zinc/83/11/17/378831117.db2.gz WMVHKIZQRWGEAA-UHFFFAOYSA-N -1 3 288.351 2.890 20 70 CFIDHM Cc1c(NC(=O)[N-]OCC(C)C)cnn1-c1ccccc1 ZINC000161214057 378831127 /nfs/dbraw/zinc/83/11/27/378831127.db2.gz WMVHKIZQRWGEAA-UHFFFAOYSA-N -1 3 288.351 2.890 20 70 CFIDHM O=C([N-]Cc1cccc(C(F)(F)F)c1)C(F)F ZINC000217664220 382787602 /nfs/dbraw/zinc/78/76/02/382787602.db2.gz LWFOHWPNBWCKSG-UHFFFAOYSA-N -1 3 253.170 2.587 20 70 CFIDHM COc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@@H](C)C2)c1 ZINC000218012280 382788968 /nfs/dbraw/zinc/78/89/68/382788968.db2.gz KXBGKEMJCZDVEC-NEPJUHHUSA-N -1 3 277.364 2.957 20 70 CFIDHM COc1cccc(C(=O)Nc2ccc(F)c(OC)c2)c1[O-] ZINC000160407313 533419988 /nfs/dbraw/zinc/41/99/88/533419988.db2.gz PNNSTOWTDIBAEN-UHFFFAOYSA-N -1 3 291.278 2.801 20 70 CFIDHM O=C(/C=C/c1ccccc1Cl)[N-]OCc1cccnc1 ZINC000160838072 322344094 /nfs/dbraw/zinc/34/40/94/322344094.db2.gz FREGAWSQUNTBEE-BQYQJAHWSA-N -1 3 288.734 2.996 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccoc3)[n-]2)o1 ZINC000160173117 525847116 /nfs/dbraw/zinc/84/71/16/525847116.db2.gz OWSIHXJRLMJVPO-UHFFFAOYSA-N -1 3 286.291 2.537 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3ccoc3)n2)o1 ZINC000160173117 525847121 /nfs/dbraw/zinc/84/71/21/525847121.db2.gz OWSIHXJRLMJVPO-UHFFFAOYSA-N -1 3 286.291 2.537 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)CCc3ccoc3)n[n-]2)o1 ZINC000160173117 525847125 /nfs/dbraw/zinc/84/71/25/525847125.db2.gz OWSIHXJRLMJVPO-UHFFFAOYSA-N -1 3 286.291 2.537 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)[n-]2)o1 ZINC000160270852 525851719 /nfs/dbraw/zinc/85/17/19/525851719.db2.gz QZHOMVIHAIJQJW-UHFFFAOYSA-N -1 3 286.266 2.765 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(F)c3)n2)o1 ZINC000160270852 525851727 /nfs/dbraw/zinc/85/17/27/525851727.db2.gz QZHOMVIHAIJQJW-UHFFFAOYSA-N -1 3 286.266 2.765 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(F)c3)n[n-]2)o1 ZINC000160270852 525851732 /nfs/dbraw/zinc/85/17/32/525851732.db2.gz QZHOMVIHAIJQJW-UHFFFAOYSA-N -1 3 286.266 2.765 20 70 CFIDHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000161503669 525894381 /nfs/dbraw/zinc/89/43/81/525894381.db2.gz GNQGLOXFTJSEOJ-UWVGGRQHSA-N -1 3 274.345 2.899 20 70 CFIDHM Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)o1 ZINC000160366134 378767052 /nfs/dbraw/zinc/76/70/52/378767052.db2.gz KBCQBSDRTHBDSZ-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM Cc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)o1 ZINC000160366134 378767061 /nfs/dbraw/zinc/76/70/61/378767061.db2.gz KBCQBSDRTHBDSZ-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)o1 ZINC000160366134 378767067 /nfs/dbraw/zinc/76/70/67/378767067.db2.gz KBCQBSDRTHBDSZ-UHFFFAOYSA-N -1 3 272.264 2.527 20 70 CFIDHM C[C@@H](CC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000160756769 378796469 /nfs/dbraw/zinc/79/64/69/378796469.db2.gz YYFNJIZPUDOIQQ-ZDUSSCGKSA-N -1 3 270.332 2.823 20 70 CFIDHM CC[C@H]([N-]S(=O)(=O)c1cccs1)c1nccs1 ZINC000159981907 322331384 /nfs/dbraw/zinc/33/13/84/322331384.db2.gz XGQJMMJRLUYMDR-QMMMGPOBSA-N -1 3 288.419 2.634 20 70 CFIDHM CCc1noc(C)c1C[S@@](=O)c1ccc([O-])cc1 ZINC000161065109 322346906 /nfs/dbraw/zinc/34/69/06/322346906.db2.gz NIIKKYMEWMJUQI-SFHVURJKSA-N -1 3 265.334 2.559 20 70 CFIDHM CC[C@H](N[C@H](C)C(=O)[N-]c1cc(C)no1)c1nccs1 ZINC000161062332 322347181 /nfs/dbraw/zinc/34/71/81/322347181.db2.gz ZFQCRTRNBSHDDA-ZJUUUORDSA-N -1 3 294.380 2.507 20 70 CFIDHM COc1cc(NCc2nc(C)ccc2[O-])ccc1F ZINC000160001931 522750468 /nfs/dbraw/zinc/75/04/68/522750468.db2.gz IQGIHQKUKSRNMV-UHFFFAOYSA-N -1 3 262.284 2.855 20 70 CFIDHM CC[C@]1(C)C[C@@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160226353 523591445 /nfs/dbraw/zinc/59/14/45/523591445.db2.gz XNEOIVIDPMNIQZ-YMTOWFKASA-N -1 3 274.324 2.748 20 70 CFIDHM CC[C@]1(C)C[C@@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160226353 523591452 /nfs/dbraw/zinc/59/14/52/523591452.db2.gz XNEOIVIDPMNIQZ-YMTOWFKASA-N -1 3 274.324 2.748 20 70 CFIDHM CC[C@]1(C)C[C@@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160226353 523591456 /nfs/dbraw/zinc/59/14/56/523591456.db2.gz XNEOIVIDPMNIQZ-YMTOWFKASA-N 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/nfs/dbraw/zinc/79/50/78/378795078.db2.gz DKZYRNRYCVDLRJ-PHIMTYICSA-N -1 3 293.363 2.528 20 70 CFIDHM O=C(NCCCC1CC1)NCc1ccc([O-])c(F)c1 ZINC000160404157 348018064 /nfs/dbraw/zinc/01/80/64/348018064.db2.gz PSGXWCCNWRHMDA-UHFFFAOYSA-N -1 3 266.316 2.521 20 70 CFIDHM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1[O-] ZINC000160880116 378805475 /nfs/dbraw/zinc/80/54/75/378805475.db2.gz MBHHSLODDFWRDN-CMPLNLGQSA-N -1 3 293.363 2.718 20 70 CFIDHM COc1ccc(C(=O)NCCC2=CCCC2)c([O-])c1 ZINC000160213301 533322982 /nfs/dbraw/zinc/32/29/82/533322982.db2.gz PDYPKEAYBGUDSE-UHFFFAOYSA-N -1 3 261.321 2.631 20 70 CFIDHM CN1CCc2ccc(C(=O)Nc3cc(F)ccc3[O-])cc21 ZINC000159428518 322322280 /nfs/dbraw/zinc/32/22/80/322322280.db2.gz MSIRBJUVFIIIOC-UHFFFAOYSA-N -1 3 286.306 2.776 20 70 CFIDHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000159799782 322328738 /nfs/dbraw/zinc/32/87/38/322328738.db2.gz ZPSRWOALYDSMJC-SECBINFHSA-N -1 3 268.332 2.765 20 70 CFIDHM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)O1 ZINC000159893775 322329622 /nfs/dbraw/zinc/32/96/22/322329622.db2.gz CQEJZVWLGMQLQO-WRWORJQWSA-N -1 3 289.253 2.917 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(C)C2CCC(C)CC2)n1 ZINC000160561117 322339407 /nfs/dbraw/zinc/33/94/07/322339407.db2.gz NFTMSDAVOGVMCU-UHFFFAOYSA-N -1 3 263.385 2.755 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccccc3)[n-]2)o1 ZINC000160434025 525854043 /nfs/dbraw/zinc/85/40/43/525854043.db2.gz WPEUFHCJBTXSDX-UHFFFAOYSA-N -1 3 268.276 2.625 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccccc3)n2)o1 ZINC000160434025 525854052 /nfs/dbraw/zinc/85/40/52/525854052.db2.gz WPEUFHCJBTXSDX-UHFFFAOYSA-N -1 3 268.276 2.625 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3ccccc3)n[n-]2)o1 ZINC000160434025 525854063 /nfs/dbraw/zinc/85/40/63/525854063.db2.gz WPEUFHCJBTXSDX-UHFFFAOYSA-N -1 3 268.276 2.625 20 70 CFIDHM C[C@H](OC1CCCCCC1)C(=O)Nc1ncccc1[O-] ZINC000159724987 525899392 /nfs/dbraw/zinc/89/93/92/525899392.db2.gz LRLHFNZQDYUDRZ-NSHDSACASA-N -1 3 278.352 2.854 20 70 CFIDHM CCc1cc(=O)[n-]c(CSCCc2c(C)noc2C)n1 ZINC000160156859 348016171 /nfs/dbraw/zinc/01/61/71/348016171.db2.gz ZSUPZZOFBWODTP-UHFFFAOYSA-N -1 3 293.392 2.825 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)c3cccnc3)[n-]2)o1 ZINC000160259828 525853172 /nfs/dbraw/zinc/85/31/72/525853172.db2.gz UCCSOSLSKQZDLQ-SNVBAGLBSA-N -1 3 297.318 2.510 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)c3cccnc3)n2)o1 ZINC000160259828 525853182 /nfs/dbraw/zinc/85/31/82/525853182.db2.gz UCCSOSLSKQZDLQ-SNVBAGLBSA-N -1 3 297.318 2.510 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3cccnc3)n[n-]2)o1 ZINC000160259828 525853190 /nfs/dbraw/zinc/85/31/90/525853190.db2.gz UCCSOSLSKQZDLQ-SNVBAGLBSA-N -1 3 297.318 2.510 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccsc3)[n-]2)o1 ZINC000160417173 525853789 /nfs/dbraw/zinc/85/37/89/525853789.db2.gz VGUPKVLMYGQLIU-UHFFFAOYSA-N -1 3 274.305 2.687 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccsc3)n2)o1 ZINC000160417173 525853799 /nfs/dbraw/zinc/85/37/99/525853799.db2.gz VGUPKVLMYGQLIU-UHFFFAOYSA-N -1 3 274.305 2.687 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)c3ccsc3)n[n-]2)o1 ZINC000160417173 525853808 /nfs/dbraw/zinc/85/38/08/525853808.db2.gz VGUPKVLMYGQLIU-UHFFFAOYSA-N -1 3 274.305 2.687 20 70 CFIDHM Cc1cc(Cl)cc(NC(=O)[C@H]2CC[C@H](C)O2)c1[O-] ZINC000159782508 232245620 /nfs/dbraw/zinc/24/56/20/232245620.db2.gz SXJWJGVSPNQESD-GZMMTYOYSA-N -1 3 269.728 2.860 20 70 CFIDHM Cc1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(F)c1 ZINC000160145030 232247274 /nfs/dbraw/zinc/24/72/74/232247274.db2.gz GSLRELPAKWQWQY-UHFFFAOYSA-N -1 3 283.368 2.603 20 70 CFIDHM Cc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000159920527 378738862 /nfs/dbraw/zinc/73/88/62/378738862.db2.gz DTASHJCEXKGFOU-CYBMUJFWSA-N -1 3 289.375 2.922 20 70 CFIDHM COc1cc(F)c(NC([O-])=NOCC(C)C)cc1OC ZINC000160148996 378752305 /nfs/dbraw/zinc/75/23/05/378752305.db2.gz VVHOGEFHGDYDIO-UHFFFAOYSA-N -1 3 286.303 2.552 20 70 CFIDHM COc1cc(F)c(NC(=O)[N-]OCC(C)C)cc1OC ZINC000160148996 378752313 /nfs/dbraw/zinc/75/23/13/378752313.db2.gz VVHOGEFHGDYDIO-UHFFFAOYSA-N -1 3 286.303 2.552 20 70 CFIDHM C[C@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000159440207 378708710 /nfs/dbraw/zinc/70/87/10/378708710.db2.gz YPEICZBDWCBKNY-KLPPZKSPSA-N -1 3 280.343 2.909 20 70 CFIDHM COCCCOc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000160824575 378801586 /nfs/dbraw/zinc/80/15/86/378801586.db2.gz QMDYCSWCTBZGOI-UHFFFAOYSA-N -1 3 296.367 2.811 20 70 CFIDHM COc1cc(C(=O)N[C@@H](C)CCC(C)C)cc(OC)c1[O-] ZINC000161286880 378835912 /nfs/dbraw/zinc/83/59/12/378835912.db2.gz CBCWVTYZVXCTIC-NSHDSACASA-N -1 3 295.379 2.964 20 70 CFIDHM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000218211203 263091612 /nfs/dbraw/zinc/09/16/12/263091612.db2.gz YQAVIKUMKFKSCW-WDEREUQCSA-N -1 3 263.337 2.654 20 70 CFIDHM O=c1nc(CN2CC[C@@H]3CCCC[C@@H]32)[n-]c2ccsc21 ZINC000159645324 322325638 /nfs/dbraw/zinc/32/56/38/322325638.db2.gz JLUKGAHJYCQEET-JQWIXIFHSA-N -1 3 289.404 2.749 20 70 CFIDHM CCCCc1nnc([N-]C(=O)c2ccc(COC)o2)s1 ZINC000160156754 322333794 /nfs/dbraw/zinc/33/37/94/322333794.db2.gz XXOQPQBDHRXADV-UHFFFAOYSA-N -1 3 295.364 2.872 20 70 CFIDHM COc1cc(C(=O)Nc2ccccc2F)cc(OC)c1[O-] ZINC000160724023 322341936 /nfs/dbraw/zinc/34/19/36/322341936.db2.gz GHWIRIONKGTRID-UHFFFAOYSA-N -1 3 291.278 2.801 20 70 CFIDHM Cc1ccccc1CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000217510797 525127789 /nfs/dbraw/zinc/12/77/89/525127789.db2.gz YZMNXMLIIMPTIG-UHFFFAOYSA-N -1 3 271.316 2.678 20 70 CFIDHM Cc1ccc(-c2nnc(NC(=O)CCC3CCC3)[n-]2)o1 ZINC000160172322 525848767 /nfs/dbraw/zinc/84/87/67/525848767.db2.gz SJKURFZYXRDXGK-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCC3CCC3)n2)o1 ZINC000160172322 525848771 /nfs/dbraw/zinc/84/87/71/525848771.db2.gz SJKURFZYXRDXGK-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM Cc1ccc(-c2nc(NC(=O)CCC3CCC3)n[n-]2)o1 ZINC000160172322 525848777 /nfs/dbraw/zinc/84/87/77/525848777.db2.gz SJKURFZYXRDXGK-UHFFFAOYSA-N -1 3 274.324 2.892 20 70 CFIDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccccc2[O-])C12CCC2 ZINC000159479451 378712205 /nfs/dbraw/zinc/71/22/05/378712205.db2.gz YKTQLOLUWRHJST-LSDHHAIUSA-N -1 3 289.375 2.812 20 70 CFIDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2[O-])C12CCC2 ZINC000159479689 378712456 /nfs/dbraw/zinc/71/24/56/378712456.db2.gz YKTQLOLUWRHJST-HUUCEWRRSA-N -1 3 289.375 2.812 20 70 CFIDHM CCn1ncc2ccc(NC(=O)[N-]OCC(C)C)cc21 ZINC000159708228 378726612 /nfs/dbraw/zinc/72/66/12/378726612.db2.gz JCVNLCVGXQXFKD-UHFFFAOYSA-N -1 3 276.340 2.765 20 70 CFIDHM CC(C)CO[N-]C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160471650 378773645 /nfs/dbraw/zinc/77/36/45/378773645.db2.gz XCPQSYFOISFHGO-AWEZNQCLSA-N -1 3 294.351 2.563 20 70 CFIDHM C[C@@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000161482797 378851150 /nfs/dbraw/zinc/85/11/50/378851150.db2.gz OGPYYEBIRYVPNN-MNOVXSKESA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000161482797 378851159 /nfs/dbraw/zinc/85/11/59/378851159.db2.gz OGPYYEBIRYVPNN-MNOVXSKESA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000161482797 378851163 /nfs/dbraw/zinc/85/11/63/378851163.db2.gz OGPYYEBIRYVPNN-MNOVXSKESA-N -1 3 285.351 2.632 20 70 CFIDHM C[C@H](CNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000217485242 393756857 /nfs/dbraw/zinc/75/68/57/393756857.db2.gz GAXJBXLFQISEEK-LLVKDONJSA-N -1 3 271.316 2.631 20 70 CFIDHM Cc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000159548009 322323925 /nfs/dbraw/zinc/32/39/25/322323925.db2.gz LBALAAVYWRIHLO-HYVNUMGLSA-N -1 3 279.339 2.769 20 70 CFIDHM COc1cccc(C(=O)[N-]c2nc(SC)ns2)c1F ZINC000160094927 322332493 /nfs/dbraw/zinc/33/24/93/322332493.db2.gz IFFWFANDQLDGHL-UHFFFAOYSA-N -1 3 299.352 2.660 20 70 CFIDHM CCc1cc(=O)[n-]c(CN(CC)CCc2ccccc2)n1 ZINC000160878146 322344134 /nfs/dbraw/zinc/34/41/34/322344134.db2.gz AMRQZMFGGQRWBR-UHFFFAOYSA-N -1 3 285.391 2.809 20 70 CFIDHM