smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]c2cc(I)c(Br)cc2C1=O ZINC000211828885 206340356 /nfs/dbraw/zinc/34/03/56/206340356.db2.gz MVYXZOYUEAEMTM-UHFFFAOYSA-N -1 3 351.925 2.189 10 0 FEAEHM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCCN(c2cccnn2)C1 ZINC000106078765 543191717 /nfs/dbraw/zinc/19/17/17/543191717.db2.gz CQVSEIXXFYWSIZ-HNNXBMFYSA-N -1 3 366.421 2.389 10 0 FEAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000133499838 544272613 /nfs/dbraw/zinc/27/26/13/544272613.db2.gz NJJUINSITDEGQL-KGLIPLIRSA-N -1 3 356.513 2.359 10 0 FEAEHM CCN1CCC[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151643479 544565296 /nfs/dbraw/zinc/56/52/96/544565296.db2.gz BABCAWNCWCIHRV-LBPRGKRZSA-N -1 3 356.264 2.438 10 0 FEAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CCC[C@@H]1c1ccco1 ZINC000120705020 326280309 /nfs/dbraw/zinc/28/03/09/326280309.db2.gz XMFMXQPQYZUSNX-HUUCEWRRSA-N -1 3 368.393 2.399 10 0 FEAEHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nnc2n1CCCC2 ZINC000121726552 326361747 /nfs/dbraw/zinc/36/17/47/326361747.db2.gz OXCJOYHPJILIRA-SECBINFHSA-N -1 3 358.826 2.446 10 0 FEAEHM COCc1nc2n(n1)CCC[C@@H]2[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000157152289 326856516 /nfs/dbraw/zinc/85/65/16/326856516.db2.gz LHFVOLORHHJKSX-ZDUSSCGKSA-N -1 3 366.368 2.176 10 0 FEAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@@H](n3cncn3)C1)c2=O ZINC000171823183 327164001 /nfs/dbraw/zinc/16/40/01/327164001.db2.gz OCNNIQFCEHIVEI-GFCCVEGCSA-N -1 3 353.382 2.018 10 0 FEAEHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCO[C@H](CN(C)C)C3)n2)cc1 ZINC000173644127 327273081 /nfs/dbraw/zinc/27/30/81/327273081.db2.gz SGRSJUPJTRIKNM-QGZVFWFLSA-N -1 3 372.469 2.104 10 0 FEAEHM CCCn1cc(CN2CCCN(C(=O)c3cc(F)ccc3[O-])CC2)cn1 ZINC000175222999 327381173 /nfs/dbraw/zinc/38/11/73/327381173.db2.gz KMBYVYUODIUVFJ-UHFFFAOYSA-N -1 3 360.433 2.486 10 0 FEAEHM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000253597778 328800410 /nfs/dbraw/zinc/80/04/10/328800410.db2.gz GSODLZRVMYMTQP-KBMXLJTQSA-N -1 3 361.442 2.064 10 0 FEAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C12CCOCC2 ZINC000185149831 547940537 /nfs/dbraw/zinc/94/05/37/547940537.db2.gz PGRZBNCCAZPQBO-LSDHHAIUSA-N -1 3 361.410 2.217 10 0 FEAEHM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000195320499 548621992 /nfs/dbraw/zinc/62/19/92/548621992.db2.gz OZRXYGFSFQLDQW-HNNXBMFYSA-N -1 3 357.483 2.223 10 0 FEAEHM C[C@@H]1CN([C@H](CNC(=O)c2ccc3n[n-]nc3c2)c2cccs2)CCO1 ZINC000247185092 549296089 /nfs/dbraw/zinc/29/60/89/549296089.db2.gz ZWURWCNWCVZXIB-MLGOLLRUSA-N -1 3 371.466 2.211 10 0 FEAEHM C[C@H]1CN([C@H](CNC(=O)c2ccc(O)cc2[O-])c2cccs2)CCO1 ZINC000248416101 549433182 /nfs/dbraw/zinc/43/31/82/549433182.db2.gz OYGCESQGEZVOGV-SWLSCSKDSA-N -1 3 362.451 2.351 10 0 FEAEHM CN(CC(=O)[O-])C[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000262916689 549862221 /nfs/dbraw/zinc/86/22/21/549862221.db2.gz RHCYLHHJCVLVMI-HNNXBMFYSA-N -1 3 361.467 2.027 10 0 FEAEHM CC[C@@H](CC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1)c1ccc(C)cc1 ZINC000263017420 549871542 /nfs/dbraw/zinc/87/15/42/549871542.db2.gz ZMOWMINWRPKMBG-FUHWJXTLSA-N -1 3 362.470 2.123 10 0 FEAEHM CCCCC1CCC(NC(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)CC1 ZINC000263124247 549879723 /nfs/dbraw/zinc/87/97/23/549879723.db2.gz YHMIWBLDHXDOIL-OFLPRAFFSA-N -1 3 369.506 2.162 10 0 FEAEHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000263291881 549892485 /nfs/dbraw/zinc/89/24/85/549892485.db2.gz VLOHEVCEMXLGRF-GVDBMIGSSA-N -1 3 369.506 2.018 10 0 FEAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000332962163 673092120 /nfs/dbraw/zinc/09/21/20/673092120.db2.gz ZAYPAWXWRJKEPA-BMIGLBTASA-N -1 3 352.316 2.180 10 0 FEAEHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2ccco2)[C@H]1c1ccnc2ccccc21 ZINC000034739554 539977566 /nfs/dbraw/zinc/97/75/66/539977566.db2.gz IJTZTMQLKHNTMP-QZTJIDSGSA-N -1 3 373.434 2.234 10 0 FEAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000040503775 540010281 /nfs/dbraw/zinc/01/02/81/540010281.db2.gz DGRBCTXAGWKIJS-LLVKDONJSA-N -1 3 365.268 2.351 10 0 FEAEHM CC(C)[C@@H](CN(C)C)[N-]S(=O)(=O)c1sccc1Br ZINC000049232211 205171094 /nfs/dbraw/zinc/17/10/94/205171094.db2.gz SDDFSZOLMWYVIE-SNVBAGLBSA-N -1 3 355.323 2.375 10 0 FEAEHM COc1ccc(-c2nc(C(C)C)cc(N3CCN(CC(=O)[O-])CC3)n2)cc1 ZINC000073685552 132377105 /nfs/dbraw/zinc/37/71/05/132377105.db2.gz ASNIOWOULUDPPX-UHFFFAOYSA-N -1 3 370.453 2.482 10 0 FEAEHM C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H](C)N1 ZINC000005930100 132377492 /nfs/dbraw/zinc/37/74/92/132377492.db2.gz YTURORCTXHHHCR-QWRGUYRKSA-N -1 3 359.401 2.360 10 0 FEAEHM Cc1nc(C)n(C[C@@H]2CCCN(Cc3nc4ccsc4c(=O)[n-]3)C2)n1 ZINC000106181535 543214422 /nfs/dbraw/zinc/21/44/22/543214422.db2.gz HTOSVRSGGWCYRD-CYBMUJFWSA-N -1 3 358.471 2.105 10 0 FEAEHM Cc1ccc2c(c1)nc(-c1ccccc1[O-])nc2N1CCNC[C@@H]1CO ZINC000116696193 543613285 /nfs/dbraw/zinc/61/32/85/543613285.db2.gz RRRMHHSYVLOTID-CQSZACIVSA-N -1 3 350.422 2.081 10 0 FEAEHM CCn1cnnc1C1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000152157715 544620425 /nfs/dbraw/zinc/62/04/25/544620425.db2.gz NDJJCGZFCOHTEV-UHFFFAOYSA-N -1 3 354.410 2.490 10 0 FEAEHM CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(CC)cc3[O-])CC2)n1 ZINC000191249696 328256468 /nfs/dbraw/zinc/25/64/68/328256468.db2.gz KIIOLNGTZDKONV-UHFFFAOYSA-N -1 3 370.453 2.414 10 0 FEAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1ccccc1 ZINC000195082532 328455192 /nfs/dbraw/zinc/45/51/92/328455192.db2.gz VXFISSXMVJUBQI-KRWDZBQOSA-N -1 3 356.403 2.427 10 0 FEAEHM Cc1cnn(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000117927596 326074911 /nfs/dbraw/zinc/07/49/11/326074911.db2.gz YZQRTSPVEDFFMV-UHFFFAOYSA-N -1 3 362.224 2.072 10 0 FEAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000157082487 326853827 /nfs/dbraw/zinc/85/38/27/326853827.db2.gz IIIWKVXSCRHQFP-VIFPVBQESA-N -1 3 360.361 2.071 10 0 FEAEHM Cc1csc([C@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)n1 ZINC000173590862 327269262 /nfs/dbraw/zinc/26/92/62/327269262.db2.gz FHXMDPNHJFADJO-LBPRGKRZSA-N -1 3 355.419 2.355 10 0 FEAEHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N2CCOCC2)s1 ZINC000175220247 327380944 /nfs/dbraw/zinc/38/09/44/327380944.db2.gz HTGZCJWQYCOXCW-CYBMUJFWSA-N -1 3 372.537 2.470 10 0 FEAEHM Cn1cc([C@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CCC(=O)N2C)cn1 ZINC000175614897 546321431 /nfs/dbraw/zinc/32/14/31/546321431.db2.gz VIBDNBJQEHQPAH-LRDDRELGSA-N -1 3 362.817 2.327 10 0 FEAEHM CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000178930061 546876261 /nfs/dbraw/zinc/87/62/61/546876261.db2.gz FYYRXPIRNBXDQV-LLVKDONJSA-N -1 3 372.796 2.408 10 0 FEAEHM COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000180435927 547108313 /nfs/dbraw/zinc/10/83/13/547108313.db2.gz TUEPBEVJDMHVAF-LLVKDONJSA-N -1 3 370.862 2.200 10 0 FEAEHM CCc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2CC)cc1C(=O)[O-] ZINC000185153919 547942357 /nfs/dbraw/zinc/94/23/57/547942357.db2.gz VNURCGUQGZZDOE-LSDHHAIUSA-N -1 3 366.483 2.195 10 0 FEAEHM CCN(CC)[C@H](CNC(=O)N(C)C[C@H](C)C(=O)[O-])c1cccc(OC)c1 ZINC000263091956 549876872 /nfs/dbraw/zinc/87/68/72/549876872.db2.gz VQYJSEQAPISPKX-WMLDXEAASA-N -1 3 365.474 2.440 10 0 FEAEHM COc1cc(CN2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc2ccccc21 ZINC000263469294 549903534 /nfs/dbraw/zinc/90/35/34/549903534.db2.gz DEVHYRAMAUSUGP-KRWDZBQOSA-N -1 3 358.438 2.066 10 0 FEAEHM CC(C)N1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OCc1ccccc1 ZINC000669379561 571175982 /nfs/dbraw/zinc/17/59/82/571175982.db2.gz FJIQDQKTNKMUAF-INIZCTEOSA-N -1 3 362.426 2.309 10 0 FEAEHM CCc1nc(-c2ccccc2F)nc(N2CCN(CC(=O)[O-])CC2)c1C ZINC000073685530 132377088 /nfs/dbraw/zinc/37/70/88/132377088.db2.gz UHLKTAIQKMWSAS-UHFFFAOYSA-N -1 3 358.417 2.360 10 0 FEAEHM COc1ccc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c([O-])c1 ZINC000113859551 543497316 /nfs/dbraw/zinc/49/73/16/543497316.db2.gz JWJUJLNHSKPCDV-UHFFFAOYSA-N -1 3 372.469 2.310 10 0 FEAEHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000151377832 544535438 /nfs/dbraw/zinc/53/54/38/544535438.db2.gz NTKKSCXOXSOPHW-NSHDSACASA-N -1 3 366.219 2.081 10 0 FEAEHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1O)c1ccc(Br)cc1F ZINC000154474515 544910808 /nfs/dbraw/zinc/91/08/08/544910808.db2.gz KPMVMPXMUIIZJS-BXKDBHETSA-N -1 3 366.252 2.418 10 0 FEAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C)nc2C)C12CCOCC2 ZINC000185150853 327902276 /nfs/dbraw/zinc/90/22/76/327902276.db2.gz IFOBWSYBXMALEX-QWHCGFSZSA-N -1 3 360.501 2.012 10 0 FEAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000088786995 325302244 /nfs/dbraw/zinc/30/22/44/325302244.db2.gz LVRKFLDPDUNZSY-NSHDSACASA-N -1 3 358.826 2.446 10 0 FEAEHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCCC3)c(F)cc1F ZINC000121696944 326358931 /nfs/dbraw/zinc/35/89/31/326358931.db2.gz BQCLYDXCURXYQM-SNVBAGLBSA-N -1 3 356.398 2.241 10 0 FEAEHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000121763133 326364876 /nfs/dbraw/zinc/36/48/76/326364876.db2.gz FTYVWUSYHOKMBA-JTQLQIEISA-N -1 3 370.862 2.316 10 0 FEAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nnc3n2CCCC3)cc1F ZINC000121763658 326365038 /nfs/dbraw/zinc/36/50/38/326365038.db2.gz NBTRNZOZKGCSIY-JTQLQIEISA-N -1 3 356.398 2.241 10 0 FEAEHM CN(C)C(=O)[C@H]1CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000139569394 326663474 /nfs/dbraw/zinc/66/34/74/326663474.db2.gz FOKHRACFNMWOJF-GFCCVEGCSA-N -1 3 372.450 2.297 10 0 FEAEHM COC(=O)c1cccc2nc(NC(=O)[C@H](Cc3ccccc3)N(C)C)[n-]c21 ZINC000162488363 327026970 /nfs/dbraw/zinc/02/69/70/327026970.db2.gz UHYVGKZUNDWMQS-INIZCTEOSA-N -1 3 366.421 2.461 10 0 FEAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](Cc3ccccc3)N(C)C)nc21 ZINC000162488363 327026971 /nfs/dbraw/zinc/02/69/71/327026971.db2.gz UHYVGKZUNDWMQS-INIZCTEOSA-N -1 3 366.421 2.461 10 0 FEAEHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(-n2ccnc2)c1 ZINC000173942765 327296584 /nfs/dbraw/zinc/29/65/84/327296584.db2.gz CSAMGQSCHDATFW-LBPRGKRZSA-N -1 3 360.373 2.247 10 0 FEAEHM O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1cc2cc(Cl)ccc2s1 ZINC000176920519 327484833 /nfs/dbraw/zinc/48/48/33/327484833.db2.gz UAPJGXNOTLEDKC-LLVKDONJSA-N -1 3 368.871 2.440 10 0 FEAEHM CC(C)[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000262206027 328851072 /nfs/dbraw/zinc/85/10/72/328851072.db2.gz IMZOVBRHDSATQV-JHJVBQTASA-N -1 3 350.381 2.218 10 0 FEAEHM CC[C@H](C)N(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000176262635 546424913 /nfs/dbraw/zinc/42/49/13/546424913.db2.gz LCWRIXYIMMCWMP-NSHDSACASA-N -1 3 355.394 2.451 10 0 FEAEHM CCc1nc(C2([N-]S(=O)(=O)c3ccc(OC)cc3)CCCC2)no1 ZINC000177608166 546652802 /nfs/dbraw/zinc/65/28/02/546652802.db2.gz CDYQZJYDYPSAHX-UHFFFAOYSA-N -1 3 351.428 2.388 10 0 FEAEHM CCCn1cc(CN2CCCN(C(=O)c3ccc(O)cc3[O-])CC2)cn1 ZINC000182390411 547484265 /nfs/dbraw/zinc/48/42/65/547484265.db2.gz MNTUBXLQYILGJT-UHFFFAOYSA-N -1 3 358.442 2.052 10 0 FEAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000184750811 547875177 /nfs/dbraw/zinc/87/51/77/547875177.db2.gz KQSZKGFLSRXAAJ-JTQLQIEISA-N -1 3 353.831 2.134 10 0 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CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000245728318 548984111 /nfs/dbraw/zinc/98/41/11/548984111.db2.gz PVPRQGGSHICUDU-HOCLYGCPSA-N -1 3 370.453 2.285 10 0 FEAEHM CCCc1cc(=O)[n-]c(-c2ccc(CN3CCC[C@H]3C(=O)N(C)C)cc2)n1 ZINC000023366664 539713066 /nfs/dbraw/zinc/71/30/66/539713066.db2.gz XJCNHJKZPFVERH-SFHVURJKSA-N -1 3 368.481 2.442 10 0 FEAEHM CCN(CC)CCc1cnc([N-]S(=O)(=O)c2ccc(N)cc2)s1 ZINC000033866384 208101134 /nfs/dbraw/zinc/10/11/34/208101134.db2.gz IFCJACHSHHEHIX-UHFFFAOYSA-N -1 3 354.501 2.410 10 0 FEAEHM Nc1c(=O)[n-]cnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000040729984 136120318 /nfs/dbraw/zinc/12/03/18/136120318.db2.gz JIRGYQHFEVKCPI-UHFFFAOYSA-N -1 3 361.449 2.264 10 0 FEAEHM CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(C)C ZINC000178929601 327616644 /nfs/dbraw/zinc/61/66/44/327616644.db2.gz JVCCIMSGQPFOQH-CYBMUJFWSA-N -1 3 373.525 2.229 10 0 FEAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)cn1 ZINC000185841878 327935321 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541229396 /nfs/dbraw/zinc/22/93/96/541229396.db2.gz JLXVDUVNROOKJD-INIZCTEOSA-N -1 3 366.389 2.190 10 0 FEAEHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCC(c2ccncc2)CC1 ZINC000095360906 209027610 /nfs/dbraw/zinc/02/76/10/209027610.db2.gz RRCPSJIZRJCNFW-UHFFFAOYSA-N -1 3 364.405 2.158 10 0 FEAEHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CCNCC3)c(F)cc2c1=O ZINC000005932762 132377584 /nfs/dbraw/zinc/37/75/84/132377584.db2.gz UGQWPWIPFYFCFJ-UHFFFAOYSA-N -1 3 365.792 2.237 10 0 FEAEHM CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)CC2 ZINC000114874747 543542970 /nfs/dbraw/zinc/54/29/70/543542970.db2.gz ZVODOJAYIOVNDH-SNVBAGLBSA-N -1 3 374.388 2.153 10 0 FEAEHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H]3CC[C@@H]2O3)sc1Br ZINC000126431616 543935329 /nfs/dbraw/zinc/93/53/29/543935329.db2.gz QWOLEZMZDFNHJA-VGMNWLOBSA-N -1 3 352.275 2.417 10 0 FEAEHM CC(C)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000133673489 544279500 /nfs/dbraw/zinc/27/95/00/544279500.db2.gz KLIRBRHINFCLRU-VIFPVBQESA-N -1 3 353.897 2.024 10 0 FEAEHM 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CCO[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C12CCOCC2 ZINC000185981412 327941997 /nfs/dbraw/zinc/94/19/97/327941997.db2.gz ZLALCTUCKZSCIM-CVEARBPZSA-N -1 3 352.406 2.305 10 0 FEAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192813805 328341183 /nfs/dbraw/zinc/34/11/83/328341183.db2.gz FQVMUWJSLBDQLG-AWEZNQCLSA-N -1 3 364.490 2.290 10 0 FEAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)CC2 ZINC000193272445 328366308 /nfs/dbraw/zinc/36/63/08/328366308.db2.gz ALVYRQQLSBARMG-VIFPVBQESA-N -1 3 354.332 2.310 10 0 FEAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC=C(c2ccccc2)CC1 ZINC000003894694 324345268 /nfs/dbraw/zinc/34/52/68/324345268.db2.gz DXEMDQPOGZQECI-UHFFFAOYSA-N -1 3 362.476 2.342 10 0 FEAEHM Cc1cnn([C@@H]2CCCN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)c1 ZINC000109682993 325674944 /nfs/dbraw/zinc/67/49/44/325674944.db2.gz AFIUISARNMJNKY-MRXNPFEDSA-N -1 3 370.453 2.189 10 0 FEAEHM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3ccc([O-])c(F)c3)C2)n1 ZINC000163765978 327058389 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FEAEHM CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000185154149 547942342 /nfs/dbraw/zinc/94/23/42/547942342.db2.gz HAMFXRQWGFGWJK-HUUCEWRRSA-N -1 3 366.483 2.249 10 0 FEAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C)nc2Cl)C12CCOCC2 ZINC000193972692 548416104 /nfs/dbraw/zinc/41/61/04/548416104.db2.gz FKAMAGISIIEJRA-ZIAGYGMSSA-N -1 3 374.890 2.296 10 0 FEAEHM Cc1ccc2nc(=O)c(C(=O)NCCc3ccc(Cl)cc3)c([O-])n2c1 ZINC000226822510 548749737 /nfs/dbraw/zinc/74/97/37/548749737.db2.gz UOSJJRDJGGQLHB-UHFFFAOYSA-N -1 3 357.797 2.334 10 0 FEAEHM Cc1ccc2nc([O-])c(C(=O)NCCc3ccc(Cl)cc3)c(=O)n2c1 ZINC000226822510 548749742 /nfs/dbraw/zinc/74/97/42/548749742.db2.gz UOSJJRDJGGQLHB-UHFFFAOYSA-N -1 3 357.797 2.334 10 0 FEAEHM CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000245884914 549010465 /nfs/dbraw/zinc/01/04/65/549010465.db2.gz LPSJNDFMKJGIEN-ZBFHGGJFSA-N -1 3 358.417 2.416 10 0 FEAEHM C[C@@](O)(C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1 ZINC000246136148 549060905 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CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000088786990 325302420 /nfs/dbraw/zinc/30/24/20/325302420.db2.gz ZLVKZAGXYSXJHE-LLVKDONJSA-N -1 3 358.826 2.446 10 0 FEAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000116525407 326020667 /nfs/dbraw/zinc/02/06/67/326020667.db2.gz RBJMGFJRHKYJRV-GFCCVEGCSA-N -1 3 369.468 2.296 10 0 FEAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nnc2n1CCCC2 ZINC000121764835 326365020 /nfs/dbraw/zinc/36/50/20/326365020.db2.gz YNBGENQPZBFUDX-SECBINFHSA-N -1 3 358.826 2.446 10 0 FEAEHM CC[C@@H]1CCN(C(=O)c2c(C)oc3[n-]c(=O)n(-c4ccccc4)c(=O)c32)C1 ZINC000153160105 326725567 /nfs/dbraw/zinc/72/55/67/326725567.db2.gz BNWUTWDHIQWGJR-CYBMUJFWSA-N -1 3 367.405 2.453 10 0 FEAEHM CC[C@H]1CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CCN1CCOC ZINC000163762854 327058213 /nfs/dbraw/zinc/05/82/13/327058213.db2.gz IRYSETBRSGFWNJ-HNNXBMFYSA-N -1 3 357.454 2.432 10 0 FEAEHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c(=O)[n-]1 ZINC000173950037 327297220 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O=C(c1cccc2n[n-]nc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000188319797 548276382 /nfs/dbraw/zinc/27/63/82/548276382.db2.gz PVJHSNVGHWSGDN-CQSZACIVSA-N -1 3 351.414 2.253 10 0 FEAEHM O=C(NC1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)C1CC1 ZINC000189458269 548303507 /nfs/dbraw/zinc/30/35/07/548303507.db2.gz USSQKXHAEZJGHQ-UHFFFAOYSA-N -1 3 350.418 2.334 10 0 FEAEHM CC(C)c1nnc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)n1C ZINC000195038919 548566701 /nfs/dbraw/zinc/56/67/01/548566701.db2.gz BOKSBGVURBKVSD-UHFFFAOYSA-N -1 3 357.458 2.495 10 0 FEAEHM C[C@@H]1C[C@@H](CC(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)CC(C)(C)C1 ZINC000262675138 549837724 /nfs/dbraw/zinc/83/77/24/549837724.db2.gz ADLKSYZKZWSDOE-OWCLPIDISA-N -1 3 354.491 2.083 10 0 FEAEHM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262929476 549863218 /nfs/dbraw/zinc/86/32/18/549863218.db2.gz XIDIAKNWGLMONV-BLLLJJGKSA-N -1 3 358.360 2.373 10 0 FEAEHM CCN(CC)[C@H](CNC(=O)N(C)C[C@@H](C)C(=O)[O-])c1cccc(OC)c1 ZINC000263091953 549876876 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2.119 10 0 FEAEHM CCCc1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2ccc(F)cc2)n1 ZINC000073685726 132377077 /nfs/dbraw/zinc/37/70/77/132377077.db2.gz ZTWVBZODTOHGBV-UHFFFAOYSA-N -1 3 358.417 2.442 10 0 FEAEHM O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)cc1[O-] ZINC000092603087 542873711 /nfs/dbraw/zinc/87/37/11/542873711.db2.gz PLTAZGHPIKKLLY-INIZCTEOSA-N -1 3 360.841 2.195 10 0 FEAEHM CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000130862077 544168578 /nfs/dbraw/zinc/16/85/78/544168578.db2.gz FWGCAHHIRGRVDT-ZDUSSCGKSA-N -1 3 367.409 2.198 10 0 FEAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)nc2Cl)C12CCOCC2 ZINC000193972674 328404734 /nfs/dbraw/zinc/40/47/34/328404734.db2.gz FKAMAGISIIEJRA-KBPBESRZSA-N -1 3 374.890 2.296 10 0 FEAEHM COc1cccc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1[O-] ZINC000113860883 325863964 /nfs/dbraw/zinc/86/39/64/325863964.db2.gz CKCOLAMAVCMIII-UHFFFAOYSA-N -1 3 372.469 2.310 10 0 FEAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n[n-]1 ZINC000119705036 326189738 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ZINC000262975846 549867566 /nfs/dbraw/zinc/86/75/66/549867566.db2.gz YBVPTRDBXVKMKD-INIZCTEOSA-N -1 3 363.845 2.105 10 0 FEAEHM COC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000295385693 552997536 /nfs/dbraw/zinc/99/75/36/552997536.db2.gz ULXLXHAVLZRWIB-UHFFFAOYSA-N -1 3 370.652 2.334 10 0 FEAEHM O=S(=O)([N-]CC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000154518621 672217943 /nfs/dbraw/zinc/21/79/43/672217943.db2.gz WJYUOYPPDKZTPU-SNVBAGLBSA-N -1 3 352.225 2.436 10 0 FEAEHM O=S(=O)([N-][C@@H]1COc2ccccc21)c1cncc(Br)c1 ZINC000070198915 541733422 /nfs/dbraw/zinc/73/34/22/541733422.db2.gz NCYVOEYSTKPEPK-GFCCVEGCSA-N -1 3 355.213 2.256 10 0 FEAEHM CC[C@H](C(=O)OC)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000071792940 221376453 /nfs/dbraw/zinc/37/64/53/221376453.db2.gz RNOLHKQNAQGKDF-NWDGAFQWSA-N -1 3 353.362 2.403 10 0 FEAEHM CC(=O)c1ccc(N2CCN(c3nc(C(F)(F)F)cc(=O)[n-]3)CC2)cc1 ZINC000057342514 132376326 /nfs/dbraw/zinc/37/63/26/132376326.db2.gz PFXDPHCVFIJAQT-UHFFFAOYSA-N -1 3 366.343 2.318 10 0 FEAEHM Cc1ccc2nc([N-]c3ncnc(N4CCN(C)CC4)c3N)sc2c1 ZINC000040726315 136119983 /nfs/dbraw/zinc/11/99/83/136119983.db2.gz UFAITZSCKRYTNZ-UHFFFAOYSA-N -1 3 355.471 2.472 10 0 FEAEHM COc1ccc([C@@H](C)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000107761902 543277645 /nfs/dbraw/zinc/27/76/45/543277645.db2.gz CGWJWRQPJFOLGV-OAHLLOKOSA-N -1 3 368.433 2.489 10 0 FEAEHM CCc1nccn1[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000130858758 544167966 /nfs/dbraw/zinc/16/79/66/544167966.db2.gz NWAIGWLUIFHFLH-CYBMUJFWSA-N -1 3 351.410 2.159 10 0 FEAEHM O=c1[n-]c(=O)n(Cc2sccc2Br)cc1Br ZINC000104255779 222354066 /nfs/dbraw/zinc/35/40/66/222354066.db2.gz STPHFKLQJZTYOH-UHFFFAOYSA-N -1 3 366.034 2.171 10 0 FEAEHM CCc1nc(C2([N-]S(=O)(=O)c3cn(C(C)C)cn3)CCCC2)no1 ZINC000153784840 544822431 /nfs/dbraw/zinc/82/24/31/544822431.db2.gz TZYBQWGKUXFNTQ-UHFFFAOYSA-N -1 3 353.448 2.157 10 0 FEAEHM COc1cc(F)c(S(=O)(=O)[N-][C@H](CC(C)C)CN(C)C)cc1OC ZINC000189141195 328130741 /nfs/dbraw/zinc/13/07/41/328130741.db2.gz ROABKYSHBPHFRZ-GFCCVEGCSA-N -1 3 362.467 2.098 10 0 FEAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192813790 328341462 /nfs/dbraw/zinc/34/14/62/328341462.db2.gz FQVMUWJSLBDQLG-CQSZACIVSA-N -1 3 364.490 2.290 10 0 FEAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)on1 ZINC000106144806 325586314 /nfs/dbraw/zinc/58/63/14/325586314.db2.gz DFBIFMIZAJQIGW-OAHLLOKOSA-N -1 3 374.489 2.079 10 0 FEAEHM Cc1cnn(C[C@@H]2CN(C(=O)c3c[n-]c4c(C)cccc4c3=O)CCO2)c1 ZINC000163503788 327053096 /nfs/dbraw/zinc/05/30/96/327053096.db2.gz SAASFJKBIXEJQC-HNNXBMFYSA-N -1 3 366.421 2.295 10 0 FEAEHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000172530155 327206097 /nfs/dbraw/zinc/20/60/97/327206097.db2.gz OMHZWHBTTYZGCS-AWEZNQCLSA-N -1 3 364.398 2.249 10 0 FEAEHM CCc1nc([C@@H]2CN(C(=O)c3ccc4ccccc4c3[O-])CCO2)n[nH]1 ZINC000173757216 327282064 /nfs/dbraw/zinc/28/20/64/327282064.db2.gz FNEDDIXFSRRABK-HNNXBMFYSA-N -1 3 352.394 2.440 10 0 FEAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC(C)(C)C1 ZINC000174822890 327353325 /nfs/dbraw/zinc/35/33/25/327353325.db2.gz OPLJZECAJSAFER-UHFFFAOYSA-N -1 3 367.405 2.453 10 0 FEAEHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1F ZINC000155845423 545576019 /nfs/dbraw/zinc/57/60/19/545576019.db2.gz NYOFGYRDUMCJNA-NSHDSACASA-N -1 3 366.480 2.300 10 0 FEAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000184818910 547882491 /nfs/dbraw/zinc/88/24/91/547882491.db2.gz ULDGUXIMFZXYAQ-SECBINFHSA-N -1 3 371.821 2.273 10 0 FEAEHM CCc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)cc1C(=O)[O-] ZINC000185153895 547942536 /nfs/dbraw/zinc/94/25/36/547942536.db2.gz VNURCGUQGZZDOE-GJZGRUSLSA-N -1 3 366.483 2.195 10 0 FEAEHM CCC[C@H](CC1CCCC1)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000262992171 549869060 /nfs/dbraw/zinc/86/90/60/549869060.db2.gz ZZNHIPKEPAPYTN-SJORKVTESA-N -1 3 354.491 2.227 10 0 FEAEHM CC(C)[C@@H](CC(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1)c1ccccc1 ZINC000263011523 549871140 /nfs/dbraw/zinc/87/11/40/549871140.db2.gz YQYVIKXQRPVQIN-ZWKOTPCHSA-N -1 3 362.470 2.060 10 0 FEAEHM CC(C)[C@@H](CC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1)c1ccccc1 ZINC000263011521 549871255 /nfs/dbraw/zinc/87/12/55/549871255.db2.gz YQYVIKXQRPVQIN-QZTJIDSGSA-N -1 3 362.470 2.060 10 0 FEAEHM Cc1cc(CN2CCO[C@@H](CN(C)CC(=O)[O-])C2)c(OC(F)F)cc1C ZINC000263531167 549907543 /nfs/dbraw/zinc/90/75/43/549907543.db2.gz WNUPRYPSFVYRFM-HNNXBMFYSA-N -1 3 372.412 2.122 10 0 FEAEHM COc1cc(/C=c2/s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc(Cl)c1[O-] ZINC000105741186 210246446 /nfs/dbraw/zinc/24/64/46/210246446.db2.gz KJZKMDWLCNJTQT-SDGJLLIDSA-N -1 3 367.854 2.029 10 0 FEAEHM CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067119297 541420562 /nfs/dbraw/zinc/42/05/62/541420562.db2.gz ADHLGEVIQCBWSM-HNNXBMFYSA-N -1 3 359.499 2.107 10 0 FEAEHM CC(C)n1c(CCNC(=O)[C@@H](Cc2ccccc2)N(C)C)n[n-]c1=S ZINC000067119125 541420633 /nfs/dbraw/zinc/42/06/33/541420633.db2.gz DDTUNJLPMSJOBS-OAHLLOKOSA-N -1 3 361.515 2.353 10 0 FEAEHM C[C@H]1CN([C@@H](C[N-]S(=O)(=O)c2ccco2)c2cccs2)CCO1 ZINC000188744180 328108033 /nfs/dbraw/zinc/10/80/33/328108033.db2.gz PVGKUALKKGHTGU-STQMWFEESA-N -1 3 356.469 2.081 10 0 FEAEHM O=C([N-]c1cnns1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000192055068 328297268 /nfs/dbraw/zinc/29/72/68/328297268.db2.gz NHEOPPQXUHWVDM-LBPRGKRZSA-N -1 3 358.423 2.429 10 0 FEAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000088786949 325302386 /nfs/dbraw/zinc/30/23/86/325302386.db2.gz GKJXNQLPYXFNHX-NSHDSACASA-N -1 3 358.826 2.446 10 0 FEAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccco1 ZINC000116212163 325999365 /nfs/dbraw/zinc/99/93/65/325999365.db2.gz CQHGHXPLEMWURN-LBPRGKRZSA-N -1 3 354.453 2.373 10 0 FEAEHM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119300810 326147090 /nfs/dbraw/zinc/14/70/90/326147090.db2.gz ZYWQNIAMVJXAHZ-LLVKDONJSA-N -1 3 362.434 2.442 10 0 FEAEHM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119300810 326147092 /nfs/dbraw/zinc/14/70/92/326147092.db2.gz ZYWQNIAMVJXAHZ-LLVKDONJSA-N -1 3 362.434 2.442 10 0 FEAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000157407867 326864397 /nfs/dbraw/zinc/86/43/97/326864397.db2.gz LZODUQNTCGMOTR-AWEZNQCLSA-N -1 3 355.373 2.140 10 0 FEAEHM CCc1c(C)nc(-c2ccccc2F)nc1N1CCN(CC(=O)[O-])CC1 ZINC000073685528 536070103 /nfs/dbraw/zinc/07/01/03/536070103.db2.gz ADDMNSJACQUYDJ-UHFFFAOYSA-N -1 3 358.417 2.360 10 0 FEAEHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183251350 547626907 /nfs/dbraw/zinc/62/69/07/547626907.db2.gz XZGCKLIJUKHGJT-HNNXBMFYSA-N -1 3 356.426 2.274 10 0 FEAEHM Cc1ccc([C@H](CNC(=O)c2cccc3nn[n-]c32)N2CCOCC2)s1 ZINC000188286389 548276794 /nfs/dbraw/zinc/27/67/94/548276794.db2.gz OPQAXWLJEITBMJ-HNNXBMFYSA-N -1 3 371.466 2.131 10 0 FEAEHM Cc1ccc([C@H](CNC(=O)c2cccc3[n-]nnc32)N2CCOCC2)s1 ZINC000188286389 548276798 /nfs/dbraw/zinc/27/67/98/548276798.db2.gz OPQAXWLJEITBMJ-HNNXBMFYSA-N -1 3 371.466 2.131 10 0 FEAEHM Cc1ccc([C@H](CNC(=O)c2cccc3n[n-]nc32)N2CCOCC2)s1 ZINC000188286389 548276802 /nfs/dbraw/zinc/27/68/02/548276802.db2.gz OPQAXWLJEITBMJ-HNNXBMFYSA-N -1 3 371.466 2.131 10 0 FEAEHM O=C(c1cccc2[n-]nnc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000188319821 548276962 /nfs/dbraw/zinc/27/69/62/548276962.db2.gz PVJHSNVGHWSGDN-AWEZNQCLSA-N -1 3 351.414 2.253 10 0 FEAEHM O=C(c1cccc2nn[n-]c21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000188319821 548276964 /nfs/dbraw/zinc/27/69/64/548276964.db2.gz PVJHSNVGHWSGDN-AWEZNQCLSA-N -1 3 351.414 2.253 10 0 FEAEHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000188319821 548276968 /nfs/dbraw/zinc/27/69/68/548276968.db2.gz PVJHSNVGHWSGDN-AWEZNQCLSA-N -1 3 351.414 2.253 10 0 FEAEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cncc(Br)c2)C[C@H](C)O1 ZINC000281688475 551130901 /nfs/dbraw/zinc/13/09/01/551130901.db2.gz YTNIDFVOPYQKLJ-JGPRNRPPSA-N -1 3 363.277 2.326 10 0 FEAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000390022389 558610495 /nfs/dbraw/zinc/61/04/95/558610495.db2.gz WXNJRVIJHJJORN-SECBINFHSA-N -1 3 353.307 2.192 10 0 FEAEHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000156921824 672252495 /nfs/dbraw/zinc/25/24/95/672252495.db2.gz XDFGNOSNDFGNHT-GWCFXTLKSA-N -1 3 353.444 2.131 10 0 FEAEHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2ccc(C(=O)NC)n2C)n1 ZINC000328620799 210112213 /nfs/dbraw/zinc/11/22/13/210112213.db2.gz ACULLJYXOQENBH-HNNXBMFYSA-N -1 3 357.458 2.170 10 0 FEAEHM CCC[C@@H](NCCS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000036838925 539995110 /nfs/dbraw/zinc/99/51/10/539995110.db2.gz BBFYAZLKSDQXSP-GFCCVEGCSA-N -1 3 364.261 2.066 10 0 FEAEHM O=S(=O)([N-]CC[C@@H]1CCCO1)c1ccc(F)cc1Br ZINC000040446111 540010558 /nfs/dbraw/zinc/01/05/58/540010558.db2.gz JXQRZOCJTYLNGK-JTQLQIEISA-N -1 3 352.225 2.436 10 0 FEAEHM CCN1CCN(Cc2ccc(-c3nc([C@@H]4CCCO4)cc(=O)[n-]3)cc2)CC1 ZINC000023399319 211387229 /nfs/dbraw/zinc/38/72/29/211387229.db2.gz YUJOLMWPWWYORI-IBGZPJMESA-N -1 3 368.481 2.426 10 0 FEAEHM CCN1CCN(Cc2ccc(-c3nc([C@H]4CCCO4)cc(=O)[n-]3)cc2)CC1 ZINC000023399321 211386571 /nfs/dbraw/zinc/38/65/71/211386571.db2.gz YUJOLMWPWWYORI-LJQANCHMSA-N -1 3 368.481 2.426 10 0 FEAEHM CN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C1CCN(C)CC1 ZINC000020342095 211274826 /nfs/dbraw/zinc/27/48/26/211274826.db2.gz GVLUUKKNXAGXGF-UHFFFAOYSA-N -1 3 365.499 2.290 10 0 FEAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000131943119 544212820 /nfs/dbraw/zinc/21/28/20/544212820.db2.gz AXHFSELETDDAQG-KRWDZBQOSA-N -1 3 368.437 2.126 10 0 FEAEHM CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C12CCOCC2 ZINC000185981391 327942073 /nfs/dbraw/zinc/94/20/73/327942073.db2.gz ZLALCTUCKZSCIM-HZPDHXFCSA-N -1 3 352.406 2.305 10 0 FEAEHM C[C@H](NC(=O)C(=O)[N-]c1cnns1)c1cccc(Br)c1 ZINC000191975834 328291408 /nfs/dbraw/zinc/29/14/08/328291408.db2.gz PWBGBNQAVSJEEI-ZETCQYMHSA-N -1 3 355.217 2.117 10 0 FEAEHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 ZINC000246151130 328594246 /nfs/dbraw/zinc/59/42/46/328594246.db2.gz GAHMKZJNQZRUSK-FCEWJHQRSA-N -1 3 365.495 2.343 10 0 FEAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000163765732 327058376 /nfs/dbraw/zinc/05/83/76/327058376.db2.gz CHNUDWTYSSXGQK-LJQANCHMSA-N -1 3 373.428 2.092 10 0 FEAEHM CN(C)[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000170861196 327103339 /nfs/dbraw/zinc/10/33/39/327103339.db2.gz MJMXWUYJUCWWJQ-KRWDZBQOSA-N -1 3 373.478 2.264 10 0 FEAEHM COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000263551213 328946672 /nfs/dbraw/zinc/94/66/72/328946672.db2.gz KZRCWASQJQIBEJ-IXDOHACOSA-N -1 3 360.454 2.305 10 0 FEAEHM Cc1nc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CCO2)n[nH]1 ZINC000180610994 547141971 /nfs/dbraw/zinc/14/19/71/547141971.db2.gz VCHRMEYFKXWNFX-GFCCVEGCSA-N -1 3 356.304 2.051 10 0 FEAEHM CN(CCOc1ccccc1C(=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000183934899 547740638 /nfs/dbraw/zinc/74/06/38/547740638.db2.gz ZJMUGJAYFCPUAR-OAHLLOKOSA-N -1 3 356.426 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C[C@@H]1CN([C@H](C[N-]S(=O)(=O)c2ccco2)c2cccs2)CCO1 ZINC000249287402 328763634 /nfs/dbraw/zinc/76/36/34/328763634.db2.gz PVGKUALKKGHTGU-CHWSQXEVSA-N -1 3 356.469 2.081 10 0 FEAEHM Cn1cc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CCC(=O)N2C)cn1 ZINC000175614873 546320997 /nfs/dbraw/zinc/32/09/97/546320997.db2.gz VIBDNBJQEHQPAH-BLLLJJGKSA-N -1 3 362.817 2.327 10 0 FEAEHM Cc1ccc([C@H](CNC(=O)c2ccc3n[n-]nc3c2)N2CCOCC2)s1 ZINC000176554210 546460820 /nfs/dbraw/zinc/46/08/20/546460820.db2.gz DNEDNMPQCQYXIH-INIZCTEOSA-N -1 3 371.466 2.131 10 0 FEAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000181151748 547259039 /nfs/dbraw/zinc/25/90/39/547259039.db2.gz GFPOHFJCOYCWCL-OAHLLOKOSA-N -1 3 358.442 2.143 10 0 FEAEHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCc3nnc(C(C)C)n3C2)c1F ZINC000181429665 547314247 /nfs/dbraw/zinc/31/42/47/547314247.db2.gz BPFOCXWRDRNPKA-LBPRGKRZSA-N -1 3 352.435 2.142 10 0 FEAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000184809047 547881266 /nfs/dbraw/zinc/88/12/66/547881266.db2.gz YGMIZGZPNJOOAR-GFCCVEGCSA-N -1 3 352.435 2.142 10 0 FEAEHM O=C(N[C@@H]1COc2ccccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000195107228 548578352 /nfs/dbraw/zinc/57/83/52/548578352.db2.gz UZLNIUUGMHHCLI-CVEARBPZSA-N -1 3 352.390 2.247 10 0 FEAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245518953 548938610 /nfs/dbraw/zinc/93/86/10/548938610.db2.gz AXYCUIWGLGHUCY-SMDDNHRTSA-N -1 3 374.890 2.134 10 0 FEAEHM CC[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCN1C[C@H](C)O ZINC000245707564 548979329 /nfs/dbraw/zinc/97/93/29/548979329.db2.gz MTHGIBYUOFJIGT-WCQYABFASA-N -1 3 371.275 2.072 10 0 FEAEHM CCCCOc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c([O-])c1 ZINC000248876600 549519941 /nfs/dbraw/zinc/51/99/41/549519941.db2.gz CVRWTWQQKRSGPL-CABCVRRESA-N -1 3 350.459 2.098 10 0 FEAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)NCC(C)(C)C2CCCCC2)CCO1 ZINC000263230999 549887471 /nfs/dbraw/zinc/88/74/71/549887471.db2.gz MJGBBCGGPWJPIH-MRXNPFEDSA-N -1 3 369.506 2.020 10 0 FEAEHM CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000016902323 220195759 /nfs/dbraw/zinc/19/57/59/220195759.db2.gz LXGIDXZPXAYWEF-UHFFFAOYSA-N -1 3 350.415 2.379 10 0 FEAEHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2F)CCN1c1ccc(F)cc1 ZINC000065229284 221182808 /nfs/dbraw/zinc/18/28/08/221182808.db2.gz JLXVDUVNROOKJD-MRXNPFEDSA-N -1 3 366.389 2.190 10 0 FEAEHM Cc1nc(C)n(C[C@H]2CCCN(Cc3c([O-])nnn3-c3ccccc3)C2)n1 ZINC000152730789 544688508 /nfs/dbraw/zinc/68/85/08/544688508.db2.gz KHXUZKZIKJSRAS-INIZCTEOSA-N -1 3 367.457 2.093 10 0 FEAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)ccc2F)C12CCOCC2 ZINC000185156580 327902976 /nfs/dbraw/zinc/90/29/76/327902976.db2.gz KFVPMGPSHAPSMR-JKSUJKDBSA-N -1 3 357.447 2.387 10 0 FEAEHM CCCCOc1ccc(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)c([O-])c1 ZINC000190435912 328207449 /nfs/dbraw/zinc/20/74/49/328207449.db2.gz LJVUZFUORHXRPH-CYBMUJFWSA-N -1 3 358.442 2.470 10 0 FEAEHM Cc1cccc(NC[C@H]2CCN(CC(=O)[N-]OCc3ccccc3)C2)n1 ZINC000119434221 326162137 /nfs/dbraw/zinc/16/21/37/326162137.db2.gz BKXGQNWGHYLLSC-GOSISDBHSA-N -1 3 354.454 2.372 10 0 FEAEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000131035266 326567683 /nfs/dbraw/zinc/56/76/83/326567683.db2.gz ONMKESOOEDQSPY-VXGBXAGGSA-N -1 3 372.462 2.152 10 0 FEAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000131942937 326584633 /nfs/dbraw/zinc/58/46/33/326584633.db2.gz AXHFSELETDDAQG-QGZVFWFLSA-N -1 3 368.437 2.126 10 0 FEAEHM CN(C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000170863576 327103702 /nfs/dbraw/zinc/10/37/02/327103702.db2.gz PLFCSUOAMGWOBX-KRWDZBQOSA-N -1 3 373.478 2.264 10 0 FEAEHM CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000176319920 546431900 /nfs/dbraw/zinc/43/19/00/546431900.db2.gz LPSJNDFMKJGIEN-GOEBONIOSA-N -1 3 358.417 2.416 10 0 FEAEHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)o1 ZINC000180660669 547153308 /nfs/dbraw/zinc/15/33/08/547153308.db2.gz XQCKXAUEAYWIRD-FZMZJTMJSA-N -1 3 356.382 2.221 10 0 FEAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000185718701 548024143 /nfs/dbraw/zinc/02/41/43/548024143.db2.gz GQCNPVDWIBGQEZ-LBPRGKRZSA-N -1 3 352.435 2.142 10 0 FEAEHM O=c1c(Br)c[n-]c2c(I)cncc12 ZINC000230094945 548757961 /nfs/dbraw/zinc/75/79/61/548757961.db2.gz DPHAZCODWVOWAR-UHFFFAOYSA-N -1 3 350.941 2.290 10 0 FEAEHM CC[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCN1C[C@H](C)O ZINC000246094847 549050834 /nfs/dbraw/zinc/05/08/34/549050834.db2.gz IWHSHAVMEPEZRQ-WCQYABFASA-N -1 3 371.275 2.072 10 0 FEAEHM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)n1 ZINC000246526003 549153443 /nfs/dbraw/zinc/15/34/43/549153443.db2.gz RQRCQKLWPZYRHY-HIFRSBDPSA-N -1 3 358.417 2.334 10 0 FEAEHM C[C@@H]1CN([C@H](CNC(=O)c2cccc3nn[n-]c32)c2cccs2)CCO1 ZINC000249764756 549626703 /nfs/dbraw/zinc/62/67/03/549626703.db2.gz IEFGHKHCZOCAIM-IUODEOHRSA-N -1 3 371.466 2.211 10 0 FEAEHM C[C@@H]1CN([C@H](CNC(=O)c2cccc3[n-]nnc32)c2cccs2)CCO1 ZINC000249764756 549626710 /nfs/dbraw/zinc/62/67/10/549626710.db2.gz IEFGHKHCZOCAIM-IUODEOHRSA-N -1 3 371.466 2.211 10 0 FEAEHM C[C@@H]1CN([C@H](CNC(=O)c2cccc3n[n-]nc32)c2cccs2)CCO1 ZINC000249764756 549626712 /nfs/dbraw/zinc/62/67/12/549626712.db2.gz IEFGHKHCZOCAIM-IUODEOHRSA-N -1 3 371.466 2.211 10 0 FEAEHM CC[C@H](CC1CCCCC1)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000262826927 549853502 /nfs/dbraw/zinc/85/35/02/549853502.db2.gz HLAATPYGUZTFJP-IAGOWNOFSA-N -1 3 354.491 2.227 10 0 FEAEHM Cc1c(C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000262871623 549857807 /nfs/dbraw/zinc/85/78/07/549857807.db2.gz CZOIFJWFGRTQCG-OAHLLOKOSA-N -1 3 374.437 2.215 10 0 FEAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCO1 ZINC000262988228 549868911 /nfs/dbraw/zinc/86/89/11/549868911.db2.gz VDLICVOKFLJXRA-IBGZPJMESA-N -1 3 370.449 2.016 10 0 FEAEHM CN(CC(=O)[O-])C[C@H]1CN(Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000263510728 549906361 /nfs/dbraw/zinc/90/63/61/549906361.db2.gz NGOVYIDNXAKQBR-IBGZPJMESA-N -1 3 362.470 2.225 10 0 FEAEHM CN(CC(=O)[O-])C[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC000263533127 549907833 /nfs/dbraw/zinc/90/78/33/549907833.db2.gz XROOKZYGXMOWRT-CYBMUJFWSA-N -1 3 364.339 2.062 10 0 FEAEHM CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc([O-])ccc2Cl)[C@H](O)C1 ZINC000702789611 673059919 /nfs/dbraw/zinc/05/99/19/673059919.db2.gz MRMBFNAWBNHDMD-QMTHXVAHSA-N -1 3 370.833 2.003 10 0 FEAEHM COCc1cc(=O)[n-]c(-c2ccccc2CN2CC[C@H](n3ccnc3)C2)n1 ZINC000023541645 539715719 /nfs/dbraw/zinc/71/57/19/539715719.db2.gz GUHVCYULKUNREC-KRWDZBQOSA-N -1 3 365.437 2.227 10 0 FEAEHM CN(C)[C@H](Cc1ccccc1)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067119298 541420325 /nfs/dbraw/zinc/42/03/25/541420325.db2.gz ADHLGEVIQCBWSM-OAHLLOKOSA-N -1 3 359.499 2.107 10 0 FEAEHM COC(=O)c1cccc(Oc2nc[n-]c(=O)c2[C@H]2CC(C)=NN2C(C)=O)c1 ZINC000072177736 541796115 /nfs/dbraw/zinc/79/61/15/541796115.db2.gz MXKQUYKXXYWZKT-CQSZACIVSA-N -1 3 370.365 2.018 10 0 FEAEHM O=C1[C@H]([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)CCN1c1ccccc1 ZINC000065229202 221182243 /nfs/dbraw/zinc/18/22/43/221182243.db2.gz RDSDSAPPEJLWAZ-MRXNPFEDSA-N -1 3 366.389 2.190 10 0 FEAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153435562 544775833 /nfs/dbraw/zinc/77/58/33/544775833.db2.gz NPBJTCXRQYLSGI-AWEZNQCLSA-N -1 3 368.455 2.359 10 0 FEAEHM CCCCOc1ccc(C(=O)N[C@H]2CCc3nc(CC)nn3C2)c([O-])c1 ZINC000190435930 328207498 /nfs/dbraw/zinc/20/74/98/328207498.db2.gz LJVUZFUORHXRPH-ZDUSSCGKSA-N -1 3 358.442 2.470 10 0 FEAEHM O=C([N-]CCCN1CCCC[C@H]1c1nnc2n1CCCC2)C(F)(F)F ZINC000091553181 325387012 /nfs/dbraw/zinc/38/70/12/325387012.db2.gz UBQFSLZXOYHRAP-LBPRGKRZSA-N -1 3 359.396 2.210 10 0 FEAEHM Cn1cc(CCC[N-]S(=O)(=O)c2ccc(Br)s2)cn1 ZINC000102662096 325496873 /nfs/dbraw/zinc/49/68/73/325496873.db2.gz SGITYZFLWHKHDE-UHFFFAOYSA-N -1 3 364.290 2.155 10 0 FEAEHM C[C@H]1COC[C@H](C)N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000131035054 326567708 /nfs/dbraw/zinc/56/77/08/326567708.db2.gz ONMKESOOEDQSPY-RYUDHWBXSA-N -1 3 372.462 2.152 10 0 FEAEHM CCC1CCC([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000155465105 326788690 /nfs/dbraw/zinc/78/86/90/326788690.db2.gz HDPJWMLJGGMLOQ-UHFFFAOYSA-N -1 3 363.476 2.476 10 0 FEAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1ccc(F)cc1C(F)(F)F ZINC000176746628 327473204 /nfs/dbraw/zinc/47/32/04/327473204.db2.gz RYJHWYITHSDPAW-SNVBAGLBSA-N -1 3 364.324 2.249 10 0 FEAEHM CCCc1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2ccccc2F)n1 ZINC000073685520 521368121 /nfs/dbraw/zinc/36/81/21/521368121.db2.gz KUAZZCKCCJCVIC-UHFFFAOYSA-N -1 3 358.417 2.442 10 0 FEAEHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000184908733 547897318 /nfs/dbraw/zinc/89/73/18/547897318.db2.gz PQDDUEKJCOYIRB-GFCCVEGCSA-N -1 3 374.462 2.409 10 0 FEAEHM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1CC ZINC000185153225 547941332 /nfs/dbraw/zinc/94/13/32/547941332.db2.gz RFDOOVAXRYOWRY-HOTGVXAUSA-N -1 3 366.483 2.195 10 0 FEAEHM CCn1cc(C2CCN(CC(=O)[N-]C(=O)c3ccc(OC)cc3)CC2)cn1 ZINC000195499971 548650806 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CCc1c(C)nc(-c2cccc(F)c2)nc1N1CCN(CC(=O)[O-])CC1 ZINC000073685495 536069263 /nfs/dbraw/zinc/06/92/63/536069263.db2.gz XWKFSXVPGMSGJI-UHFFFAOYSA-N -1 3 358.417 2.360 10 0 FEAEHM O=C(c1ccc2n[n-]nc2c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176403500 546441299 /nfs/dbraw/zinc/44/12/99/546441299.db2.gz JKCLXRAKVDLUHZ-OAHLLOKOSA-N -1 3 351.414 2.253 10 0 FEAEHM C[C@@H](SC[C@H](O)CO)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000177424679 546615112 /nfs/dbraw/zinc/61/51/12/546615112.db2.gz XTXQGIGDHWPXLJ-RKDXNWHRSA-N -1 3 352.437 2.392 10 0 FEAEHM CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)CC2 ZINC000181723779 547368337 /nfs/dbraw/zinc/36/83/37/547368337.db2.gz UXGRTDMMWBLGLU-NSHDSACASA-N -1 3 372.853 2.487 10 0 FEAEHM CC(C)c1nnc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)n1C ZINC000183516738 547674222 /nfs/dbraw/zinc/67/42/22/547674222.db2.gz RUANPQYHKTXXCV-UHFFFAOYSA-N -1 3 366.491 2.153 10 0 FEAEHM CC(C)c1nnc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)n1C ZINC000183516738 547674225 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10 0 FEAEHM CCN(CC)[C@@H](C)C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000157263711 672256864 /nfs/dbraw/zinc/25/68/64/672256864.db2.gz ABWVLGMRWHDCNU-ZETCQYMHSA-N -1 3 360.348 2.391 10 0 FEAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1cccs1 ZINC000023436388 539715304 /nfs/dbraw/zinc/71/53/04/539715304.db2.gz VBOUZWGOAVIKGL-QWRGUYRKSA-N -1 3 356.444 2.431 10 0 FEAEHM O=c1nc2n(nc1-c1ccc([O-])cc1)[C@@](O)(c1ccc(Cl)cc1)CS2 ZINC000027526381 539808753 /nfs/dbraw/zinc/80/87/53/539808753.db2.gz ISAKUXFCNZIHAI-KRWDZBQOSA-N -1 3 373.821 2.463 10 0 FEAEHM CCN1CC[C@@H](C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000042524735 208294713 /nfs/dbraw/zinc/29/47/13/208294713.db2.gz BUZQAUCKOXJLOT-VIFPVBQESA-N -1 3 353.307 2.131 10 0 FEAEHM C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H](C)N1 ZINC000005929741 132377539 /nfs/dbraw/zinc/37/75/39/132377539.db2.gz YTURORCTXHHHCR-GHMZBOCLSA-N -1 3 359.401 2.360 10 0 FEAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000104734535 543141198 /nfs/dbraw/zinc/14/11/98/543141198.db2.gz UCFKNRURZNSEIP-OQPBUACISA-N -1 3 364.826 2.283 10 0 FEAEHM CCc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c([O-])c1 ZINC000188370808 328083014 /nfs/dbraw/zinc/08/30/14/328083014.db2.gz QCBJKEAEGDKPMT-SFHVURJKSA-N -1 3 354.450 2.104 10 0 FEAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000173056910 327232932 /nfs/dbraw/zinc/23/29/32/327232932.db2.gz IXVJQUBMQHKSBT-SNVBAGLBSA-N -1 3 365.268 2.351 10 0 FEAEHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000155660126 545554981 /nfs/dbraw/zinc/55/49/81/545554981.db2.gz AYFIKYBLPXOHJP-NSHDSACASA-N -1 3 366.414 2.495 10 0 FEAEHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)c3nnc4n3CCCC4)c[n-]c12 ZINC000156305827 545616133 /nfs/dbraw/zinc/61/61/33/545616133.db2.gz OZRZVVBNCUIIBE-LLVKDONJSA-N -1 3 369.400 2.394 10 0 FEAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)cn1 ZINC000184921066 547901558 /nfs/dbraw/zinc/90/15/58/547901558.db2.gz OARUYFIXJRXHPW-SECBINFHSA-N -1 3 371.821 2.273 10 0 FEAEHM CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000185154676 547942441 /nfs/dbraw/zinc/94/24/41/547942441.db2.gz LHURIPCWSOFHCL-QWHCGFSZSA-N -1 3 370.446 2.080 10 0 FEAEHM CCN1CCC[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000186012918 548072987 /nfs/dbraw/zinc/07/29/87/548072987.db2.gz JMEHBTLFMWTXLU-CQSZACIVSA-N -1 3 372.425 2.155 10 0 FEAEHM Cc1ccc2oc(N3CCN(C(=O)c4cccc5[n-]nnc54)CC3)nc2c1 ZINC000187900603 548267017 /nfs/dbraw/zinc/26/70/17/548267017.db2.gz DDOBUMDOCGLCDX-UHFFFAOYSA-N -1 3 362.393 2.370 10 0 FEAEHM Cc1ccc2oc(N3CCN(C(=O)c4cccc5nn[n-]c54)CC3)nc2c1 ZINC000187900603 548267023 /nfs/dbraw/zinc/26/70/23/548267023.db2.gz DDOBUMDOCGLCDX-UHFFFAOYSA-N -1 3 362.393 2.370 10 0 FEAEHM Cc1ccc2oc(N3CCN(C(=O)c4cccc5n[n-]nc54)CC3)nc2c1 ZINC000187900603 548267029 /nfs/dbraw/zinc/26/70/29/548267029.db2.gz DDOBUMDOCGLCDX-UHFFFAOYSA-N -1 3 362.393 2.370 10 0 FEAEHM CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cccc2[n-]nnc21 ZINC000188286252 548276767 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CCc1cc2c(CN3C[C@@H](C)[C@@H](N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000246509543 549149953 /nfs/dbraw/zinc/14/99/53/549149953.db2.gz QMZBRNACKSTWEJ-KDOFPFPSSA-N -1 3 372.465 2.214 10 0 FEAEHM CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H](C)C(=O)[O-])c1cccc(OC)c1 ZINC000263091948 549877041 /nfs/dbraw/zinc/87/70/41/549877041.db2.gz VQYJSEQAPISPKX-PBHICJAKSA-N -1 3 365.474 2.440 10 0 FEAEHM C[C@@H]1CN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@H]1C(=O)[O-] ZINC000263330912 549895197 /nfs/dbraw/zinc/89/51/97/549895197.db2.gz LMUWAEYMLQWPCJ-GYSYKLTISA-N -1 3 356.344 2.463 10 0 FEAEHM CCN1CCC[C@H]1CNC(=O)c1c([O-])ccc(Br)c1OC ZINC000005851784 539417691 /nfs/dbraw/zinc/41/76/91/539417691.db2.gz QRMZHEDLUQMLGK-JTQLQIEISA-N -1 3 357.248 2.377 10 0 FEAEHM Cc1[n-][nH]c(=O)c1CC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000072436503 541814225 /nfs/dbraw/zinc/81/42/25/541814225.db2.gz NCBNFPYOJBTCAA-HNNXBMFYSA-N -1 3 362.861 2.400 10 0 FEAEHM CN1OC[C@H](S(=O)(=O)[N-]Cc2ccco2)[C@@H]1c1ccnc2ccccc21 ZINC000106610922 543241567 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FEAEHM C[C@@](O)(C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccsc1 ZINC000246936993 549247041 /nfs/dbraw/zinc/24/70/41/549247041.db2.gz JHSFZTGARGLUHW-VUCTXSBTSA-N -1 3 371.524 2.270 10 0 FEAEHM CN(CC(=O)[O-])C[C@H]1CN(c2nc(-c3ccc(F)cc3)cs2)CCO1 ZINC000262198058 549797570 /nfs/dbraw/zinc/79/75/70/549797570.db2.gz ZRSQZINQHSAXBI-AWEZNQCLSA-N -1 3 365.430 2.171 10 0 FEAEHM CN(CC(=O)[O-])C[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000262916693 549862084 /nfs/dbraw/zinc/86/20/84/549862084.db2.gz RHCYLHHJCVLVMI-OAHLLOKOSA-N -1 3 361.467 2.027 10 0 FEAEHM CCCCC1CCC(C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)CC1 ZINC000262966825 549866707 /nfs/dbraw/zinc/86/67/07/549866707.db2.gz RDOOLZHCVSMXNJ-OFLPRAFFSA-N -1 3 354.491 2.227 10 0 FEAEHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000262996321 549869522 /nfs/dbraw/zinc/86/95/22/549869522.db2.gz WGGBDEOMRGOEBF-CEXWTWQISA-N -1 3 374.481 2.157 10 0 FEAEHM CN(CC(=O)[O-])C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)CCO1 ZINC000263524995 549906790 /nfs/dbraw/zinc/90/67/90/549906790.db2.gz SWFQJFLZALRILP-OAHLLOKOSA-N -1 3 362.401 2.303 10 0 FEAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000183639445 672474536 /nfs/dbraw/zinc/47/45/36/672474536.db2.gz BWLKFOCDQPEHMK-KBPBESRZSA-N -1 3 359.392 2.109 10 0 FEAEHM CN1CCCC(C)(C)[C@H]1CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263369670 672931652 /nfs/dbraw/zinc/93/16/52/672931652.db2.gz MNYXHGTZPLYMLO-IJLUTSLNSA-N -1 3 365.396 2.011 10 0 FEAEHM CC(=O)N1c2ccc(Br)cc2C(=C2SC(=O)[N-]C2=O)C1=O ZINC000005480920 539412045 /nfs/dbraw/zinc/41/20/45/539412045.db2.gz BLOWYRARCAXHLG-KTKRTIGZSA-N -1 3 367.180 2.036 10 0 FEAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000056158867 540708217 /nfs/dbraw/zinc/70/82/17/540708217.db2.gz OLTNEVYMACNPJJ-WCQYABFASA-N -1 3 366.464 2.055 10 0 FEAEHM CCCCS(=O)(=O)[N-]Cc1nc(C(=O)N2CCC(C)CC2)c(C)o1 ZINC000065293834 541233442 /nfs/dbraw/zinc/23/34/42/541233442.db2.gz ZAWXBMWPQUVPDS-UHFFFAOYSA-N -1 3 357.476 2.075 10 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/nfs/dbraw/zinc/26/18/23/325261823.db2.gz KTQKTTWQZVYENR-RKDXNWHRSA-N -1 3 354.291 2.340 10 0 FEAEHM Cc1cnn(CCNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000127880818 326514080 /nfs/dbraw/zinc/51/40/80/326514080.db2.gz ZGLWINQNVUWCEB-UHFFFAOYSA-N -1 3 353.220 2.159 10 0 FEAEHM CN(C)[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000170861032 327103317 /nfs/dbraw/zinc/10/33/17/327103317.db2.gz KGUVUPSXOFWUII-QGZVFWFLSA-N -1 3 373.478 2.264 10 0 FEAEHM Cc1csc([C@@H]2CCCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2)n1 ZINC000173585728 327269174 /nfs/dbraw/zinc/26/91/74/327269174.db2.gz NMKLUYCOOVCRSG-CQSZACIVSA-N -1 3 360.483 2.490 10 0 FEAEHM O=C(c1ccc2n[n-]nc2c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176403514 546441351 /nfs/dbraw/zinc/44/13/51/546441351.db2.gz JKCLXRAKVDLUHZ-HNNXBMFYSA-N -1 3 351.414 2.253 10 0 FEAEHM CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000184913479 547898852 /nfs/dbraw/zinc/89/88/52/547898852.db2.gz SNGCSZMMYNNVAI-JTQLQIEISA-N -1 3 362.879 2.355 10 0 FEAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C)c2F)C12CCOCC2 ZINC000185152792 547941668 /nfs/dbraw/zinc/94/16/68/547941668.db2.gz IATKPBNRHGZBHM-LSDHHAIUSA-N -1 3 357.447 2.387 10 0 FEAEHM C[C@@H]1CN([C@@H](CNC(=O)c2cccc3nn[n-]c32)c2cccs2)CCO1 ZINC000188286783 548276483 /nfs/dbraw/zinc/27/64/83/548276483.db2.gz IEFGHKHCZOCAIM-DOMZBBRYSA-N -1 3 371.466 2.211 10 0 FEAEHM C[C@@H]1CN([C@@H](CNC(=O)c2cccc3[n-]nnc32)c2cccs2)CCO1 ZINC000188286783 548276487 /nfs/dbraw/zinc/27/64/87/548276487.db2.gz IEFGHKHCZOCAIM-DOMZBBRYSA-N -1 3 371.466 2.211 10 0 FEAEHM C[C@@H]1CN([C@@H](CNC(=O)c2cccc3n[n-]nc32)c2cccs2)CCO1 ZINC000188286783 548276493 /nfs/dbraw/zinc/27/64/93/548276493.db2.gz IEFGHKHCZOCAIM-DOMZBBRYSA-N -1 3 371.466 2.211 10 0 FEAEHM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCN2CCCC[C@H]2C1 ZINC000195067234 548572386 /nfs/dbraw/zinc/57/23/86/548572386.db2.gz CVSJNXGPFNGQTF-LBPRGKRZSA-N -1 3 363.512 2.366 10 0 FEAEHM CC(C)c1ccc(C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1Cl ZINC000263438531 549901007 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Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccccc1Br ZINC000177003837 327489870 /nfs/dbraw/zinc/48/98/70/327489870.db2.gz MJEBFYOVCGENMB-NSHDSACASA-N -1 3 371.260 2.162 10 0 FEAEHM CN1C(=O)C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)[C@@H]1c1ccc(F)cc1 ZINC000158659629 545881745 /nfs/dbraw/zinc/88/17/45/545881745.db2.gz ICTVLWKRLVJGMZ-KOLCDFICSA-N -1 3 371.294 2.121 10 0 FEAEHM CN1C(=O)C[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)[C@@H]1c1ccc(F)cc1 ZINC000158659629 545881752 /nfs/dbraw/zinc/88/17/52/545881752.db2.gz ICTVLWKRLVJGMZ-KOLCDFICSA-N -1 3 371.294 2.121 10 0 FEAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCO1 ZINC000262875646 549858126 /nfs/dbraw/zinc/85/81/26/549858126.db2.gz DOIZOMZMNPDICT-LJQANCHMSA-N -1 3 368.433 2.211 10 0 FEAEHM Nc1c([O-])c(I)ccc1I ZINC000306823974 553751489 /nfs/dbraw/zinc/75/14/89/553751489.db2.gz VDEAVMJGXREOFX-UHFFFAOYSA-N -1 3 360.920 2.184 10 0 FEAEHM