smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000393090327 836061836 /nfs/dbraw/zinc/06/18/36/836061836.db2.gz RTVMFCLXOKIJLN-UHFFFAOYSA-N -1 2 374.325 0.406 20 0 FCADLM COc1cccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1OCC(=O)[O-] ZINC001139272142 849334544 /nfs/dbraw/zinc/33/45/44/849334544.db2.gz YVEFSFGWNMQVHY-UHFFFAOYSA-N -1 2 351.447 0.838 20 0 FCADLM CSc1ncc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)c(=O)[nH]1 ZINC001277792198 862092379 /nfs/dbraw/zinc/09/23/79/862092379.db2.gz KOAPARMLTOTPQC-RYUDHWBXSA-N -1 2 365.459 0.281 20 0 FCADLM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1 ZINC001185052743 851336537 /nfs/dbraw/zinc/33/65/37/851336537.db2.gz QHYYACMAOXIPIX-UHFFFAOYSA-N -1 2 370.774 0.745 20 0 FCADLM CCOC(=O)C([N-]S(=O)(=O)Cc1ccc(F)c(F)c1)C(=O)OCC ZINC001189328958 851779676 /nfs/dbraw/zinc/77/96/76/851779676.db2.gz CCEGQYMMOPUZFB-UHFFFAOYSA-N -1 2 365.354 0.879 20 0 FCADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(N3CCOCC3)ncn2)c1 ZINC001260183253 858351529 /nfs/dbraw/zinc/35/15/29/858351529.db2.gz GNCVBOPCLFEGIO-UHFFFAOYSA-N -1 2 364.383 0.812 20 0 FCADLM O=C(c1ncc(Br)cc1O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001302137316 866311659 /nfs/dbraw/zinc/31/16/59/866311659.db2.gz LXHXQVZGDHLLMK-ZETCQYMHSA-N -1 2 355.152 0.277 20 0 FCADLM CC1(C(=O)NCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)CCC1 ZINC001575593159 950305322 /nfs/dbraw/zinc/30/53/22/950305322.db2.gz LRELYZSFAGRHNR-UHFFFAOYSA-N -1 2 370.461 0.690 20 0 FCADLM O=C([O-])CC1(NC(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)CCOCC1 ZINC001594980288 950982748 /nfs/dbraw/zinc/98/27/48/950982748.db2.gz SVEUWQQCTJIFBB-UHFFFAOYSA-N -1 2 362.342 0.020 20 0 FCADLM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001571058530 951908801 /nfs/dbraw/zinc/90/88/01/951908801.db2.gz JDQSEVVPCLRJKG-DZGCQCFKSA-N -1 2 369.433 0.711 20 0 FCADLM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1F ZINC001594897174 954576811 /nfs/dbraw/zinc/57/68/11/954576811.db2.gz WCZAUYHVRGSZBH-POYBYMJQSA-N -1 2 352.244 0.285 20 0 FCADLM C[C@@](CNC(=O)Nc1nn[nH]c1C(=O)NC1CC1)(C(=O)[O-])c1ccccc1 ZINC001589057328 955709179 /nfs/dbraw/zinc/70/91/79/955709179.db2.gz VHVUJCMDPZMSKY-KRWDZBQOSA-N -1 2 372.385 0.861 20 0 FCADLM C[C@@H](C(=O)[O-])C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC001573374412 958648169 /nfs/dbraw/zinc/64/81/69/958648169.db2.gz JAJWEAWPNPTVGX-SSDOTTSWSA-N -1 2 356.385 0.998 20 0 FCADLM Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594475628 959594160 /nfs/dbraw/zinc/59/41/60/959594160.db2.gz PRUPXYGBPPGRFL-MWLCHTKSSA-N -1 2 362.308 0.314 20 0 FCADLM Cc1nccn1CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594475628 959594178 /nfs/dbraw/zinc/59/41/78/959594178.db2.gz PRUPXYGBPPGRFL-MWLCHTKSSA-N -1 2 362.308 0.314 20 0 FCADLM CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001334163566 961763258 /nfs/dbraw/zinc/76/32/58/961763258.db2.gz CGFVPCLYQQKSMW-KBXCAEBGSA-N -1 2 364.446 0.785 20 0 FCADLM CCOC(=O)Cn1cnc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC001596637958 984629963 /nfs/dbraw/zinc/62/99/63/984629963.db2.gz SNUDBBWEZOZQJI-UHFFFAOYSA-N -1 2 368.371 0.649 20 0 FCADLM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)n1 ZINC001589675071 987686558 /nfs/dbraw/zinc/68/65/58/987686558.db2.gz KAHREZIJXJSYNG-SECBINFHSA-N -1 2 363.378 0.938 20 0 FCADLM C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1nn(C)cc1O ZINC001593139355 993915805 /nfs/dbraw/zinc/91/58/05/993915805.db2.gz XIRIYAYMKACNKR-IUCAKERBSA-N -1 2 356.379 0.671 20 0 FCADLM COCc1nnc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)[nH]1 ZINC001599306502 997326373 /nfs/dbraw/zinc/32/63/73/997326373.db2.gz VVIFAECQDKEDTM-UHFFFAOYSA-N -1 2 351.294 0.043 20 0 FCADLM COc1cc(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)ccc1C(=O)[O-] ZINC001599409976 997403416 /nfs/dbraw/zinc/40/34/16/997403416.db2.gz IQDJPFQFWCUKDG-UHFFFAOYSA-N -1 2 357.326 0.094 20 0 FCADLM COc1ccc([C@H](NC(=O)C[C@@H]2SC(=N)NC2=O)C(=O)[O-])c(OC)c1 ZINC001599520221 997466080 /nfs/dbraw/zinc/46/60/80/997466080.db2.gz QVZYWKHHKVNAAW-JQWIXIFHSA-N -1 2 367.383 0.502 20 0 FCADLM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cn(C)nc2OC)c1 ZINC001598923463 997613263 /nfs/dbraw/zinc/61/32/63/997613263.db2.gz KTPDAGKAENMIOF-UHFFFAOYSA-N -1 2 369.355 0.714 20 0 FCADLM C[C@]1(C[C@@H]2CCCN2c2cc(N3CCC[C@@H]3CO)nc[nH+]2)NC(=O)NC1=O ZINC000292973674 214135533 /nfs/dbraw/zinc/13/55/33/214135533.db2.gz HLMQWHWFORUPSZ-VEVIJQCQSA-N -1 2 374.445 0.395 20 0 FCADLM CCOC(=O)C(C)(C)O[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000295479899 214299783 /nfs/dbraw/zinc/29/97/83/214299783.db2.gz DRSUQWXNAPFVGK-UHFFFAOYSA-N -1 2 350.419 0.593 20 0 FCADLM CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000227197112 209340217 /nfs/dbraw/zinc/34/02/17/209340217.db2.gz GGTHSOCBLVDRMT-VIFPVBQESA-N -1 2 353.275 0.913 20 0 FCADLM NC(=O)Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000324473846 488906329 /nfs/dbraw/zinc/90/63/29/488906329.db2.gz DYBGYPDOCSCEEM-UHFFFAOYSA-N -1 2 358.763 0.521 20 0 FCADLM Cc1nn(C)cc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCCO2 ZINC000554531175 491208125 /nfs/dbraw/zinc/20/81/25/491208125.db2.gz YLXKZJUKQVNION-UHFFFAOYSA-N -1 2 353.356 0.999 20 0 FCADLM CC(=O)NCCN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@@H](C)C(=O)[O-] ZINC000262272084 488560388 /nfs/dbraw/zinc/56/03/88/488560388.db2.gz UWVWDWNDPCKXJY-NSHDSACASA-N -1 2 360.370 0.629 20 0 FCADLM CC(C)(CNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)CC(=O)[O-] ZINC000275031669 488755059 /nfs/dbraw/zinc/75/50/59/488755059.db2.gz QBGDAURSFDFLLA-UHFFFAOYSA-N -1 2 356.360 0.215 20 0 FCADLM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000275132582 488764672 /nfs/dbraw/zinc/76/46/72/488764672.db2.gz PJAMUBXPIQFCJD-GMSGAONNSA-N -1 2 370.387 0.556 20 0 FCADLM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000364803064 489003448 /nfs/dbraw/zinc/00/34/48/489003448.db2.gz BFEONIAUXFPSTP-CYBMUJFWSA-N -1 2 354.344 0.064 20 0 FCADLM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000428045957 489634805 /nfs/dbraw/zinc/63/48/05/489634805.db2.gz SIHVAKZOPIVVRK-GFCCVEGCSA-N -1 2 354.322 0.862 20 0 FCADLM COC(=O)Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000489693692 489724604 /nfs/dbraw/zinc/72/46/04/489724604.db2.gz FGGSCILFKSLXLN-UHFFFAOYSA-N -1 2 357.319 0.694 20 0 FCADLM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cn1 ZINC000475796880 489849549 /nfs/dbraw/zinc/84/95/49/489849549.db2.gz YLSXAKOCJIJWNU-UHFFFAOYSA-N -1 2 372.380 0.690 20 0 FCADLM COC(=O)Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000475829327 489853201 /nfs/dbraw/zinc/85/32/01/489853201.db2.gz HINBTLFVGDSAMK-UHFFFAOYSA-N -1 2 359.385 0.925 20 0 FCADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(N)=O)n1 ZINC000476420157 489887005 /nfs/dbraw/zinc/88/70/05/489887005.db2.gz BVCLNLIWROHHOL-UHFFFAOYSA-N -1 2 372.790 0.829 20 0 FCADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000390396903 490138071 /nfs/dbraw/zinc/13/80/71/490138071.db2.gz AFFXPCSHIUBIQJ-UHFFFAOYSA-N -1 2 360.369 0.886 20 0 FCADLM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000422683558 490454016 /nfs/dbraw/zinc/45/40/16/490454016.db2.gz CUCUOEANYTWMOQ-DTWKUNHWSA-N -1 2 354.432 0.765 20 0 FCADLM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000540293082 490814407 /nfs/dbraw/zinc/81/44/07/490814407.db2.gz TVNVUYPBRKRUGS-UHFFFAOYSA-N -1 2 368.371 0.886 20 0 FCADLM C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)C2)C1 ZINC000516078415 490849829 /nfs/dbraw/zinc/84/98/29/490849829.db2.gz JCMKZGYTUBXTTQ-INIZCTEOSA-N -1 2 351.476 0.750 20 0 FCADLM CNC(=O)Cn1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000516221140 490857576 /nfs/dbraw/zinc/85/75/76/490857576.db2.gz QAMCGMFFCNFNKX-UHFFFAOYSA-N -1 2 352.372 0.057 20 0 FCADLM Cc1nn(C)c2ncc(S(=O)(=O)Nc3cnn(C)c3C(=O)[O-])cc12 ZINC000566611273 491455899 /nfs/dbraw/zinc/45/58/99/491455899.db2.gz CBIDDNRHTGHFOB-UHFFFAOYSA-N -1 2 350.360 0.509 20 0 FCADLM CCc1ccc([C@@H]2C[N@H+](Cc3cc(=O)n4nc(N)[nH]c4n3)CCO2)cc1 ZINC000621285663 492370045 /nfs/dbraw/zinc/37/00/45/492370045.db2.gz HLJHNPKNVZFVHT-HNNXBMFYSA-N -1 2 354.414 0.966 20 0 FCADLM C[C@]1(c2ccc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2)NC(=O)NC1=O ZINC000682487253 493303575 /nfs/dbraw/zinc/30/35/75/493303575.db2.gz QPWQWKCEYJADPZ-ORAYPTAESA-N -1 2 367.409 0.817 20 0 FCADLM CC(C)(CCNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000424388542 535040497 /nfs/dbraw/zinc/04/04/97/535040497.db2.gz HGXQYJGQSSKAAS-UHFFFAOYSA-N -1 2 356.360 0.215 20 0 FCADLM COC(=O)Cn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cn1 ZINC000436993425 536382255 /nfs/dbraw/zinc/38/22/55/536382255.db2.gz BZAZBBPIODMJNJ-UHFFFAOYSA-N -1 2 355.328 0.261 20 0 FCADLM CCn1cc(S(=O)(=O)Nc2cc(C)n(CC(=O)NC)n2)cc1C(=O)[O-] ZINC000504264948 546518434 /nfs/dbraw/zinc/51/84/34/546518434.db2.gz AUAGRZAFQXXASU-UHFFFAOYSA-N -1 2 369.403 0.258 20 0 FCADLM CN(C)C(=O)Cn1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC000737350035 600099069 /nfs/dbraw/zinc/09/90/69/600099069.db2.gz PNMIWOBBPVISCN-UHFFFAOYSA-N -1 2 352.372 0.470 20 0 FCADLM O=C([O-])CCN(Cc1ccccc1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000739723495 600152207 /nfs/dbraw/zinc/15/22/07/600152207.db2.gz KNNWFWVTTIDBBY-UHFFFAOYSA-N -1 2 355.354 0.575 20 0 FCADLM C[C@H](CN(Cc1ccccc1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)[O-] ZINC000736582500 600152766 /nfs/dbraw/zinc/15/27/66/600152766.db2.gz IPFJRAKZWFJPIO-GFCCVEGCSA-N -1 2 369.381 0.821 20 0 FCADLM CCn1c(=O)c2ccc(C(=O)N(CCOC)CC(=O)[O-])cc2[nH]c1=S ZINC000737296321 600420076 /nfs/dbraw/zinc/42/00/76/600420076.db2.gz WTMBEGVKOOEERC-UHFFFAOYSA-N -1 2 365.411 0.878 20 0 FCADLM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000321070864 600529354 /nfs/dbraw/zinc/52/93/54/600529354.db2.gz PPUNNUHGMOOILL-UHFFFAOYSA-N -1 2 359.385 0.172 20 0 FCADLM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000738660885 600529656 /nfs/dbraw/zinc/52/96/56/600529656.db2.gz XMPPZBLTZIGNQE-UHFFFAOYSA-N -1 2 373.412 0.480 20 0 FCADLM Cc1cc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1C(=O)N(C)C ZINC000832899321 600684232 /nfs/dbraw/zinc/68/42/32/600684232.db2.gz IERNODXVSFXEDA-UHFFFAOYSA-N -1 2 366.399 0.779 20 0 FCADLM COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1C ZINC000737703709 600890790 /nfs/dbraw/zinc/89/07/90/600890790.db2.gz ZYALHNXJGSQTGC-UHFFFAOYSA-N -1 2 353.356 0.864 20 0 FCADLM COCCOc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1 ZINC000325117538 600977856 /nfs/dbraw/zinc/97/78/56/600977856.db2.gz PCHBUXOVOZVPPJ-UHFFFAOYSA-N -1 2 356.360 0.189 20 0 FCADLM CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC000831038801 600982337 /nfs/dbraw/zinc/98/23/37/600982337.db2.gz UNULXJXCINNGJT-UHFFFAOYSA-N -1 2 371.396 0.489 20 0 FCADLM CN1C(=O)c2ccc(S(=O)(=O)Nc3cc(C(=O)[O-])ccn3)cc2C1=O ZINC000830907631 600982369 /nfs/dbraw/zinc/98/23/69/600982369.db2.gz OLLWHJKUFFKUQO-UHFFFAOYSA-N -1 2 361.335 0.806 20 0 FCADLM COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000831384872 600986763 /nfs/dbraw/zinc/98/67/63/600986763.db2.gz DZEKDPPGBLVDTE-UHFFFAOYSA-N -1 2 374.762 0.604 20 0 FCADLM COC(=O)c1cccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)c1C ZINC000831457687 600987188 /nfs/dbraw/zinc/98/71/88/600987188.db2.gz RTLNTTCQSSURAU-UHFFFAOYSA-N -1 2 354.344 0.259 20 0 FCADLM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000826039480 601163855 /nfs/dbraw/zinc/16/38/55/601163855.db2.gz UEPBIVOZZMIGHC-YGRLFVJLSA-N -1 2 355.354 0.649 20 0 FCADLM C[C@H](C(=O)[O-])[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000826039477 601163886 /nfs/dbraw/zinc/16/38/86/601163886.db2.gz UEPBIVOZZMIGHC-HZMBPMFUSA-N -1 2 355.354 0.649 20 0 FCADLM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000826039478 601164051 /nfs/dbraw/zinc/16/40/51/601164051.db2.gz UEPBIVOZZMIGHC-IINYFYTJSA-N -1 2 355.354 0.649 20 0 FCADLM NC(=O)Cn1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000324867757 601322956 /nfs/dbraw/zinc/32/29/56/601322956.db2.gz PCCJMHAPKKFUJA-ZZXKWVIFSA-N -1 2 350.356 0.267 20 0 FCADLM COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000831192194 601361648 /nfs/dbraw/zinc/36/16/48/601361648.db2.gz FJAUAEGZROESEV-UHFFFAOYSA-N -1 2 368.371 0.567 20 0 FCADLM Cn1cc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1C(N)=O ZINC000325442680 601771100 /nfs/dbraw/zinc/77/11/00/601771100.db2.gz NMKGSXKBWQRHIL-UHFFFAOYSA-N -1 2 372.428 0.789 20 0 FCADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000833361356 601832982 /nfs/dbraw/zinc/83/29/82/601832982.db2.gz UTKNRHGCJUKKFH-UHFFFAOYSA-N -1 2 355.353 0.973 20 0 FCADLM COC(=O)Cn1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000831192117 601859767 /nfs/dbraw/zinc/85/97/67/601859767.db2.gz AXSWIAXWXDDEPW-UHFFFAOYSA-N -1 2 357.319 0.694 20 0 FCADLM Cn1cc(NS(=O)(=O)c2ccsc2C(=O)OCCNC(=O)[O-])cn1 ZINC000739038027 602214974 /nfs/dbraw/zinc/21/49/74/602214974.db2.gz YJIBMNLXJSFPEP-UHFFFAOYSA-N -1 2 374.400 0.707 20 0 FCADLM 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O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582309190 1281308708 /nfs/dbraw/zinc/30/87/08/1281308708.db2.gz ZKJSDGUIQQWRNR-CYBMUJFWSA-N -1 2 372.385 0.082 20 0 FCADLM C[C@H](c1cnccn1)[N@@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001590053302 1283186796 /nfs/dbraw/zinc/18/67/96/1283186796.db2.gz JRVKMMWYCASLKJ-GFCCVEGCSA-N -1 2 367.417 0.894 20 0 FCADLM C[C@H](c1cnccn1)[N@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001590053302 1283186801 /nfs/dbraw/zinc/18/68/01/1283186801.db2.gz JRVKMMWYCASLKJ-GFCCVEGCSA-N -1 2 367.417 0.894 20 0 FCADLM CCn1cc(C[N@H+](C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cn1 ZINC001590953431 1284002111 /nfs/dbraw/zinc/00/21/11/1284002111.db2.gz QDHURAXFTHGPTF-UHFFFAOYSA-N -1 2 354.378 0.463 20 0 FCADLM CCn1cc(C[N@@H+](C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cn1 ZINC001590953431 1284002121 /nfs/dbraw/zinc/00/21/21/1284002121.db2.gz QDHURAXFTHGPTF-UHFFFAOYSA-N -1 2 354.378 0.463 20 0 FCADLM 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373.412 0.806 20 0 FCADLM CS(=O)(=O)CCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000103139433 208173387 /nfs/dbraw/zinc/17/33/87/208173387.db2.gz YMKUXBUOBMLYDT-UHFFFAOYSA-N -1 2 366.530 0.926 20 0 FCADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000266758228 210397925 /nfs/dbraw/zinc/39/79/25/210397925.db2.gz FRHPJZAKZQSRJZ-UHFFFAOYSA-N -1 2 368.371 0.562 20 0 FCADLM Cc1cc(=NC(=O)[C@@H]2C(C)[C@H]2C(=O)N=c2cc(C)c(C)n[nH]2)[n-]nc1C ZINC000410491684 230102158 /nfs/dbraw/zinc/10/21/58/230102158.db2.gz VUKBWOINCOLASH-HZPDHXFCSA-N -1 2 354.414 0.803 20 0 FCADLM NC(=O)Cn1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000324874785 488907707 /nfs/dbraw/zinc/90/77/07/488907707.db2.gz QGLRRJZJWGICKU-UHFFFAOYSA-N -1 2 352.372 0.186 20 0 FCADLM C[C@@H](CN(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1nn[nH]n1 ZINC000274803593 488735016 /nfs/dbraw/zinc/73/50/16/488735016.db2.gz SZEQIXYAONNKEF-JTQLQIEISA-N -1 2 373.442 0.851 20 0 FCADLM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000275020841 488753764 /nfs/dbraw/zinc/75/37/64/488753764.db2.gz RPVPCYOLAAMYPX-ZETCQYMHSA-N -1 2 356.360 0.358 20 0 FCADLM C[C@@H](CN(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1nn[nH]n1 ZINC000282335215 489155311 /nfs/dbraw/zinc/15/53/11/489155311.db2.gz OKWKMGWQXLYOKW-VIFPVBQESA-N -1 2 359.415 0.460 20 0 FCADLM COc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C(N)=O ZINC000474396466 489760024 /nfs/dbraw/zinc/76/00/24/489760024.db2.gz XQNSOFIWKFPQQV-UHFFFAOYSA-N -1 2 355.328 0.590 20 0 FCADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000430979430 489782917 /nfs/dbraw/zinc/78/29/17/489782917.db2.gz OYUYPGCRKJCIFB-UHFFFAOYSA-N -1 2 363.355 0.883 20 0 FCADLM COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cn1 ZINC000462380187 489972306 /nfs/dbraw/zinc/97/23/06/489972306.db2.gz JYUKPGZGRXUZEL-UHFFFAOYSA-N -1 2 357.319 0.694 20 0 FCADLM NC(=O)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000509389074 490421393 /nfs/dbraw/zinc/42/13/93/490421393.db2.gz CGVKINVOTYMDAZ-UHFFFAOYSA-N -1 2 369.380 0.671 20 0 FCADLM COC(=O)c1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])ccc1O ZINC000539842424 490797565 /nfs/dbraw/zinc/79/75/65/490797565.db2.gz ZGUBSLMHUSUEAU-UHFFFAOYSA-N -1 2 355.328 0.411 20 0 FCADLM O=C([O-])[C@@H](CC1CCC1)NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000530367475 490901277 /nfs/dbraw/zinc/90/12/77/490901277.db2.gz TYPGITJWDUZQMF-SNVBAGLBSA-N -1 2 368.371 0.358 20 0 FCADLM Cc1c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)cnn1C ZINC000581167910 491761930 /nfs/dbraw/zinc/76/19/30/491761930.db2.gz QMEQAZGSMXUOLX-UHFFFAOYSA-N -1 2 353.356 0.999 20 0 FCADLM Cn1nccc1S(=O)(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000589428028 491761947 /nfs/dbraw/zinc/76/19/47/491761947.db2.gz BLGVCRQQAZTWSH-UHFFFAOYSA-N -1 2 352.372 0.425 20 0 FCADLM O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(-c2ccco2)[nH]n1 ZINC000596171868 491978506 /nfs/dbraw/zinc/97/85/06/491978506.db2.gz NJRRRMQSQJREKN-UHFFFAOYSA-N -1 2 356.386 1.451 20 0 FCADLM COC(=O)c1sc2[nH]c(CN3CC[N@H+](C)C[C@@H]3CO)nc(=O)c2c1C ZINC000602905855 492004557 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FCADLM O=C([O-])CC[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000739662514 600153603 /nfs/dbraw/zinc/15/36/03/600153603.db2.gz MLBHHKDOCORFIR-ZDUSSCGKSA-N -1 2 355.354 0.794 20 0 FCADLM Cc1[nH]c(C(=O)COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(C)c1C(=O)[O-] ZINC000738153779 600175814 /nfs/dbraw/zinc/17/58/14/600175814.db2.gz BMGWLOYPHRGWTD-UHFFFAOYSA-N -1 2 373.325 0.140 20 0 FCADLM O=C([O-])Cn1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cn1 ZINC000739911520 600530391 /nfs/dbraw/zinc/53/03/91/600530391.db2.gz AVZXTOGVEAYJSJ-UHFFFAOYSA-N -1 2 367.387 0.333 20 0 FCADLM COc1ccc(S(=O)(=O)Nc2ncc(C(N)=O)s2)cc1C(=O)[O-] ZINC000738069899 600659524 /nfs/dbraw/zinc/65/95/24/600659524.db2.gz NYDDOSOIPHQKMW-UHFFFAOYSA-N -1 2 357.369 0.750 20 0 FCADLM COCCOc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1F ZINC000831779154 600678606 /nfs/dbraw/zinc/67/86/06/600678606.db2.gz COAQVURDYOTSFX-UHFFFAOYSA-N -1 2 373.362 0.933 20 0 FCADLM Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832904845 600682909 /nfs/dbraw/zinc/68/29/09/600682909.db2.gz CHPFQARMLFEYNL-UHFFFAOYSA-N -1 2 373.412 0.480 20 0 FCADLM Cn1cc(S(=O)(=O)Nc2cccnc2N2CCOCC2)cc1C(=O)[O-] ZINC000833055173 600828153 /nfs/dbraw/zinc/82/81/53/600828153.db2.gz ATGIPIPCIWYLCN-UHFFFAOYSA-N -1 2 366.399 0.756 20 0 FCADLM COc1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1NC(C)=O ZINC000832468951 600987102 /nfs/dbraw/zinc/98/71/02/600987102.db2.gz VWPUACRLDKTUGG-UHFFFAOYSA-N -1 2 369.359 0.131 20 0 FCADLM COC(=O)c1cc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)ccc1F ZINC000831353634 601326003 /nfs/dbraw/zinc/32/60/03/601326003.db2.gz LIGWWKSNEMVUJP-UHFFFAOYSA-N -1 2 357.319 0.694 20 0 FCADLM CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000830557231 601360997 /nfs/dbraw/zinc/36/09/97/601360997.db2.gz RFSKTYQVAFNPES-UHFFFAOYSA-N -1 2 371.350 0.004 20 0 FCADLM NC(=O)CCNc1ccccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833082549 601485240 /nfs/dbraw/zinc/48/52/40/601485240.db2.gz UTBDXTPEXMWLTI-UHFFFAOYSA-N -1 2 370.412 0.929 20 0 FCADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000833345837 601831477 /nfs/dbraw/zinc/83/14/77/601831477.db2.gz ZOJOHDDBKIZDFM-UHFFFAOYSA-N -1 2 352.357 0.618 20 0 FCADLM CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncn(CC(=O)[O-])n3)cc21 ZINC000828045801 602100833 /nfs/dbraw/zinc/10/08/33/602100833.db2.gz AXMZSTGVTCQZNK-UHFFFAOYSA-N -1 2 365.371 0.393 20 0 FCADLM COC(=O)c1cc(S(=O)(=O)Nc2nnc(CCC(=O)[O-])s2)c[nH]1 ZINC000831353979 602102799 /nfs/dbraw/zinc/10/27/99/602102799.db2.gz QTXMGICYZDULEL-UHFFFAOYSA-N -1 2 360.373 0.471 20 0 FCADLM Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])oc2Br)no1 ZINC000231788509 602159082 /nfs/dbraw/zinc/15/90/82/602159082.db2.gz PXIMSVZNWLBICV-UHFFFAOYSA-N -1 2 366.149 0.910 20 0 FCADLM O=S(=O)([N-]c1cc(-c2ccncc2)n[nH]1)c1ccc(-c2nn[nH]n2)nc1 ZINC000826492614 607844327 /nfs/dbraw/zinc/84/43/27/607844327.db2.gz USYLWCJTSPPXMD-UHFFFAOYSA-N -1 2 369.370 0.848 20 0 FCADLM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnsn1 ZINC000851701812 671460986 /nfs/dbraw/zinc/46/09/86/671460986.db2.gz IYJJGZMEBVBUPN-FSPLSTOPSA-N -1 2 352.294 0.274 20 0 FCADLM O=C(N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001083388368 1187717261 /nfs/dbraw/zinc/71/72/61/1187717261.db2.gz RRCZRWFAIVLQEM-KGLIPLIRSA-N -1 2 371.397 0.135 20 0 FCADLM COCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001198820734 1208295554 /nfs/dbraw/zinc/29/55/54/1208295554.db2.gz USLKTTGWAYJBIE-NILFDRSVSA-N -1 2 364.446 0.394 20 0 FCADLM Cn1cc(N2C[C@]3(COCC[N@@H+](Cc4ncccc4O)C3)OCC2=O)cn1 ZINC001138393487 1222504764 /nfs/dbraw/zinc/50/47/64/1222504764.db2.gz OTFLMKQIOQKTHW-GOSISDBHSA-N -1 2 373.413 0.155 20 0 FCADLM CN(C(=O)c1cnc[nH]c1=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000939753391 1246148349 /nfs/dbraw/zinc/14/83/49/1246148349.db2.gz CRFWJNNVXGYDQI-YNEHKIRRSA-N -1 2 370.413 0.392 20 0 FCADLM C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CCCn1cc[nH+]c1 ZINC001580297859 1278104446 /nfs/dbraw/zinc/10/44/46/1278104446.db2.gz SNSJGKZXAAUKBB-NSHDSACASA-N -1 2 373.396 0.994 20 0 FCADLM CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574210878 1271099987 /nfs/dbraw/zinc/09/99/87/1271099987.db2.gz WJKITRCOHADBFU-DGCLKSJQSA-N -1 2 374.449 0.160 20 0 FCADLM CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574210878 1271099992 /nfs/dbraw/zinc/09/99/92/1271099992.db2.gz WJKITRCOHADBFU-DGCLKSJQSA-N -1 2 374.449 0.160 20 0 FCADLM CCCCc1noc(C[NH2+]C[C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001577520177 1274466519 /nfs/dbraw/zinc/46/65/19/1274466519.db2.gz MNXJXMQLZYUMQE-SNVBAGLBSA-N -1 2 373.421 0.829 20 0 FCADLM CCC[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1cnns1 ZINC001577625993 1274606812 /nfs/dbraw/zinc/60/68/12/1274606812.db2.gz JVXVGJGWAGUCTD-UHFFFAOYSA-N -1 2 361.435 0.688 20 0 FCADLM CCC[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1cnns1 ZINC001577625993 1274606818 /nfs/dbraw/zinc/60/68/18/1274606818.db2.gz JVXVGJGWAGUCTD-UHFFFAOYSA-N -1 2 361.435 0.688 20 0 FCADLM CN(C(=O)Cc1cncn1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578885536 1276415388 /nfs/dbraw/zinc/41/53/88/1276415388.db2.gz ACDUTDXTAARFLO-UHFFFAOYSA-N -1 2 366.429 0.486 20 0 FCADLM CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001578884129 1276415930 /nfs/dbraw/zinc/41/59/30/1276415930.db2.gz YDSZWZRFAZWMMT-UHFFFAOYSA-N -1 2 368.405 0.050 20 0 FCADLM C[N@H+](Cc1ccon1)C[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579260540 1277055312 /nfs/dbraw/zinc/05/53/12/1277055312.db2.gz AIINRQSTZWEQRR-CYBMUJFWSA-N -1 2 356.390 0.919 20 0 FCADLM COC(=O)C1([N@H+](C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCC1 ZINC001579438761 1277315753 /nfs/dbraw/zinc/31/57/53/1277315753.db2.gz PSQOOIFEHXMPPZ-UHFFFAOYSA-N -1 2 372.389 0.533 20 0 FCADLM COC(=O)C1([N@@H+](C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCC1 ZINC001579438761 1277315764 /nfs/dbraw/zinc/31/57/64/1277315764.db2.gz PSQOOIFEHXMPPZ-UHFFFAOYSA-N -1 2 372.389 0.533 20 0 FCADLM COC(=O)C[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCCC1 ZINC001579449116 1277340517 /nfs/dbraw/zinc/34/05/17/1277340517.db2.gz JOSIAYWHEIRARX-UHFFFAOYSA-N -1 2 372.389 0.533 20 0 FCADLM COC(=O)C[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCCC1 ZINC001579449116 1277340523 /nfs/dbraw/zinc/34/05/23/1277340523.db2.gz JOSIAYWHEIRARX-UHFFFAOYSA-N -1 2 372.389 0.533 20 0 FCADLM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1)c1ccccc1 ZINC001579465718 1277360439 /nfs/dbraw/zinc/36/04/39/1277360439.db2.gz LJESUHQDDJCWGR-LBPRGKRZSA-N -1 2 363.355 0.652 20 0 FCADLM Cc1nonc1C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001581646383 1280337099 /nfs/dbraw/zinc/33/70/99/1280337099.db2.gz FWMUPJOTVCZWJE-UHFFFAOYSA-N -1 2 374.380 0.901 20 0 FCADLM O=C(CCn1cc[nH+]c1)NC[C@@H](Nc1ccc(-c2nn[nH]n2)nn1)C1CC1 ZINC001582088875 1281041750 /nfs/dbraw/zinc/04/17/50/1281041750.db2.gz MSWAQKHVZIKTSI-CYBMUJFWSA-N -1 2 368.405 0.250 20 0 FCADLM O=C(CCn1cc[nH+]c1)NC[C@H](Nc1ccc(-c2nn[nH]n2)nn1)C1CC1 ZINC001582088876 1281042023 /nfs/dbraw/zinc/04/20/23/1281042023.db2.gz MSWAQKHVZIKTSI-ZDUSSCGKSA-N -1 2 368.405 0.250 20 0 FCADLM O=C(CCn1cc[nH+]c1)N[C@H](CNc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001582088900 1281043030 /nfs/dbraw/zinc/04/30/30/1281043030.db2.gz NMMIBGKGROPSGK-GFCCVEGCSA-N -1 2 368.405 0.250 20 0 FCADLM O=C(CCn1cc[nH+]c1)NCC1(Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001582088970 1281043112 /nfs/dbraw/zinc/04/31/12/1281043112.db2.gz PGZRBOPGMNKQPI-UHFFFAOYSA-N -1 2 354.378 0.004 20 0 FCADLM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCOC[C@H]1c1nn[nH]n1 ZINC001635091335 1282379187 /nfs/dbraw/zinc/37/91/87/1282379187.db2.gz XAONUTJVBNCQAO-NSHDSACASA-N -1 2 359.321 0.444 20 0 FCADLM CN(C(=O)Nc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001604643080 1287707731 /nfs/dbraw/zinc/70/77/31/1287707731.db2.gz KUMPPPZMSVCKHT-KGLIPLIRSA-N -1 2 361.381 0.943 20 0 FCADLM CN(C(=O)Nc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001604643080 1287707738 /nfs/dbraw/zinc/70/77/38/1287707738.db2.gz 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Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001600013083 1286424142 /nfs/dbraw/zinc/42/41/42/1286424142.db2.gz NWFFKQXUCPHZRY-QHCPKHFHSA-N -1 2 371.440 0.955 20 0 FCADLM Cc1c(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)coc1C(=O)N(C)C ZINC001600058120 1286434074 /nfs/dbraw/zinc/43/40/74/1286434074.db2.gz WJMJRHFIDCQCSM-UHFFFAOYSA-N -1 2 356.360 0.372 20 0 FCADLM Cn1c[nH+]cc1[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C[C@@H]1C(=O)[O-] ZINC001600996411 1286593654 /nfs/dbraw/zinc/59/36/54/1286593654.db2.gz UNYSKFPTEFSTLF-QWRGUYRKSA-N -1 2 371.415 0.105 20 0 FCADLM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001601871846 1286860107 /nfs/dbraw/zinc/86/01/07/1286860107.db2.gz LGBCKCKPPAERHG-AWEZNQCLSA-N -1 2 369.337 0.118 20 0 FCADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)cn1 ZINC001602164968 1286955472 /nfs/dbraw/zinc/95/54/72/1286955472.db2.gz XBQSROYSTVDDME-UHFFFAOYSA-N -1 2 355.357 0.880 20 0 FCADLM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001602190810 1286962075 /nfs/dbraw/zinc/96/20/75/1286962075.db2.gz JLCZAPNQBOQMBD-SVRRBLITSA-N -1 2 350.249 0.118 20 0 FCADLM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1 ZINC001606042138 1288144026 /nfs/dbraw/zinc/14/40/26/1288144026.db2.gz AAFNXYBTKRMGLT-UHFFFAOYSA-N -1 2 368.371 0.327 20 0 FCADLM Cn1ncc(-c2nn[nH]n2)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC001609482265 1289176502 /nfs/dbraw/zinc/17/65/02/1289176502.db2.gz RAGQJIIXPZYMIN-UHFFFAOYSA-N -1 2 373.398 0.920 20 0 FCADLM COc1ccc(S(=O)(=O)Nc2cc(N(C)C)ncn2)c(CC(=O)[O-])c1 ZINC001607289645 1288695854 /nfs/dbraw/zinc/69/58/54/1288695854.db2.gz DNHTXMLFAHXZCV-UHFFFAOYSA-N -1 2 366.399 0.979 20 0 FCADLM CNC(=O)c1cc(S(=O)(=O)Nc2c(C)ccc(C(=O)[O-])c2O)cn1C ZINC001610141287 1289394217 /nfs/dbraw/zinc/39/42/17/1289394217.db2.gz LFRJBFINAFREOA-UHFFFAOYSA-N -1 2 367.383 0.898 20 0 FCADLM Cc1c(NS(=O)(=O)c2csnc2C(=O)[O-])cccc1-n1cnnn1 ZINC001610427133 1289485961 /nfs/dbraw/zinc/48/59/61/1289485961.db2.gz OHBBPDHFLXAAAL-UHFFFAOYSA-N -1 2 366.384 0.926 20 0 FCADLM O=C([O-])Cn1cnc(NS(=O)(=O)c2cnccc2C(F)(F)F)n1 ZINC001610800727 1289597441 /nfs/dbraw/zinc/59/74/41/1289597441.db2.gz BSXAIIPUZATFJN-UHFFFAOYSA-N -1 2 351.266 0.577 20 0 FCADLM O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC001610815814 1289599177 /nfs/dbraw/zinc/59/91/77/1289599177.db2.gz VCKWDAWHTLVEOQ-UHFFFAOYSA-N -1 2 370.362 0.916 20 0 FCADLM COCc1[nH]nc2c1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C2 ZINC001148916721 849620795 /nfs/dbraw/zinc/62/07/95/849620795.db2.gz DCKPYVFMXOVWQZ-UHFFFAOYSA-N -1 2 353.356 0.664 20 0 FCADLM Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(N)=O ZINC001187545039 851576732 /nfs/dbraw/zinc/57/67/32/851576732.db2.gz AJJULQHIYTZIMX-UHFFFAOYSA-N -1 2 358.763 0.671 20 0 FCADLM O=C([O-])c1cc(C(=O)N2CCc3[nH+]ccn3CC2)cc(S(=O)(=O)[O-])c1 ZINC001189925176 851844780 /nfs/dbraw/zinc/84/47/80/851844780.db2.gz ZITIHBHICVRWLP-UHFFFAOYSA-N -1 2 365.367 0.527 20 0 FCADLM COC(=O)c1nn(C)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686550 852277446 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CCOc1ccccc1NC(=C(F)C(=O)[O-])c1c(O)[nH]c(=S)[nH]c1=O ZINC001597179323 987033942 /nfs/dbraw/zinc/03/39/42/987033942.db2.gz JRISETZMACPUEY-SNVBAGLBSA-N -1 2 367.358 0.705 20 0 FCADLM COc1ccccc1C[C@H](CNC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-] ZINC001599707807 991320228 /nfs/dbraw/zinc/32/02/28/991320228.db2.gz ZSARAYFJJVYFMN-ZYHUDNBSSA-N -1 2 365.411 0.611 20 0 FCADLM COC(=O)[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598713421 995375218 /nfs/dbraw/zinc/37/52/18/995375218.db2.gz MZKAFFLXDTYARP-GFCCVEGCSA-N -1 2 371.346 0.450 20 0 FCADLM COc1ccc([C@@H](NC(=O)C[C@@H]2SC(=N)NC2=O)C(=O)[O-])c(OC)c1 ZINC001599520219 997466230 /nfs/dbraw/zinc/46/62/30/997466230.db2.gz QVZYWKHHKVNAAW-CMPLNLGQSA-N -1 2 367.383 0.502 20 0 FCADLM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001599542254 997863240 /nfs/dbraw/zinc/86/32/40/997863240.db2.gz ICWKCYUDWLNOLQ-HYXAFXHYSA-N -1 2 370.321 0.783 20 0 FCADLM COCCOc1ccnc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001599261392 998391404 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CZLUDFHFVCQJGX-LBPRGKRZSA-N -1 2 355.460 0.809 20 0 FCADLM Cc1cc(NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)nn1C ZINC000439041875 248107379 /nfs/dbraw/zinc/10/73/79/248107379.db2.gz JAXZZPIFHVTLLF-UHFFFAOYSA-N -1 2 353.356 0.999 20 0 FCADLM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000271061190 211325136 /nfs/dbraw/zinc/32/51/36/211325136.db2.gz KOSPDPSBCAIUSK-ZETCQYMHSA-N -1 2 356.360 0.310 20 0 FCADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(N)=O)c1 ZINC000042793315 487878934 /nfs/dbraw/zinc/87/89/34/487878934.db2.gz NEMUOGTVXJMUDQ-UHFFFAOYSA-N -1 2 352.372 0.430 20 0 FCADLM Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)sc1C(=O)[O-] ZINC000066585113 488332194 /nfs/dbraw/zinc/33/21/94/488332194.db2.gz HLTTXMBEUXIWAT-UHFFFAOYSA-N -1 2 372.428 0.840 20 0 FCADLM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cnn(CCO)c3)c1)CCC2 ZINC000067659892 488354677 /nfs/dbraw/zinc/35/46/77/488354677.db2.gz AOGVBQHFNLDYSY-UHFFFAOYSA-N -1 2 351.384 0.863 20 0 FCADLM CCOc1ccc(S(=O)(=O)Nc2ccn(CC(N)=O)n2)cc1C(=O)[O-] ZINC000068076159 488360081 /nfs/dbraw/zinc/36/00/81/488360081.db2.gz XUZGUCYFUSGVSK-UHFFFAOYSA-N -1 2 368.371 0.266 20 0 FCADLM Cc1cc(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)cc(C(=O)[O-])c1C ZINC000268359325 488411041 /nfs/dbraw/zinc/41/10/41/488411041.db2.gz ONYZLJCAJDITJP-UHFFFAOYSA-N -1 2 366.399 0.874 20 0 FCADLM CCOC1CC(CNC(=O)c2cccc3n[nH]nc32)([NH+]2CCOCC2)C1 ZINC000193021997 488425055 /nfs/dbraw/zinc/42/50/55/488425055.db2.gz OEHHKKWOIAHPMQ-UHFFFAOYSA-N -1 2 359.430 0.958 20 0 FCADLM Cc1c(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)cnn1C ZINC000427137210 489596119 /nfs/dbraw/zinc/59/61/19/489596119.db2.gz RFAQBXKZKTYSFS-UHFFFAOYSA-N -1 2 366.399 0.734 20 0 FCADLM C[C@H](C(=O)[O-])N(C)C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000427974650 489631369 /nfs/dbraw/zinc/63/13/69/489631369.db2.gz FZLYQXHRTVDCRG-MRVPVSSYSA-N -1 2 372.428 0.828 20 0 FCADLM Cn1cc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1C(=O)[O-] ZINC000378015321 489996333 /nfs/dbraw/zinc/99/63/33/489996333.db2.gz FRPLXHHDLOLWFH-UHFFFAOYSA-N -1 2 351.340 0.855 20 0 FCADLM CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)[nH]n1 ZINC000545889197 490163366 /nfs/dbraw/zinc/16/33/66/490163366.db2.gz ZPKYJLSDCVCRLQ-UHFFFAOYSA-N -1 2 356.360 0.907 20 0 FCADLM CCn1cncc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1-n1cnnc1 ZINC000547590161 490325185 /nfs/dbraw/zinc/32/51/85/490325185.db2.gz JFCPBDYSNVLNMH-UHFFFAOYSA-N -1 2 362.371 0.983 20 0 FCADLM COC(=O)Cn1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cn1 ZINC000484525725 490436912 /nfs/dbraw/zinc/43/69/12/490436912.db2.gz YZTZYACUFHUVCY-UHFFFAOYSA-N -1 2 353.356 0.864 20 0 FCADLM O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1 ZINC000548211972 490441209 /nfs/dbraw/zinc/44/12/09/490441209.db2.gz PLDPAEASHINOFO-UHFFFAOYSA-N -1 2 362.323 0.935 20 0 FCADLM CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000564855615 491331372 /nfs/dbraw/zinc/33/13/72/491331372.db2.gz GTWLVZKPVFSKTI-XVKPBYJWSA-N -1 2 370.387 0.460 20 0 FCADLM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000548540766 490501995 /nfs/dbraw/zinc/50/19/95/490501995.db2.gz DOFPLHDWYHRSKX-ZETCQYMHSA-N -1 2 356.360 0.308 20 0 FCADLM CCn1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)nc1C ZINC000502417476 490704370 /nfs/dbraw/zinc/70/43/70/490704370.db2.gz GKHLHIQZCFMOEP-UHFFFAOYSA-N -1 2 365.459 0.922 20 0 FCADLM Cc1nn2cc(S(=O)(=O)Nc3cnn(C)c3C(=O)[O-])cnc2c1Cl ZINC000539192558 490767667 /nfs/dbraw/zinc/76/76/67/490767667.db2.gz CMUFCNXPKSLPCX-UHFFFAOYSA-N -1 2 370.778 0.924 20 0 FCADLM CNC(=O)Cn1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000504285724 490794086 /nfs/dbraw/zinc/79/40/86/490794086.db2.gz DVEDQRFHFHUKIU-UHFFFAOYSA-N -1 2 352.372 0.437 20 0 FCADLM CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)[nH]n1 ZINC000542836707 490911714 /nfs/dbraw/zinc/91/17/14/490911714.db2.gz QHFDQONDAWXBNA-UHFFFAOYSA-N -1 2 369.355 0.851 20 0 FCADLM C[C@H](Cn1cc[nH+]c1)Nc1cc(=N[C@@H](C)Cn2cc[nH+]c2)nc2nc[nH]n21 ZINC000576440130 491614605 /nfs/dbraw/zinc/61/46/05/491614605.db2.gz YEAWCZPKQLBZEV-UONOGXRCSA-N -1 2 366.433 0.940 20 0 FCADLM O=c1[n-]nnn1-c1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000584008907 491856518 /nfs/dbraw/zinc/85/65/18/491856518.db2.gz NYOAXIOLPSSSFA-UHFFFAOYSA-N -1 2 371.329 0.630 20 0 FCADLM O=C(COCC(=O)N=c1ccc(C2CC2)n[nH]1)N=c1ccc(C2CC2)n[n-]1 ZINC000604707638 492068724 /nfs/dbraw/zinc/06/87/24/492068724.db2.gz ADWIFUJWNHGFBH-UHFFFAOYSA-N -1 2 368.397 0.459 20 0 FCADLM CCOC(=O)c1nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c[nH]1 ZINC000619446088 492263671 /nfs/dbraw/zinc/26/36/71/492263671.db2.gz OMFVMOYANRBLBH-UHFFFAOYSA-N -1 2 358.314 0.897 20 0 FCADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2cnn(CCO)c2)cc1F ZINC000625080809 492721060 /nfs/dbraw/zinc/72/10/60/492721060.db2.gz UROAQHMINMPKLY-UHFFFAOYSA-N -1 2 359.335 0.279 20 0 FCADLM C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000625421151 492778729 /nfs/dbraw/zinc/77/87/29/492778729.db2.gz JSXBGJVYWMGXMI-SNVBAGLBSA-N -1 2 367.431 0.446 20 0 FCADLM C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000626583035 492998411 /nfs/dbraw/zinc/99/84/11/492998411.db2.gz RUVKRIBTSRBVLH-GFCCVEGCSA-N -1 2 370.475 0.370 20 0 FCADLM O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2cnn(CCO)c2)cc1 ZINC000674335582 493408674 /nfs/dbraw/zinc/40/86/74/493408674.db2.gz NXICZPSRSZUXLC-UHFFFAOYSA-N -1 2 367.383 0.724 20 0 FCADLM O=C([O-])[C@@H]1N(S(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CC12CCC2 ZINC000663287222 493582108 /nfs/dbraw/zinc/58/21/08/493582108.db2.gz HAQLARFNAINEGR-VIFPVBQESA-N -1 2 366.355 0.064 20 0 FCADLM CC(=O)NCCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1 ZINC000678716976 493657539 /nfs/dbraw/zinc/65/75/39/493657539.db2.gz VNUVAQBMYAEIRV-UHFFFAOYSA-N -1 2 366.399 0.598 20 0 FCADLM CCOC(=O)Cn1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000594463032 546794754 /nfs/dbraw/zinc/79/47/54/546794754.db2.gz VHHJTLNCMTXSKW-UHFFFAOYSA-N -1 2 367.383 0.874 20 0 FCADLM O=C([O-])[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1cc(F)ccc1F ZINC000739355890 600152780 /nfs/dbraw/zinc/15/27/80/600152780.db2.gz RUSWXLCMAGWKDQ-GFCCVEGCSA-N -1 2 363.280 0.292 20 0 FCADLM CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000737228523 600530953 /nfs/dbraw/zinc/53/09/53/600530953.db2.gz BFPQTODQPLIXSL-UHFFFAOYSA-N -1 2 373.412 0.562 20 0 FCADLM CCNC(=O)c1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000324887575 600671876 /nfs/dbraw/zinc/67/18/76/600671876.db2.gz SICPLBYWFVOYIV-UHFFFAOYSA-N -1 2 352.372 0.518 20 0 FCADLM CS(=O)(=O)c1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000319968036 600673547 /nfs/dbraw/zinc/67/35/47/600673547.db2.gz DOQPUBAAQBZXFC-UHFFFAOYSA-N -1 2 359.385 0.172 20 0 FCADLM Cn1c(=O)oc2ccc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc21 ZINC000833039522 600680860 /nfs/dbraw/zinc/68/08/60/600680860.db2.gz YLLGLUSDNKSVJI-UHFFFAOYSA-N -1 2 352.328 0.213 20 0 FCADLM COC(=O)Cc1csc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000831192523 600827883 /nfs/dbraw/zinc/82/78/83/600827883.db2.gz MIPGAAXAGVLZSP-UHFFFAOYSA-N -1 2 359.385 0.696 20 0 FCADLM N=C1NC(=O)[C@@H](CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])S1 ZINC000833089379 600879121 /nfs/dbraw/zinc/87/91/21/600879121.db2.gz OUZOMJVCAZIDNV-MWLCHTKSSA-N -1 2 353.375 0.742 20 0 FCADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2N2CCOCC2)c[nH]1 ZINC000833306346 600979879 /nfs/dbraw/zinc/97/98/79/600979879.db2.gz VECYLXJWFYFSNI-UHFFFAOYSA-N -1 2 352.372 0.745 20 0 FCADLM NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000833089643 600982988 /nfs/dbraw/zinc/98/29/88/600982988.db2.gz ZEYUTNYZEAKRPN-UHFFFAOYSA-N -1 2 357.369 0.228 20 0 FCADLM COC(=O)Cn1cnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000831192754 600987009 /nfs/dbraw/zinc/98/70/09/600987009.db2.gz SUBVFHPIYYFDEJ-UHFFFAOYSA-N -1 2 374.762 0.604 20 0 FCADLM COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000831192593 600987076 /nfs/dbraw/zinc/98/70/76/600987076.db2.gz PRPXNTHBZBDQSG-UHFFFAOYSA-N -1 2 354.344 0.259 20 0 FCADLM COC(=O)C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C(=O)[O-] ZINC000831134588 601757631 /nfs/dbraw/zinc/75/76/31/601757631.db2.gz RKTPSKSAKJPHKW-SNVBAGLBSA-N -1 2 351.290 0.463 20 0 FCADLM O=C([O-])CSc1ccc(OC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1 ZINC000833264392 601872667 /nfs/dbraw/zinc/87/26/67/601872667.db2.gz QCZVPPDCZKAERD-UHFFFAOYSA-N -1 2 360.351 0.854 20 0 FCADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000833347296 602158473 /nfs/dbraw/zinc/15/84/73/602158473.db2.gz XLOOVCIEICFCPL-UHFFFAOYSA-N -1 2 374.421 0.972 20 0 FCADLM COC(=O)c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1F ZINC000831434760 602321241 /nfs/dbraw/zinc/32/12/41/602321241.db2.gz BILGEFHYSACGAO-UHFFFAOYSA-N -1 2 357.319 0.694 20 0 FCADLM O=C([O-])CCCN(Cc1ccccc1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000833226569 604352551 /nfs/dbraw/zinc/35/25/51/604352551.db2.gz HJWZTJMLRUAMPB-UHFFFAOYSA-N -1 2 369.381 0.965 20 0 FCADLM Cn1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C(N)=O ZINC000833056201 604625575 /nfs/dbraw/zinc/62/55/75/604625575.db2.gz YYEJOTPZFDIRIF-UHFFFAOYSA-N -1 2 358.401 0.399 20 0 FCADLM COc1c(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cccc1C(N)=O ZINC000833726587 605169715 /nfs/dbraw/zinc/16/97/15/605169715.db2.gz DLTLDLFPCRXENH-UHFFFAOYSA-N -1 2 351.340 0.688 20 0 FCADLM CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000868235736 672390108 /nfs/dbraw/zinc/39/01/08/672390108.db2.gz GAHHYCNNIHXNSD-FZMZJTMJSA-N -1 2 365.400 0.085 20 0 FCADLM Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)CC4CC(F)(F)C4)C[C@@H]3C2)nc1=O ZINC001088017477 1190225358 /nfs/dbraw/zinc/22/53/58/1190225358.db2.gz CMEQDKGCNDYRFW-OLZOCXBDSA-N -1 2 369.416 0.824 20 0 FCADLM CN1C[C@@]2(CC1=O)COCCN(C(=O)c1c[nH]c3cccnc3c1=O)C2 ZINC001271971344 1190790962 /nfs/dbraw/zinc/79/09/62/1190790962.db2.gz UEUUFMSZXPUOAU-GOSISDBHSA-N -1 2 356.382 0.244 20 0 FCADLM O=C([N-]Cc1ncccn1)C(F)(F)C(F)(F)C(=O)NCc1ncccn1 ZINC000770042104 1200395611 /nfs/dbraw/zinc/39/56/11/1200395611.db2.gz HYYULTCSYLQIJJ-UHFFFAOYSA-N -1 2 372.282 0.470 20 0 FCADLM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)n1 ZINC001170376356 1201209581 /nfs/dbraw/zinc/20/95/81/1201209581.db2.gz YWRZSQSONAQVBC-GFCCVEGCSA-N -1 2 373.348 0.752 20 0 FCADLM CC(=O)N1CCOC[C@@]2(C[N@@H+](Cc3c(CO)cnc(C)c3O)CCO2)C1 ZINC001140866430 1222618927 /nfs/dbraw/zinc/61/89/27/1222618927.db2.gz PHMYAZLUUKQKOS-GOSISDBHSA-N -1 2 365.430 0.038 20 0 FCADLM CCOc1n[nH]c(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])n1 ZINC001152341801 1222946719 /nfs/dbraw/zinc/94/67/19/1222946719.db2.gz CGANIGAHXGJBIO-UHFFFAOYSA-N -1 2 360.305 0.643 20 0 FCADLM CCOc1n[nH]c(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)n1 ZINC001152341801 1222946722 /nfs/dbraw/zinc/94/67/22/1222946722.db2.gz CGANIGAHXGJBIO-UHFFFAOYSA-N -1 2 360.305 0.643 20 0 FCADLM C[NH+]1CCN(NC(=O)c2ccc(-c3ccc(-c4nn[nH]n4)nc3)cc2)CC1 ZINC001242098763 1259634602 /nfs/dbraw/zinc/63/46/02/1259634602.db2.gz HIBXKEVAJIGVNT-UHFFFAOYSA-N -1 2 364.413 0.821 20 0 FCADLM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)C(=O)Nc1ncccc1O ZINC001575439792 1272109690 /nfs/dbraw/zinc/10/96/90/1272109690.db2.gz VPIVTSMBTOCHRR-DTWKUNHWSA-N 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20 0 FCADLM COC(=O)Cn1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000485256816 490519545 /nfs/dbraw/zinc/51/95/45/490519545.db2.gz DMMWCJYOAQNPJZ-UHFFFAOYSA-N -1 2 357.319 0.694 20 0 FCADLM CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1 ZINC000538094491 490710292 /nfs/dbraw/zinc/71/02/92/490710292.db2.gz YIWWXNYUWDCZPY-UHFFFAOYSA-N -1 2 352.372 0.902 20 0 FCADLM CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000540294945 490814426 /nfs/dbraw/zinc/81/44/26/490814426.db2.gz WOSCTMTUBPQGSB-UHFFFAOYSA-N -1 2 373.412 0.713 20 0 FCADLM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(=O)n2[nH]cnc2n1 ZINC000544742561 490978666 /nfs/dbraw/zinc/97/86/66/490978666.db2.gz UPANYWOPTSGPCL-UHFFFAOYSA-N -1 2 353.367 0.534 20 0 FCADLM CCC(C)(C)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000566240013 491429262 /nfs/dbraw/zinc/42/92/62/491429262.db2.gz CEWPBRBSXHKBOZ-VIFPVBQESA-N -1 2 370.387 0.604 20 0 FCADLM Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CN=c1nc2[nH][nH]cc-2c(N)n1 ZINC000574684337 491513543 /nfs/dbraw/zinc/51/35/43/491513543.db2.gz DDIVKPGKSPDERS-QWRGUYRKSA-N -1 2 360.397 0.938 20 0 FCADLM CC(=O)NCCN(C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)[C@H](C)C(=O)[O-] ZINC000575045846 491535609 /nfs/dbraw/zinc/53/56/09/491535609.db2.gz UWKUBQYWYBWLFS-SECBINFHSA-N -1 2 362.342 0.081 20 0 FCADLM C[C@]1(C[C@H]2CCCN2C(=O)C2([NH+]3CCOCC3)CCC2)NC(=O)NC1=O ZINC000575455200 491554987 /nfs/dbraw/zinc/55/49/87/491554987.db2.gz PFYBCCSZWGFNFU-CXAGYDPISA-N -1 2 364.446 0.221 20 0 FCADLM Cc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000580564405 491736471 /nfs/dbraw/zinc/73/64/71/491736471.db2.gz XVODOMWLMFBKBU-UHFFFAOYSA-N -1 2 362.342 0.450 20 0 FCADLM COCCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000590264344 491771545 /nfs/dbraw/zinc/77/15/45/491771545.db2.gz IDDWARVSZKPTJU-UHFFFAOYSA-N -1 2 355.372 0.944 20 0 FCADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000599914934 492216992 /nfs/dbraw/zinc/21/69/92/492216992.db2.gz UPVBZLVMWLMGNP-UHFFFAOYSA-N -1 2 352.372 0.723 20 0 FCADLM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000684575864 493420132 /nfs/dbraw/zinc/42/01/32/493420132.db2.gz LDOOITBAPJFKIH-GFCCVEGCSA-N -1 2 359.473 0.248 20 0 FCADLM CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)[nH]n1 ZINC000546595478 547042716 /nfs/dbraw/zinc/04/27/16/547042716.db2.gz SZAUDMFJSOHTPK-UHFFFAOYSA-N -1 2 355.328 0.791 20 0 FCADLM COC(=O)Cn1cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cn1 ZINC000818506954 597315271 /nfs/dbraw/zinc/31/52/71/597315271.db2.gz SLQCHKMKQRRTFO-UHFFFAOYSA-N -1 2 353.356 0.484 20 0 FCADLM COCCOc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000737821112 599738835 /nfs/dbraw/zinc/73/88/35/599738835.db2.gz NUODNHGSTDKERA-UHFFFAOYSA-N -1 2 355.372 0.794 20 0 FCADLM Cc1cccc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)c1C(=O)[O-] ZINC000738745958 600099555 /nfs/dbraw/zinc/09/95/55/600099555.db2.gz AHNAVHHOKNDCFC-UHFFFAOYSA-N -1 2 366.399 0.779 20 0 FCADLM O=C([O-])c1n[nH]c2ccc(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc21 ZINC000739355011 600150935 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FCADLM CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832703999 600673819 /nfs/dbraw/zinc/67/38/19/600673819.db2.gz PYOSTKFCOKTBDH-UHFFFAOYSA-N -1 2 374.400 0.140 20 0 FCADLM Cn1cnnc1-c1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000326920849 600674067 /nfs/dbraw/zinc/67/40/67/600674067.db2.gz RMKYINMARWUFIM-UHFFFAOYSA-N -1 2 362.371 0.564 20 0 FCADLM CNC(=O)c1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C ZINC000324902461 600674298 /nfs/dbraw/zinc/67/42/98/600674298.db2.gz QGZFKAUTPDIATE-UHFFFAOYSA-N -1 2 352.372 0.437 20 0 FCADLM COC(=O)c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C ZINC000831434732 600681471 /nfs/dbraw/zinc/68/14/71/600681471.db2.gz AFLXYHDSNDNOHF-UHFFFAOYSA-N -1 2 353.356 0.864 20 0 FCADLM CCCOC(=O)c1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000829523425 600986517 /nfs/dbraw/zinc/98/65/17/600986517.db2.gz WAVIZRMPRDMVBG-UHFFFAOYSA-N -1 2 368.371 0.730 20 0 FCADLM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000831226724 600987176 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BURQNYZHEHIHCW-UHFFFAOYSA-N -1 2 368.367 0.809 20 0 FCADLM C[C@@H]([C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-])C1CC1 ZINC000521906893 490310801 /nfs/dbraw/zinc/31/08/01/490310801.db2.gz NTHNHDOUZHDGSE-LHLIQPBNSA-N -1 2 368.371 0.214 20 0 FCADLM C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)[C@@H](C(=O)[O-])C1 ZINC000547918187 490385810 /nfs/dbraw/zinc/38/58/10/490385810.db2.gz MNKBHJJMJAPHRO-OIBJUYFYSA-N -1 2 368.371 0.310 20 0 FCADLM COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000484802253 490469935 /nfs/dbraw/zinc/46/99/35/490469935.db2.gz JHKRETNCRXBYDH-UHFFFAOYSA-N -1 2 353.356 0.864 20 0 FCADLM O=C(C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)N1CCN(c2cnccn2)CC1 ZINC000450912522 490498460 /nfs/dbraw/zinc/49/84/60/490498460.db2.gz XPGPYAOXMGZCFK-CYBMUJFWSA-N -1 2 373.417 0.093 20 0 FCADLM CNC(=O)Cn1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000485266733 490520659 /nfs/dbraw/zinc/52/06/59/490520659.db2.gz DUXVDSPVIMRSMB-UHFFFAOYSA-N -1 2 356.335 0.267 20 0 FCADLM Cn1ncc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C(=O)[O-] ZINC000536988835 490631214 /nfs/dbraw/zinc/63/12/14/490631214.db2.gz PSXWGTWZESLSRG-UHFFFAOYSA-N -1 2 364.339 0.145 20 0 FCADLM CNC(=O)Cn1nc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC000504293650 490794262 /nfs/dbraw/zinc/79/42/62/490794262.db2.gz QZNUKPDOJBUWCX-UHFFFAOYSA-N -1 2 370.362 0.576 20 0 FCADLM C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)C2)C1 ZINC000516078416 490849541 /nfs/dbraw/zinc/84/95/41/490849541.db2.gz JCMKZGYTUBXTTQ-MRXNPFEDSA-N -1 2 351.476 0.750 20 0 FCADLM CCC(C)(C)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000566240012 491429265 /nfs/dbraw/zinc/42/92/65/491429265.db2.gz CEWPBRBSXHKBOZ-SECBINFHSA-N -1 2 370.387 0.604 20 0 FCADLM CCn1cc[nH+]c1[C@@H](NS(=O)(=O)[C@@H]1COC[C@@H]1OC)C1CCOCC1 ZINC000644255287 492684164 /nfs/dbraw/zinc/68/41/64/492684164.db2.gz CGYIGDFAWXYZMC-ZNMIVQPWSA-N -1 2 373.475 0.704 20 0 FCADLM C[C@@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC[C@H]1C(=O)[O-] ZINC000625955825 492906189 /nfs/dbraw/zinc/90/61/89/492906189.db2.gz HRSPFULUBGUMII-RKDXNWHRSA-N -1 2 354.432 0.765 20 0 FCADLM CNC(=O)Cn1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000737542758 600097561 /nfs/dbraw/zinc/09/75/61/600097561.db2.gz IMQOOAHWGFEDJO-UHFFFAOYSA-N -1 2 356.335 0.267 20 0 FCADLM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000739623064 600152170 /nfs/dbraw/zinc/15/21/70/600152170.db2.gz BCWUPKRLNLZYKJ-CYBMUJFWSA-N -1 2 353.338 0.109 20 0 FCADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000737694541 600529785 /nfs/dbraw/zinc/52/97/85/600529785.db2.gz PJJHDNNWRPHOLE-UHFFFAOYSA-N -1 2 357.319 0.694 20 0 FCADLM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000324444097 600530297 /nfs/dbraw/zinc/53/02/97/600530297.db2.gz CEYIRXCMXMTHRV-UHFFFAOYSA-N -1 2 356.316 0.685 20 0 FCADLM CN1C(=O)Cc2cc(S(=O)(=O)Nc3cnn(CC(=O)[O-])c3)ccc21 ZINC000324775633 600530429 /nfs/dbraw/zinc/53/04/29/600530429.db2.gz FQHWYEXJTCNOLO-UHFFFAOYSA-N -1 2 350.356 0.287 20 0 FCADLM COC(=O)Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000737631092 600628535 /nfs/dbraw/zinc/62/85/35/600628535.db2.gz OZSKKXWNEAJCRF-UHFFFAOYSA-N -1 2 353.356 0.484 20 0 FCADLM COC(=O)c1ccc(C)c(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000324846659 600673307 /nfs/dbraw/zinc/67/33/07/600673307.db2.gz LJWXOSPPEXBKDN-UHFFFAOYSA-N -1 2 353.356 0.864 20 0 FCADLM CS(=O)(=O)Cc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832681758 600679422 /nfs/dbraw/zinc/67/94/22/600679422.db2.gz HHZIZPSZHYIZCW-UHFFFAOYSA-N -1 2 373.412 0.313 20 0 FCADLM O=C([O-])C[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)c2ccccc21 ZINC000739646304 600859742 /nfs/dbraw/zinc/85/97/42/600859742.db2.gz JXYPKJATVKFLFL-SNVBAGLBSA-N -1 2 353.338 0.676 20 0 FCADLM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000833195591 601475598 /nfs/dbraw/zinc/47/55/98/601475598.db2.gz JOMMDNJJFKWNBD-AWEZNQCLSA-N -1 2 353.338 0.282 20 0 FCADLM CNC(=O)Cn1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000751146526 601836749 /nfs/dbraw/zinc/83/67/49/601836749.db2.gz VHMDANYZAWBCCW-UHFFFAOYSA-N -1 2 374.325 0.406 20 0 FCADLM CNC(=O)c1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cn1C ZINC000831005600 604624132 /nfs/dbraw/zinc/62/41/32/604624132.db2.gz RIZQUKWAMBGCMK-UHFFFAOYSA-N -1 2 372.428 0.659 20 0 FCADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)N=S(C)(C)=O)c1OC ZINC000821185709 669167043 /nfs/dbraw/zinc/16/70/43/669167043.db2.gz PLVZKPGSDGWDKT-UHFFFAOYSA-N -1 2 352.390 0.786 20 0 FCADLM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cn1 ZINC000815973279 669932742 /nfs/dbraw/zinc/93/27/42/669932742.db2.gz CBPTWOQVZNWNRB-VIFPVBQESA-N -1 2 370.353 0.411 20 0 FCADLM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnsn1 ZINC000851701813 671461081 /nfs/dbraw/zinc/46/10/81/671461081.db2.gz IYJJGZMEBVBUPN-IYSWYEEDSA-N -1 2 352.294 0.274 20 0 FCADLM CC[N@H+](CCO)CCNS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000882077484 673282128 /nfs/dbraw/zinc/28/21/28/673282128.db2.gz BXOYYYCESGPFHO-NRFANRHFSA-N -1 2 355.526 0.566 20 0 FCADLM Cn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@@H]2O)c1 ZINC001083405746 1188232528 /nfs/dbraw/zinc/23/25/28/1188232528.db2.gz YFPYMWCJYMGQBN-CABCVRRESA-N -1 2 357.414 0.373 20 0 FCADLM CCc1[nH]ccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001087955234 1189992574 /nfs/dbraw/zinc/99/25/74/1189992574.db2.gz CYTWLTWBMRNTTM-OLZOCXBDSA-N -1 2 358.446 0.593 20 0 FCADLM O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001076825790 1195037521 /nfs/dbraw/zinc/03/75/21/1195037521.db2.gz VAUAEOYXXQABGS-NILFDRSVSA-N -1 2 362.430 0.148 20 0 FCADLM CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001096104028 1218046339 /nfs/dbraw/zinc/04/63/39/1218046339.db2.gz BZLDIFSRUFYRKX-QPSCCSFWSA-N -1 2 362.478 0.995 20 0 FCADLM COc1cc2[nH]cc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)c(=O)c2c(OC)c1 ZINC001153002347 1222966223 /nfs/dbraw/zinc/96/62/23/1222966223.db2.gz TVLUFIVNVNIXHV-SECBINFHSA-N -1 2 370.369 0.688 20 0 FCADLM COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1c(O)cnc2ccc(OC)cc21 ZINC001154510546 1223010672 /nfs/dbraw/zinc/01/06/72/1223010672.db2.gz AYIGKSDYKWVCRN-CQSZACIVSA-N -1 2 359.382 0.878 20 0 FCADLM Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001080931664 1256101922 /nfs/dbraw/zinc/10/19/22/1256101922.db2.gz DLJBZHYPBVSRPX-YMTOWFKASA-N -1 2 360.418 0.670 20 0 FCADLM Cc1nc(C)c(CC(=O)N[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)c(=O)[nH]1 ZINC001080931624 1256102245 /nfs/dbraw/zinc/10/22/45/1256102245.db2.gz AZUFPTHZQPELER-MEBBXXQBSA-N -1 2 359.434 0.107 20 0 FCADLM O=C([O-])C[C@H](O)C(=O)Oc1cc(O)cc(O)c1C(=O)c1cccc(O)c1 ZINC001234161185 1259557639 /nfs/dbraw/zinc/55/76/39/1259557639.db2.gz IXYODZJIHJYEPQ-LBPRGKRZSA-N -1 2 362.290 0.775 20 0 FCADLM C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001580423645 1278280318 /nfs/dbraw/zinc/28/03/18/1278280318.db2.gz DCBOGCRKELNXLB-MRVPVSSYSA-N -1 2 361.797 0.798 20 0 FCADLM CC(C)CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574210859 1271100118 /nfs/dbraw/zinc/10/01/18/1271100118.db2.gz VLQBHTJABBEECU-CYBMUJFWSA-N -1 2 374.449 0.113 20 0 FCADLM CC(C)CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574210859 1271100119 /nfs/dbraw/zinc/10/01/19/1271100119.db2.gz VLQBHTJABBEECU-CYBMUJFWSA-N -1 2 374.449 0.113 20 0 FCADLM CC(C)N(C)C(=O)C[N@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001574246767 1271117394 /nfs/dbraw/zinc/11/73/94/1271117394.db2.gz PSRLWIBXYLCYNZ-UHFFFAOYSA-N -1 2 374.449 0.256 20 0 FCADLM CC(C)N(C)C(=O)C[N@@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001574246767 1271117397 /nfs/dbraw/zinc/11/73/97/1271117397.db2.gz PSRLWIBXYLCYNZ-UHFFFAOYSA-N -1 2 374.449 0.256 20 0 FCADLM CCCN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)Cn1cc[nH+]c1 ZINC001577625706 1274607587 /nfs/dbraw/zinc/60/75/87/1274607587.db2.gz CCBMSOWICQPSPR-UHFFFAOYSA-N -1 2 371.405 0.060 20 0 FCADLM CCC[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H](C)C(=O)OCC ZINC001577660058 1274671733 /nfs/dbraw/zinc/67/17/33/1274671733.db2.gz VGMXSSDFDLXHKY-JTQLQIEISA-N -1 2 374.405 0.779 20 0 FCADLM CCC[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H](C)C(=O)OCC ZINC001577660058 1274671745 /nfs/dbraw/zinc/67/17/45/1274671745.db2.gz VGMXSSDFDLXHKY-JTQLQIEISA-N -1 2 374.405 0.779 20 0 FCADLM CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)nn1 ZINC001578750315 1276233003 /nfs/dbraw/zinc/23/30/03/1276233003.db2.gz RGDFIXSIGKJUOB-SNVBAGLBSA-N -1 2 373.446 0.544 20 0 FCADLM CCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)nn1 ZINC001578750315 1276233006 /nfs/dbraw/zinc/23/30/06/1276233006.db2.gz RGDFIXSIGKJUOB-SNVBAGLBSA-N -1 2 373.446 0.544 20 0 FCADLM C[N@@H+](Cc1ccon1)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579260825 1277054182 /nfs/dbraw/zinc/05/41/82/1277054182.db2.gz JSIWGQNPCIULGP-ZDUSSCGKSA-N -1 2 356.390 0.919 20 0 FCADLM 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355.365 0.319 20 0 FCADLM COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)CC1 ZINC000289477950 489070141 /nfs/dbraw/zinc/07/01/41/489070141.db2.gz ZNSJKKSVJIDIOQ-GFCCVEGCSA-N -1 2 351.407 0.037 20 0 FCADLM Cc1cc(C(=O)NC2(c3nn[nH]n3)CCCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469536273 489711314 /nfs/dbraw/zinc/71/13/14/489711314.db2.gz WEOYDXDPHRTCTJ-UHFFFAOYSA-N -1 2 356.346 0.457 20 0 FCADLM COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cn1 ZINC000432778576 489854568 /nfs/dbraw/zinc/85/45/68/489854568.db2.gz FCDQPBFUESRRGY-UHFFFAOYSA-N -1 2 369.355 0.564 20 0 FCADLM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCO[C@H](c2nn[nH]n2)C1 ZINC000378535891 490082636 /nfs/dbraw/zinc/08/26/36/490082636.db2.gz BCFHFJHMEZGISK-LBPRGKRZSA-N -1 2 359.321 0.444 20 0 FCADLM COC(=O)Cn1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000571489489 491311147 /nfs/dbraw/zinc/31/11/47/491311147.db2.gz GABGBDUWBDNJIS-UHFFFAOYSA-N -1 2 353.356 0.484 20 0 FCADLM COCCn1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)cn1 ZINC000484558247 490441977 /nfs/dbraw/zinc/44/19/77/490441977.db2.gz PZNVNIZIRGFKSP-UHFFFAOYSA-N -1 2 369.355 0.757 20 0 FCADLM CC(C)(CCCNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000548554605 490503992 /nfs/dbraw/zinc/50/39/92/490503992.db2.gz AOJWKDGLLYAJCP-UHFFFAOYSA-N -1 2 370.387 0.605 20 0 FCADLM CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000548564433 490507813 /nfs/dbraw/zinc/50/78/13/490507813.db2.gz LGEIDAWNKJEHLY-UHFFFAOYSA-N -1 2 370.387 0.557 20 0 FCADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(-n2nnnc2C)c1 ZINC000548588639 490513439 /nfs/dbraw/zinc/51/34/39/490513439.db2.gz UNYWRJCZRPPVSD-UHFFFAOYSA-N -1 2 363.359 0.501 20 0 FCADLM CCn1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)nc1C ZINC000502422420 490704226 /nfs/dbraw/zinc/70/42/26/490704226.db2.gz YAKBQSOFEKREBI-UHFFFAOYSA-N -1 2 365.459 0.922 20 0 FCADLM COc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1C(N)=O ZINC000541123645 490850944 /nfs/dbraw/zinc/85/09/44/490850944.db2.gz FHCOQNVNYBTGIS-UHFFFAOYSA-N -1 2 353.356 0.632 20 0 FCADLM C[C@H](Cn1cc[nH+]c1)N=c1cc(N[C@@H](C)Cn2cc[nH+]c2)n2[nH]cnc2n1 ZINC000576440129 491614673 /nfs/dbraw/zinc/61/46/73/491614673.db2.gz YEAWCZPKQLBZEV-KGLIPLIRSA-N -1 2 366.433 0.940 20 0 FCADLM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cccc2[nH]nnc21 ZINC000581935078 491790752 /nfs/dbraw/zinc/79/07/52/491790752.db2.gz PCCLWEHMMDOOBS-PWSUYJOCSA-N -1 2 351.432 0.796 20 0 FCADLM O=C(Cc1cncc(O)c1)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615090665 492072337 /nfs/dbraw/zinc/07/23/37/492072337.db2.gz GARKIYJPKATWFL-OAHLLOKOSA-N -1 2 351.472 0.996 20 0 FCADLM CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000647629303 492338782 /nfs/dbraw/zinc/33/87/82/492338782.db2.gz JLJFMCNCDLATDN-XVKPBYJWSA-N -1 2 368.371 0.452 20 0 FCADLM C[C@@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC[C@@H]1C(=O)[O-] ZINC000625955822 492906281 /nfs/dbraw/zinc/90/62/81/492906281.db2.gz HRSPFULUBGUMII-BDAKNGLRSA-N -1 2 354.432 0.765 20 0 FCADLM C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000626583037 492998461 /nfs/dbraw/zinc/99/84/61/492998461.db2.gz RUVKRIBTSRBVLH-LBPRGKRZSA-N -1 2 370.475 0.370 20 0 FCADLM CC(C)c1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)n[nH]1 ZINC000681935990 493250621 /nfs/dbraw/zinc/25/06/21/493250621.db2.gz SGRRANIQZWHJNZ-GFCCVEGCSA-N -1 2 359.434 0.957 20 0 FCADLM CCC[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1nn[nH]n1 ZINC000675145083 493470163 /nfs/dbraw/zinc/47/01/63/493470163.db2.gz AGKFYFYOEXZHBH-AWEZNQCLSA-N -1 2 358.450 0.764 20 0 FCADLM Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1C(N)=O ZINC000320151105 600053376 /nfs/dbraw/zinc/05/33/76/600053376.db2.gz JKALAROMBLSPDX-UHFFFAOYSA-N -1 2 355.397 0.978 20 0 FCADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cn1 ZINC000392136770 600672144 /nfs/dbraw/zinc/67/21/44/600672144.db2.gz PVGBUDKWIADZEN-UHFFFAOYSA-N -1 2 353.356 0.930 20 0 FCADLM COC(=O)Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000831188803 600673802 /nfs/dbraw/zinc/67/38/02/600673802.db2.gz JBGQQJKFXQMJPA-UHFFFAOYSA-N -1 2 353.356 0.484 20 0 FCADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(-n3cc[nH]c3=O)c2)cn1 ZINC000833274129 600678270 /nfs/dbraw/zinc/67/82/70/600678270.db2.gz RAUDAKVXRWGCOO-UHFFFAOYSA-N -1 2 363.355 0.660 20 0 FCADLM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 ZINC000832230776 600850714 /nfs/dbraw/zinc/85/07/14/600850714.db2.gz GICZFJAWKQESDT-QWRGUYRKSA-N -1 2 351.384 0.884 20 0 FCADLM COc1cc(NC(=O)CC2SC(=N)NC2=O)c(C(=O)[O-])cc1OC ZINC000832017302 600858018 /nfs/dbraw/zinc/85/80/18/600858018.db2.gz PSDJFBNMZYCIOS-JTQLQIEISA-N -1 2 353.356 0.897 20 0 FCADLM CCOC(=O)c1cccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)c1 ZINC000829885425 600984902 /nfs/dbraw/zinc/98/49/02/600984902.db2.gz MWFPLWHPPMACDS-UHFFFAOYSA-N -1 2 354.344 0.340 20 0 FCADLM COc1cc(C)c(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1OC ZINC000831966606 600986817 /nfs/dbraw/zinc/98/68/17/600986817.db2.gz FVQLEJWVZRXIQR-UHFFFAOYSA-N -1 2 356.360 0.489 20 0 FCADLM CCOC(=O)c1sc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)nc1C ZINC000829895193 601358948 /nfs/dbraw/zinc/35/89/48/601358948.db2.gz JLNVBXZWKCMFQP-UHFFFAOYSA-N -1 2 374.400 0.710 20 0 FCADLM COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000831192324 601361459 /nfs/dbraw/zinc/36/14/59/601361459.db2.gz GRQOXCWXEJIFNU-QPJJXVBHSA-N -1 2 366.355 0.350 20 0 FCADLM CCn1c(=O)c2ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])cc2[nH]c1=S ZINC000830411220 601696765 /nfs/dbraw/zinc/69/67/65/601696765.db2.gz CXMGZLKZDOUBSO-INIZCTEOSA-N -1 2 365.411 0.925 20 0 FCADLM Cn1c2ccc(S(=O)(=O)Nc3csnc3C(=O)[O-])cc2n(C)c1=O ZINC000833037978 602155509 /nfs/dbraw/zinc/15/55/09/602155509.db2.gz HNSDLBWSVIFWGJ-UHFFFAOYSA-N -1 2 368.396 0.833 20 0 FCADLM CCOC(=O)Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000833659320 605052895 /nfs/dbraw/zinc/05/28/95/605052895.db2.gz VAWHQCGEYODWOE-UHFFFAOYSA-N -1 2 374.400 0.481 20 0 FCADLM Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)c(C(=O)[O-])c1 ZINC000833751146 605189358 /nfs/dbraw/zinc/18/93/58/605189358.db2.gz PLWYAOSOTPSSPZ-UHFFFAOYSA-N -1 2 366.399 0.779 20 0 FCADLM CCn1c(=O)c2ccc(C(=O)N[C@H](COC)C(=O)[O-])cc2[nH]c1=S ZINC000833683167 605414753 /nfs/dbraw/zinc/41/47/53/605414753.db2.gz FJFFSUGLUMWYMJ-LLVKDONJSA-N -1 2 351.384 0.535 20 0 FCADLM Cn1ncc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1C(=O)[O-] ZINC000774620855 668162763 /nfs/dbraw/zinc/16/27/63/668162763.db2.gz GMMARVGPHPIVMK-UHFFFAOYSA-N -1 2 366.355 0.876 20 0 FCADLM Cn1ncc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1Br ZINC000867157396 670024002 /nfs/dbraw/zinc/02/40/02/670024002.db2.gz WRSWVJSJEYNSND-UHFFFAOYSA-N -1 2 367.269 0.183 20 0 FCADLM Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000978943256 1186030741 /nfs/dbraw/zinc/03/07/41/1186030741.db2.gz PCXFDFVAYJHHEP-YVECIDJPSA-N -1 2 370.413 0.344 20 0 FCADLM O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000632388051 1212777776 /nfs/dbraw/zinc/77/77/76/1212777776.db2.gz WVKPJCUYSQVPMS-VIFPVBQESA-N -1 2 354.823 0.599 20 0 FCADLM O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC[N@H+]2CC[C@H]1C2 ZINC000632388051 1212777782 /nfs/dbraw/zinc/77/77/82/1212777782.db2.gz WVKPJCUYSQVPMS-VIFPVBQESA-N -1 2 354.823 0.599 20 0 FCADLM COc1nc(Nc2[nH]c(=O)[nH]c3nc(=O)[n-]c2-3)nc(N2CCCCCC2)n1 ZINC001159190125 1223119984 /nfs/dbraw/zinc/11/99/84/1223119984.db2.gz STKKZJGDJOZJLA-UHFFFAOYSA-N -1 2 373.377 0.455 20 0 FCADLM CCC[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H](C)c1nncn1C ZINC001577625870 1274606626 /nfs/dbraw/zinc/60/66/26/1274606626.db2.gz IUTNHDFOARXRDA-LLVKDONJSA-N -1 2 372.437 0.526 20 0 FCADLM CCC[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H](C)c1nncn1C ZINC001577625870 1274606635 /nfs/dbraw/zinc/60/66/35/1274606635.db2.gz IUTNHDFOARXRDA-LLVKDONJSA-N -1 2 372.437 0.526 20 0 FCADLM Cn1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001579260601 1277054997 /nfs/dbraw/zinc/05/49/97/1277054997.db2.gz BZLIRJPYFKHUFA-LBPRGKRZSA-N -1 2 370.421 0.060 20 0 FCADLM C[N@H+](Cc1ccon1)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579260831 1277055830 /nfs/dbraw/zinc/05/58/30/1277055830.db2.gz JWGPGRUBEBXQOE-ZDUSSCGKSA-N -1 2 356.390 0.919 20 0 FCADLM CC(=O)OCCc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001603088566 1287307422 /nfs/dbraw/zinc/30/74/22/1287307422.db2.gz ZBUDQUOCMNPGRG-UHFFFAOYSA-N -1 2 367.383 0.874 20 0 FCADLM COCC[N@H+](CCNC(=O)C(F)F)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579792152 1277913807 /nfs/dbraw/zinc/91/38/07/1277913807.db2.gz DPPXUNUWMNMBRD-UHFFFAOYSA-N -1 2 372.351 0.836 20 0 FCADLM Cc1ccnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581279270 1279575585 /nfs/dbraw/zinc/57/55/85/1279575585.db2.gz QGWWFJBUIJTCAR-HBYGRHMLSA-N -1 2 365.401 0.153 20 0 FCADLM O=C(CCn1cc[nH+]c1)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001582088873 1281041875 /nfs/dbraw/zinc/04/18/75/1281041875.db2.gz MPYVWNHIIZROBY-UHFFFAOYSA-N -1 2 353.390 0.197 20 0 FCADLM O=C(CNc1ccc(-c2nn[nH]n2)cn1)N1CCC(n2cc[nH+]c2)CC1 ZINC001582112988 1281064355 /nfs/dbraw/zinc/06/43/55/1281064355.db2.gz MUWFYVKBFXYLQP-UHFFFAOYSA-N -1 2 353.390 0.734 20 0 FCADLM CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)C1 ZINC001589633159 1282923788 /nfs/dbraw/zinc/92/37/88/1282923788.db2.gz NGNXYOIQIBFSAR-ZDUSSCGKSA-N -1 2 360.418 0.659 20 0 FCADLM CCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)no1 ZINC001604557007 1287661441 /nfs/dbraw/zinc/66/14/41/1287661441.db2.gz HSJUBSLKUFIWGS-AOOOYVTPSA-N -1 2 357.378 0.191 20 0 FCADLM CN(C(=O)Cc1ccc(-c2nn[nH]n2)nc1)C(C)(C)C[NH+]1CCOCC1 ZINC001590984575 1284038410 /nfs/dbraw/zinc/03/84/10/1284038410.db2.gz WOWZDNVZOIBAHC-UHFFFAOYSA-N -1 2 359.434 0.373 20 0 FCADLM COCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001591407616 1284549395 /nfs/dbraw/zinc/54/93/95/1284549395.db2.gz NIXCQNCPKUGUHG-HNNXBMFYSA-N -1 2 374.445 0.610 20 0 FCADLM COCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001591407616 1284549400 /nfs/dbraw/zinc/54/94/00/1284549400.db2.gz NIXCQNCPKUGUHG-HNNXBMFYSA-N -1 2 374.445 0.610 20 0 FCADLM COCc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC001591454592 1284617980 /nfs/dbraw/zinc/61/79/80/1284617980.db2.gz CONGGJDROCZSPY-UHFFFAOYSA-N -1 2 359.434 0.223 20 0 FCADLM Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001591785660 1284903034 /nfs/dbraw/zinc/90/30/34/1284903034.db2.gz SOFABFFJUSRXTM-QMMMGPOBSA-N -1 2 362.390 0.696 20 0 FCADLM Cc1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1CC(=O)[O-] ZINC001600054997 1286432733 /nfs/dbraw/zinc/43/27/33/1286432733.db2.gz TTXIGHQVJHLOQE-UHFFFAOYSA-N -1 2 352.328 0.924 20 0 FCADLM Cc1ccc2c(n1)[nH]cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2=O ZINC001600493588 1286498158 /nfs/dbraw/zinc/49/81/58/1286498158.db2.gz OOHPIGQQHVJEIC-ZDUSSCGKSA-N -1 2 374.397 0.989 20 0 FCADLM Cc1nc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)nc2c1CCCC2 ZINC001600717214 1286531574 /nfs/dbraw/zinc/53/15/74/1286531574.db2.gz BWUFTBKVTXLERK-UHFFFAOYSA-N -1 2 351.388 0.746 20 0 FCADLM 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FCADLM O=C([O-])[C@@H](COCc1ccccc1)NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001574806273 1271546809 /nfs/dbraw/zinc/54/68/09/1271546809.db2.gz ZEZMFHHSTYINCN-LSDHHAIUSA-N -1 2 369.439 0.988 20 0 FCADLM CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001575735555 1272403238 /nfs/dbraw/zinc/40/32/38/1272403238.db2.gz GJILYJKYAZYSMW-LBPRGKRZSA-N -1 2 354.374 0.531 20 0 FCADLM C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C2(CCC2)CO1 ZINC001576361040 1273184839 /nfs/dbraw/zinc/18/48/39/1273184839.db2.gz QGRZZBMAGGNZCL-JTQLQIEISA-N -1 2 356.390 0.758 20 0 FCADLM C[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C2(CCC2)CO1 ZINC001576361040 1273184840 /nfs/dbraw/zinc/18/48/40/1273184840.db2.gz QGRZZBMAGGNZCL-JTQLQIEISA-N -1 2 356.390 0.758 20 0 FCADLM Cc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C2)co1 ZINC001580773074 1278903470 /nfs/dbraw/zinc/90/34/70/1278903470.db2.gz HVJOFFUBBMNNIT-GFCCVEGCSA-N -1 2 354.374 0.909 20 0 FCADLM Cc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001580773074 1278903472 /nfs/dbraw/zinc/90/34/72/1278903472.db2.gz HVJOFFUBBMNNIT-GFCCVEGCSA-N -1 2 354.374 0.909 20 0 FCADLM CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001578885542 1276416200 /nfs/dbraw/zinc/41/62/00/1276416200.db2.gz AIALDFJUQCCFAF-ZDUSSCGKSA-N -1 2 367.417 0.275 20 0 FCADLM CN(CC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001579010456 1276584761 /nfs/dbraw/zinc/58/47/61/1276584761.db2.gz GMKUDLHMLYEONU-NEPJUHHUSA-N -1 2 363.447 0.272 20 0 FCADLM C[N@@H+](CC(=O)Nc1ccccn1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001579010498 1276585991 /nfs/dbraw/zinc/58/59/91/1276585991.db2.gz IJKKITSAPDZMGW-AWEZNQCLSA-N -1 2 353.386 0.866 20 0 FCADLM C[N@H+](CC(=O)Nc1ccccn1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001579010498 1276585998 /nfs/dbraw/zinc/58/59/98/1276585998.db2.gz IJKKITSAPDZMGW-AWEZNQCLSA-N -1 2 353.386 0.866 20 0 FCADLM CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC001603082435 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N=C1NC(=O)[C@@H](CC(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)S1 ZINC001601178672 1286677130 /nfs/dbraw/zinc/67/71/30/1286677130.db2.gz VJKVGPVJKMNMBG-DSYKOEDSSA-N -1 2 353.322 0.654 20 0 FCADLM NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001601201841 1286697254 /nfs/dbraw/zinc/69/72/54/1286697254.db2.gz PFBQXXAQNSUVOS-UHFFFAOYSA-N -1 2 370.408 0.762 20 0 FCADLM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC001601646597 1286799068 /nfs/dbraw/zinc/79/90/68/1286799068.db2.gz WAVWIWNQVDBSRW-ZETCQYMHSA-N -1 2 366.779 0.700 20 0 FCADLM O=C([O-])C1CCC(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC001601798782 1286837468 /nfs/dbraw/zinc/83/74/68/1286837468.db2.gz LOGJFTOSWNBQFA-HSOILSAZSA-N -1 2 358.420 0.663 20 0 FCADLM O=C([O-])Cc1csc(NC(=O)CN2CCC(c3n[nH]c(=O)[nH]3)CC2)n1 ZINC001602150722 1286949337 /nfs/dbraw/zinc/94/93/37/1286949337.db2.gz MDSQAMGAKXMDHG-UHFFFAOYSA-N -1 2 366.403 0.412 20 0 FCADLM O=C([O-])[C@@H](O)CNS(=O)(=O)c1c(F)cc(Br)cc1F ZINC001602171513 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FCADLM Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)[NH+](C)C)c1[O-] ZINC001002055853 1252424302 /nfs/dbraw/zinc/42/43/02/1252424302.db2.gz BIYXYKRVSAMVDM-GUIRCDHDSA-N -1 2 361.446 0.626 20 0 FCADLM CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574210877 1271100167 /nfs/dbraw/zinc/10/01/67/1271100167.db2.gz WJKITRCOHADBFU-AAEUAGOBSA-N -1 2 374.449 0.160 20 0 FCADLM CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574210877 1271100169 /nfs/dbraw/zinc/10/01/69/1271100169.db2.gz WJKITRCOHADBFU-AAEUAGOBSA-N -1 2 374.449 0.160 20 0 FCADLM CCCCc1noc(C[NH2+][C@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001577519953 1274467151 /nfs/dbraw/zinc/46/71/51/1274467151.db2.gz CGNVNBHMWDVOOS-SNVBAGLBSA-N -1 2 373.421 0.829 20 0 FCADLM Cc1cc(C(=O)N(C)C2CC(Nc3ccnc(-c4nnn[n-]4)n3)C2)no1 ZINC001580772865 1278903218 /nfs/dbraw/zinc/90/32/18/1278903218.db2.gz YVMZELBDYRUVPJ-UHFFFAOYSA-N -1 2 355.362 0.090 20 0 FCADLM Cc1cc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001580772865 1278903223 /nfs/dbraw/zinc/90/32/23/1278903223.db2.gz YVMZELBDYRUVPJ-UHFFFAOYSA-N -1 2 355.362 0.090 20 0 FCADLM CCOC(=O)C[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)C ZINC001578245517 1275548198 /nfs/dbraw/zinc/54/81/98/1275548198.db2.gz UQNVJIOKZLBIAH-UHFFFAOYSA-N -1 2 360.378 0.389 20 0 FCADLM CCOC(=O)C[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)C ZINC001578245517 1275548202 /nfs/dbraw/zinc/54/82/02/1275548202.db2.gz UQNVJIOKZLBIAH-UHFFFAOYSA-N -1 2 360.378 0.389 20 0 FCADLM C[N@@H+](CC(=O)Nc1ccccn1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001579010499 1276585386 /nfs/dbraw/zinc/58/53/86/1276585386.db2.gz IJKKITSAPDZMGW-CQSZACIVSA-N -1 2 353.386 0.866 20 0 FCADLM C[N@H+](CC(=O)Nc1ccccn1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001579010499 1276585392 /nfs/dbraw/zinc/58/53/92/1276585392.db2.gz IJKKITSAPDZMGW-CQSZACIVSA-N -1 2 353.386 0.866 20 0 FCADLM C[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)C1CCS(=O)CC1 ZINC001579010506 1276586103 /nfs/dbraw/zinc/58/61/03/1276586103.db2.gz IQKQITYFHNZTEE-UHFFFAOYSA-N -1 2 354.461 0.710 20 0 FCADLM C[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)C1CCS(=O)CC1 ZINC001579010506 1276586107 /nfs/dbraw/zinc/58/61/07/1276586107.db2.gz IQKQITYFHNZTEE-UHFFFAOYSA-N -1 2 354.461 0.710 20 0 FCADLM Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)o1 ZINC001581609717 1280232408 /nfs/dbraw/zinc/23/24/08/1280232408.db2.gz MTSJMCSPMAXUEB-CABZTGNLSA-N -1 2 371.405 0.669 20 0 FCADLM Cc1nonc1C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581655968 1280367239 /nfs/dbraw/zinc/36/72/39/1280367239.db2.gz SJIBVDYBJSKNBA-NSHDSACASA-N -1 2 371.405 0.528 20 0 FCADLM Cn1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581790743 1280518659 /nfs/dbraw/zinc/51/86/59/1280518659.db2.gz UGAIPFGQWUKECK-ZDUSSCGKSA-N -1 2 369.433 0.713 20 0 FCADLM O=C(CCn1cc[nH+]c1)N[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001582088968 1281041368 /nfs/dbraw/zinc/04/13/68/1281041368.db2.gz PFCQLDCUNLVCGM-HNNXBMFYSA-N -1 2 367.417 0.855 20 0 FCADLM O=C(CCn1cc[nH+]c1)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CCC1 ZINC001582088874 1281042089 /nfs/dbraw/zinc/04/20/89/1281042089.db2.gz MQTFKWLINYMGGU-UHFFFAOYSA-N -1 2 368.405 0.394 20 0 FCADLM O=C(CCn1cc[nH+]c1)N[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001582088901 1281043353 /nfs/dbraw/zinc/04/33/53/1281043353.db2.gz NMMIBGKGROPSGK-LBPRGKRZSA-N -1 2 368.405 0.250 20 0 FCADLM O=C(c1ccncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001582722645 1281929127 /nfs/dbraw/zinc/92/91/27/1281929127.db2.gz KKUOGJAPZMRVGR-QWRGUYRKSA-N -1 2 368.426 0.817 20 0 FCADLM O=C(c1ccncn1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001582722645 1281929132 /nfs/dbraw/zinc/92/91/32/1281929132.db2.gz KKUOGJAPZMRVGR-QWRGUYRKSA-N -1 2 368.426 0.817 20 0 FCADLM COc1cc(C(=O)N(C)[C@H]2CC[N@@H+]3CCO[C@H]2C3)ccc1-c1nn[nH]n1 ZINC001591509773 1284698123 /nfs/dbraw/zinc/69/81/23/1284698123.db2.gz ZPVPIUWKNQYHNS-ZFWWWQNUSA-N -1 2 358.402 0.420 20 0 FCADLM COc1cc(C(=O)N(C)[C@H]2CC[N@H+]3CCO[C@H]2C3)ccc1-c1nn[nH]n1 ZINC001591509773 1284698134 /nfs/dbraw/zinc/69/81/34/1284698134.db2.gz ZPVPIUWKNQYHNS-ZFWWWQNUSA-N -1 2 358.402 0.420 20 0 FCADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001593279139 1286062096 /nfs/dbraw/zinc/06/20/96/1286062096.db2.gz SDVDHOKUQGCCJK-UHFFFAOYSA-N -1 2 364.318 0.900 20 0 FCADLM O=S(=O)(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC001593435347 1286155576 /nfs/dbraw/zinc/15/55/76/1286155576.db2.gz LNOMZAAQOQDLOI-GFCCVEGCSA-N -1 2 363.447 0.557 20 0 FCADLM Cc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1C(N)=O ZINC001600483672 1286495867 /nfs/dbraw/zinc/49/58/67/1286495867.db2.gz GQFNXCJBTFKBNU-UHFFFAOYSA-N -1 2 366.399 0.911 20 0 FCADLM Cc1c(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cnn1CC(=O)[O-] ZINC001600483612 1286496141 /nfs/dbraw/zinc/49/61/41/1286496141.db2.gz BZXQZMMBZPPSOE-UHFFFAOYSA-N -1 2 352.372 0.484 20 0 FCADLM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC001601810661 1286839462 /nfs/dbraw/zinc/83/94/62/1286839462.db2.gz VXCLZDLQAWSEIO-GHMZBOCLSA-N -1 2 358.420 0.663 20 0 FCADLM O=C([O-])CCSc1ncccc1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001602034287 1286909985 /nfs/dbraw/zinc/90/99/85/1286909985.db2.gz KAPQFMZHOWZKKH-UHFFFAOYSA-N -1 2 374.382 0.672 20 0 FCADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1 ZINC001602089980 1286931810 /nfs/dbraw/zinc/93/18/10/1286931810.db2.gz VDLFTIWMJHNENP-UHFFFAOYSA-N -1 2 352.372 0.879 20 0 FCADLM Cc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC001605543014 1287993354 /nfs/dbraw/zinc/99/33/54/1287993354.db2.gz FDXVNNFENHKJMX-UHFFFAOYSA-N -1 2 367.431 0.606 20 0 FCADLM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001605594331 1288023088 /nfs/dbraw/zinc/02/30/88/1288023088.db2.gz MPDJWGHOYSOCJZ-PHIMTYICSA-N -1 2 366.389 0.182 20 0 FCADLM Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001605986933 1288120968 /nfs/dbraw/zinc/12/09/68/1288120968.db2.gz ZRTFCPPLAVWYGW-ZYHUDNBSSA-N -1 2 368.405 0.263 20 0 FCADLM Cc1cncn1CC(=O)N1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001605986933 1288120973 /nfs/dbraw/zinc/12/09/73/1288120973.db2.gz ZRTFCPPLAVWYGW-ZYHUDNBSSA-N -1 2 368.405 0.263 20 0 FCADLM COC(=O)[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1cccs1 ZINC001606341174 1288264219 /nfs/dbraw/zinc/26/42/19/1288264219.db2.gz CMLBWGBCPXFKAG-SECBINFHSA-N -1 2 359.385 0.670 20 0 FCADLM O=C([N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1)c1cccc2cn[nH]c21 ZINC001609560264 1289224688 /nfs/dbraw/zinc/22/46/88/1289224688.db2.gz DHTADQXYXRSSFP-UHFFFAOYSA-N -1 2 369.366 0.862 20 0 FCADLM C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609763559 1289293958 /nfs/dbraw/zinc/29/39/58/1289293958.db2.gz PWZSMIAQAUMRCM-WCQYABFASA-N -1 2 369.381 0.519 20 0 FCADLM COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cn1 ZINC001610187880 1289416268 /nfs/dbraw/zinc/41/62/68/1289416268.db2.gz UGWDDTCCBZDLNO-UHFFFAOYSA-N -1 2 371.346 0.623 20 0 FCADLM Cc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cnn1CC(=O)[O-] ZINC001610427502 1289486540 /nfs/dbraw/zinc/48/65/40/1289486540.db2.gz WVJBDBLELOKZSJ-UHFFFAOYSA-N -1 2 351.344 0.659 20 0 FCADLM Cn1ccc2ccc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2c1=O ZINC001610609252 1289526621 /nfs/dbraw/zinc/52/66/21/1289526621.db2.gz GAMJJFZNIQOOPB-UHFFFAOYSA-N -1 2 362.367 0.620 20 0 FCADLM O=C([O-])c1sc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)nc1C1CC1 ZINC001610676817 1289548646 /nfs/dbraw/zinc/54/86/46/1289548646.db2.gz DDTOWKJTDFBMRV-UHFFFAOYSA-N -1 2 360.355 0.742 20 0 FCADLM O=C([O-])c1ccc(CS(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1 ZINC001610829795 1289602228 /nfs/dbraw/zinc/60/22/28/1289602228.db2.gz LZYOHBOIGNBCEX-LBPRGKRZSA-N -1 2 353.356 0.223 20 0 FCADLM O=C([O-])c1ccc(CS(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001610829795 1289602238 /nfs/dbraw/zinc/60/22/38/1289602238.db2.gz LZYOHBOIGNBCEX-LBPRGKRZSA-N -1 2 353.356 0.223 20 0 FCADLM CCn1c(N)c(Nc2ccc([P@@](=O)([O-])O)cc2)c(=O)n(CC)c1=O ZINC001164478361 850414082 /nfs/dbraw/zinc/41/40/82/850414082.db2.gz DWGALIYSEFXUKV-UHFFFAOYSA-N -1 2 354.303 0.179 20 0 FCADLM CCn1c(N)c(Nc2ccc([P@](=O)([O-])O)cc2)c(=O)n(CC)c1=O ZINC001164478361 850414088 /nfs/dbraw/zinc/41/40/88/850414088.db2.gz DWGALIYSEFXUKV-UHFFFAOYSA-N -1 2 354.303 0.179 20 0 FCADLM COc1ccc(S(=O)(=O)Nc2ncnc3c2cnn3C)cc1C(=O)[O-] ZINC001185270618 851348086 /nfs/dbraw/zinc/34/80/86/851348086.db2.gz AUIYJDWRZAZIKO-UHFFFAOYSA-N -1 2 363.355 0.871 20 0 FCADLM COC(=O)c1cc(Br)c(O)cc1OC(=O)[C@H](O)CC(=O)[O-] ZINC001227359744 857156736 /nfs/dbraw/zinc/15/67/36/857156736.db2.gz NXWPPQZAGKIAIT-MRVPVSSYSA-N -1 2 363.116 0.682 20 0 FCADLM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(Cl)c(O)cc1F ZINC001250020132 857654192 /nfs/dbraw/zinc/65/41/92/857654192.db2.gz LSDVEUNYPZENOV-UHFFFAOYSA-N -1 2 365.730 0.196 20 0 FCADLM O=c1[nH]c2nc(=O)[nH]c(NS(=O)(=O)c3ccc(F)c(F)c3F)c2[nH]1 ZINC001259082403 858238272 /nfs/dbraw/zinc/23/82/72/858238272.db2.gz ZEOWAZYNPZQXLD-UHFFFAOYSA-N -1 2 361.261 0.982 20 0 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CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001191349158 1207776241 /nfs/dbraw/zinc/77/62/41/1207776241.db2.gz PEHICMMDHDKMLP-HUUCEWRRSA-N -1 2 364.446 0.538 20 0 FCADLM Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)c3cn[nH]n3)C2)c1[O-] ZINC001009186575 1212815123 /nfs/dbraw/zinc/81/51/23/1212815123.db2.gz RKGMUGAZOLQIKY-QFYYESIMSA-N -1 2 359.390 0.214 20 0 FCADLM Cc1[nH]nc(C(=O)N2CC[C@@]3(CNC(=O)c4cn[nH]n4)CCC[C@@H]23)c1[O-] ZINC000995347165 1250822959 /nfs/dbraw/zinc/82/29/59/1250822959.db2.gz UEYSYDLCHHNRIY-BDJLRTHQSA-N -1 2 359.390 0.357 20 0 FCADLM CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574237746 1271111259 /nfs/dbraw/zinc/11/12/59/1271111259.db2.gz UBYZZNXVAFAPFI-LBPRGKRZSA-N -1 2 358.406 0.862 20 0 FCADLM CC(C)C[C@H]1COCC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574237746 1271111264 /nfs/dbraw/zinc/11/12/64/1271111264.db2.gz UBYZZNXVAFAPFI-LBPRGKRZSA-N -1 2 358.406 0.862 20 0 FCADLM CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574246839 1271117636 /nfs/dbraw/zinc/11/76/36/1271117636.db2.gz RNIFLFGMZIENLB-ZDUSSCGKSA-N -1 2 374.449 0.208 20 0 FCADLM CC(C)N(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574246839 1271117642 /nfs/dbraw/zinc/11/76/42/1271117642.db2.gz RNIFLFGMZIENLB-ZDUSSCGKSA-N -1 2 374.449 0.208 20 0 FCADLM CC(C)c1nc(C[NH2+][C@H](C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)no1 ZINC001574627183 1271424137 /nfs/dbraw/zinc/42/41/37/1271424137.db2.gz KZRYQOQQYYPKEQ-SNVBAGLBSA-N -1 2 373.421 0.999 20 0 FCADLM O=C([O-])[C@@H](COCc1ccccc1)NC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001574806272 1271546154 /nfs/dbraw/zinc/54/61/54/1271546154.db2.gz ZEZMFHHSTYINCN-HUUCEWRRSA-N -1 2 369.439 0.988 20 0 FCADLM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H](C)C(=O)Nc1ncccc1O ZINC001575439796 1272109844 /nfs/dbraw/zinc/10/98/44/1272109844.db2.gz VPIVTSMBTOCHRR-RKDXNWHRSA-N -1 2 355.362 0.254 20 0 FCADLM CCN(CCNc1ccc(-c2nn[nH]n2)nc1)C(=O)CCc1c[nH+]cn1C ZINC001578118425 1275419469 /nfs/dbraw/zinc/41/94/69/1275419469.db2.gz NYPSSCLYSPJZCM-UHFFFAOYSA-N -1 2 369.433 0.888 20 0 FCADLM CN(C(=O)CCc1cn[nH]c1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578874858 1276402147 /nfs/dbraw/zinc/40/21/47/1276402147.db2.gz NGHMVNHRHJDPBT-UHFFFAOYSA-N -1 2 366.429 0.865 20 0 FCADLM COCC[N@@H+](C/C=C\Cl)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579791824 1277913753 /nfs/dbraw/zinc/91/37/53/1277913753.db2.gz DDQUOEORJIWWLB-DJWKRKHSSA-N -1 2 353.814 0.626 20 0 FCADLM C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001603553113 1287420341 /nfs/dbraw/zinc/42/03/41/1287420341.db2.gz NFEFQWVRAXFNMW-LBPRGKRZSA-N -1 2 369.433 0.887 20 0 FCADLM O=C(CCn1cc[nH+]c1)N1CCC[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001582088895 1281042015 /nfs/dbraw/zinc/04/20/15/1281042015.db2.gz NFRHTUVIGUZROW-GFCCVEGCSA-N -1 2 368.405 0.346 20 0 FCADLM O=C(Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1)c1c[n-]ncc1=O ZINC001582647725 1281838948 /nfs/dbraw/zinc/83/89/48/1281838948.db2.gz UBWPPSRKCAWCAN-UHFFFAOYSA-N -1 2 350.302 0.195 20 0 FCADLM CC(C)n1nccc1NC(=C(F)C(=O)[O-])c1c(O)[nH]c(=S)[nH]c1=O ZINC001604048270 1287561331 /nfs/dbraw/zinc/56/13/31/1287561331.db2.gz TYIKTKHVHROWHA-MRVPVSSYSA-N -1 2 355.351 0.084 20 0 FCADLM CN(C[C@@H]1CCCCN1C(=O)c1ccn[nH]1)c1ccnc(-c2nn[nH]n2)n1 ZINC001591124024 1284198470 /nfs/dbraw/zinc/19/84/70/1284198470.db2.gz QOMWXFWJEKJUKY-NSHDSACASA-N -1 2 368.405 0.511 20 0 FCADLM CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001604642835 1287705282 /nfs/dbraw/zinc/70/52/82/1287705282.db2.gz XJGJMVIYYNRUHC-ZDUSSCGKSA-N -1 2 368.405 0.271 20 0 FCADLM Cc1ncc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1C(=O)[O-] ZINC001600746013 1286536016 /nfs/dbraw/zinc/53/60/16/1286536016.db2.gz VNMPJIUFBTZARB-UHFFFAOYSA-N -1 2 367.387 0.480 20 0 FCADLM Cn1cc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1C(=O)[O-] ZINC001600969682 1286586066 /nfs/dbraw/zinc/58/60/66/1286586066.db2.gz LSGHTADJHJFNNO-JTQLQIEISA-N -1 2 354.388 0.757 20 0 FCADLM N=C1NC(=O)[C@H](CC(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)S1 ZINC001601178673 1286677392 /nfs/dbraw/zinc/67/73/92/1286677392.db2.gz VJKVGPVJKMNMBG-VQVTYTSYSA-N -1 2 353.322 0.654 20 0 FCADLM O=C([O-])[C@@H](Cn1cc[nH+]c1)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001601426256 1286745719 /nfs/dbraw/zinc/74/57/19/1286745719.db2.gz VUFCAGWCSGVPQC-GFCCVEGCSA-N -1 2 359.317 0.797 20 0 FCADLM O=C([O-])CN(CCC(F)(F)F)C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001602054222 1286913064 /nfs/dbraw/zinc/91/30/64/1286913064.db2.gz IZYNWIVAFXITFW-UHFFFAOYSA-N -1 2 374.275 0.745 20 0 FCADLM O=C([O-])COc1cccc(NC(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)c1 ZINC001602094126 1286934458 /nfs/dbraw/zinc/93/44/58/1286934458.db2.gz BKAHIZGOXWNVIA-UHFFFAOYSA-N -1 2 370.321 0.982 20 0 FCADLM O=C([O-])c1cc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])ccc1F ZINC001602292616 1286983421 /nfs/dbraw/zinc/98/34/21/1286983421.db2.gz AHLYOVSGXVCAFY-LLVKDONJSA-N -1 2 357.319 0.221 20 0 FCADLM O=C([O-])c1cc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])ccc1F ZINC001602292616 1286983435 /nfs/dbraw/zinc/98/34/35/1286983435.db2.gz AHLYOVSGXVCAFY-LLVKDONJSA-N -1 2 357.319 0.221 20 0 FCADLM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3[nH]c(=O)[nH]c3=O)cc1)C2 ZINC001602623683 1287037456 /nfs/dbraw/zinc/03/74/56/1287037456.db2.gz BSUFUUSAEJHELL-GTNSWQLSSA-N -1 2 358.354 0.593 20 0 FCADLM Cc1cc(OS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)ccc1-c1nn[nH]n1 ZINC001605749803 1288070932 /nfs/dbraw/zinc/07/09/32/1288070932.db2.gz HLVFYHNIMFITQL-LBPRGKRZSA-N -1 2 353.404 0.214 20 0 FCADLM COC(=O)CN(CC(=O)[O-])C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001606468206 1288331935 /nfs/dbraw/zinc/33/19/35/1288331935.db2.gz UNRLLXPRONNDJH-UHFFFAOYSA-N -1 2 367.745 0.931 20 0 FCADLM COc1c(NS(=O)(=O)c2cncc(C(=O)[O-])c2)cccc1C(N)=O ZINC001607051115 1288620216 /nfs/dbraw/zinc/62/02/16/1288620216.db2.gz WLUINMGQGPAATG-UHFFFAOYSA-N -1 2 351.340 0.688 20 0 FCADLM c1ccc(C[N@@H+]2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)c3)C2)cc1 ZINC001607128590 1288669671 /nfs/dbraw/zinc/66/96/71/1288669671.db2.gz CPGCBPLEBWWNQU-INIZCTEOSA-N -1 2 351.414 0.997 20 0 FCADLM c1ccc(C[N@H+]2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)c3)C2)cc1 ZINC001607128590 1288669676 /nfs/dbraw/zinc/66/96/76/1288669676.db2.gz CPGCBPLEBWWNQU-INIZCTEOSA-N -1 2 351.414 0.997 20 0 FCADLM COc1cc(OC)c(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)c(OC)c1 ZINC001607184488 1288680023 /nfs/dbraw/zinc/68/00/23/1288680023.db2.gz RDYAZONQIQZKNZ-UHFFFAOYSA-N -1 2 371.371 0.794 20 0 FCADLM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cn1 ZINC001608909694 1288878976 /nfs/dbraw/zinc/87/89/76/1288878976.db2.gz VHEPHVZSRYOIBB-QMMMGPOBSA-N -1 2 353.360 0.172 20 0 FCADLM COC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001610218489 1289430144 /nfs/dbraw/zinc/43/01/44/1289430144.db2.gz HGSWKHBORVATKS-UHFFFAOYSA-N -1 2 369.355 0.714 20 0 FCADLM Cc1[nH]c(C(=O)[C@@H](C)S(=O)(=O)Cc2cn(C)nn2)c(C)c1C(=O)[O-] ZINC001610400261 1289480612 /nfs/dbraw/zinc/48/06/12/1289480612.db2.gz XEAMKTVKLLEOKN-SECBINFHSA-N -1 2 354.388 0.644 20 0 FCADLM Cc1[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2cn(C)nn2)c(C)c1C(=O)[O-] ZINC001610400263 1289481190 /nfs/dbraw/zinc/48/11/90/1289481190.db2.gz XEAMKTVKLLEOKN-VIFPVBQESA-N -1 2 354.388 0.644 20 0 FCADLM Cc1ccc([C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(=O)[O-])cc1C ZINC001610494809 1289495475 /nfs/dbraw/zinc/49/54/75/1289495475.db2.gz WNNCSYDMRKWZSP-CQSZACIVSA-N -1 2 355.354 0.630 20 0 FCADLM O=C([O-])c1cc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc2[nH]ccc21 ZINC001610677305 1289549762 /nfs/dbraw/zinc/54/97/62/1289549762.db2.gz KSCFHSDRCUJIFP-UHFFFAOYSA-N -1 2 352.310 0.889 20 0 FCADLM O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001610775247 1289587203 /nfs/dbraw/zinc/58/72/03/1289587203.db2.gz LBJLUQFFEVTYBP-CYBMUJFWSA-N -1 2 358.391 0.711 20 0 FCADLM O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001610775247 1289587209 /nfs/dbraw/zinc/58/72/09/1289587209.db2.gz LBJLUQFFEVTYBP-CYBMUJFWSA-N -1 2 358.391 0.711 20 0 FCADLM COCCOC[N@@H+]1CCC2(CN(C(=O)c3[nH]c(=O)ccc3Cl)C2)C1 ZINC001275874457 861241080 /nfs/dbraw/zinc/24/10/80/861241080.db2.gz XVNCKVLLWGLBMP-UHFFFAOYSA-N -1 2 355.822 0.635 20 0 FCADLM CCOC(=O)C([N-]S(=O)(=O)Cc1cc(F)cc(F)c1)C(=O)OCC ZINC001185154242 851339270 /nfs/dbraw/zinc/33/92/70/851339270.db2.gz PWYHKINGTCIDPU-UHFFFAOYSA-N -1 2 365.354 0.879 20 0 FCADLM CSc1ncc(O)c(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)n1 ZINC001185186357 851341548 /nfs/dbraw/zinc/34/15/48/851341548.db2.gz OFZZYJYYHNADKD-UHFFFAOYSA-N -1 2 366.380 0.589 20 0 FCADLM CCOC(=O)C([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OCC ZINC001194110694 852539932 /nfs/dbraw/zinc/53/99/32/852539932.db2.gz UGFNUHRNELMNFZ-UHFFFAOYSA-N -1 2 370.383 0.742 20 0 FCADLM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 ZINC001229620070 857279206 /nfs/dbraw/zinc/27/92/06/857279206.db2.gz XSPKBCQHCWBOIJ-MNOVXSKESA-N -1 2 353.352 0.712 20 0 FCADLM COC(=O)[C@H](Cc1c[nH+]cn1C)NS(=O)(=O)CCc1ccccc1F ZINC001259790360 858283997 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YTVGCYPYJFNGRW-AGKHESDQSA-N -1 2 356.386 0.430 20 0 FCADLM C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CCc1c[nH+]cn1C ZINC001580297324 1278103805 /nfs/dbraw/zinc/10/38/05/1278103805.db2.gz KRBZANKGSZKUEO-JTQLQIEISA-N -1 2 373.396 0.684 20 0 FCADLM CN(C)c1nc([C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)cc(=O)[nH]1 ZINC001549756453 1267989700 /nfs/dbraw/zinc/98/97/00/1267989700.db2.gz RTIJNWBQHFBQFR-LLVKDONJSA-N -1 2 360.418 0.928 20 0 FCADLM CN(C)c1nc([C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)cc(=O)[nH]1 ZINC001549756457 1267990693 /nfs/dbraw/zinc/99/06/93/1267990693.db2.gz RTIJNWBQHFBQFR-NSHDSACASA-N -1 2 360.418 0.928 20 0 FCADLM Cc1n[nH]cc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001580517000 1278438233 /nfs/dbraw/zinc/43/82/33/1278438233.db2.gz OAGKJLGKHGODSG-SNVBAGLBSA-N -1 2 358.431 0.964 20 0 FCADLM Cc1c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)nnn1C ZINC001580542730 1278472529 /nfs/dbraw/zinc/47/25/29/1278472529.db2.gz JMDJLYPSELAJLP-SNVBAGLBSA-N -1 2 373.446 0.369 20 0 FCADLM Cc1c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)nnn1C ZINC001580542730 1278472532 /nfs/dbraw/zinc/47/25/32/1278472532.db2.gz JMDJLYPSELAJLP-SNVBAGLBSA-N -1 2 373.446 0.369 20 0 FCADLM CC1(C)C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001575655018 1272265674 /nfs/dbraw/zinc/26/56/74/1272265674.db2.gz LYICOSAJJYWGIH-TUAOUCFPSA-N -1 2 362.459 0.636 20 0 FCADLM CC[N@@H+](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)Cc1cc(C)n(C)n1 ZINC001578059796 1275354336 /nfs/dbraw/zinc/35/43/36/1275354336.db2.gz HNIJBBBSMJBXRV-UHFFFAOYSA-N -1 2 357.422 0.489 20 0 FCADLM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001578891486 1276425820 /nfs/dbraw/zinc/42/58/20/1276425820.db2.gz GMQOAJDWRDZVRG-HZMVEIRTSA-N -1 2 368.441 0.902 20 0 FCADLM Cn1cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001579260793 1277053931 /nfs/dbraw/zinc/05/39/31/1277053931.db2.gz IXIINOWUZJHQSC-CYBMUJFWSA-N -1 2 370.421 0.060 20 0 FCADLM CN(c1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579270096 1277067291 /nfs/dbraw/zinc/06/72/91/1277067291.db2.gz AEUHOJAXJZJMDE-CQSZACIVSA-N -1 2 367.417 0.655 20 0 FCADLM Cc1nc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)ccc1-c1nn[nH]n1 ZINC001581502644 1280052501 /nfs/dbraw/zinc/05/25/01/1280052501.db2.gz JREJWNNZIDWWMG-BXUZGUMPSA-N -1 2 367.417 0.937 20 0 FCADLM Cc1noc(C[N@H+](C)C[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581636379 1280301150 /nfs/dbraw/zinc/30/11/50/1280301150.db2.gz LHXYPDOJBXIMNS-LLVKDONJSA-N -1 2 371.405 0.480 20 0 FCADLM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1)Cn1cc[nH+]c1 ZINC001603551769 1287420907 /nfs/dbraw/zinc/42/09/07/1287420907.db2.gz FWWVWDZBCYQRCQ-JTQLQIEISA-N -1 2 365.394 0.817 20 0 FCADLM Cn1ccc(C[N@@H+]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)C2)n1 ZINC001581790745 1280518832 /nfs/dbraw/zinc/51/88/32/1280518832.db2.gz UUKRQJXCEOZJRR-AWEZNQCLSA-N -1 2 369.433 0.569 20 0 FCADLM C[C@@H](c1cnccn1)[N@@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001590053303 1283186948 /nfs/dbraw/zinc/18/69/48/1283186948.db2.gz JRVKMMWYCASLKJ-LBPRGKRZSA-N -1 2 367.417 0.894 20 0 FCADLM C[C@@H](c1cnccn1)[N@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001590053303 1283186951 /nfs/dbraw/zinc/18/69/51/1283186951.db2.gz JRVKMMWYCASLKJ-LBPRGKRZSA-N -1 2 367.417 0.894 20 0 FCADLM C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1CCO ZINC001590284208 1283411643 /nfs/dbraw/zinc/41/16/43/1283411643.db2.gz KEYUBUBGRKCBMW-CYBMUJFWSA-N -1 2 374.445 0.549 20 0 FCADLM COC(=O)c1coc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2nn[nH]n2)c1 ZINC001591308179 1284459814 /nfs/dbraw/zinc/45/98/14/1284459814.db2.gz XJVKXUCEKUETSA-UHFFFAOYSA-N -1 2 353.320 0.079 20 0 FCADLM COc1cc(-c2nn[nH]n2)ccc1NC(=O)N(C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001591491882 1284666433 /nfs/dbraw/zinc/66/64/33/1284666433.db2.gz MXPDYHQJALGZOA-HIFRSBDPSA-N -1 2 373.417 0.812 20 0 FCADLM COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+]3CCO[C@H]2C3)cc1-c1nn[nH]n1 ZINC001591609381 1284769870 /nfs/dbraw/zinc/76/98/70/1284769870.db2.gz SDMWZUFRLYSAGH-ZFWWWQNUSA-N -1 2 373.417 0.812 20 0 FCADLM COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+]3CCO[C@H]2C3)cc1-c1nn[nH]n1 ZINC001591609381 1284769877 /nfs/dbraw/zinc/76/98/77/1284769877.db2.gz SDMWZUFRLYSAGH-ZFWWWQNUSA-N -1 2 373.417 0.812 20 0 FCADLM O=C(C[C@H]1C=CCC1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001592809594 1285729658 /nfs/dbraw/zinc/72/96/58/1285729658.db2.gz NZZNJNPOSODBKZ-YUTCNCBUSA-N -1 2 374.470 0.946 20 0 FCADLM Cn1nnc(NS(=O)(=O)c2cc(Br)ccc2C(=O)[O-])n1 ZINC001601040757 1286619108 /nfs/dbraw/zinc/61/91/08/1286619108.db2.gz HUTHGQKZBYHPRT-UHFFFAOYSA-N -1 2 362.165 0.472 20 0 FCADLM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC001601810663 1286839436 /nfs/dbraw/zinc/83/94/36/1286839436.db2.gz VXCLZDLQAWSEIO-QWRGUYRKSA-N -1 2 358.420 0.663 20 0 FCADLM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC001601810664 1286839548 /nfs/dbraw/zinc/83/95/48/1286839548.db2.gz VXCLZDLQAWSEIO-WDEREUQCSA-N -1 2 358.420 0.663 20 0 FCADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)cn1 ZINC001602164851 1286955625 /nfs/dbraw/zinc/95/56/25/1286955625.db2.gz MODNFWRYUJOJRA-UHFFFAOYSA-N -1 2 356.751 0.465 20 0 FCADLM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(Cl)c1O ZINC001602199102 1286964514 /nfs/dbraw/zinc/96/45/14/1286964514.db2.gz FHAFETKOAFHTBI-XVKPBYJWSA-N -1 2 367.745 0.265 20 0 FCADLM O=C([O-])C(F)=C(NCc1ccc(Cl)cc1)c1c(=O)[nH]c(=S)[nH]c1O ZINC001602655550 1287052139 /nfs/dbraw/zinc/05/21/39/1287052139.db2.gz DOKOYTGMBRPSHL-SECBINFHSA-N -1 2 371.777 0.637 20 0 FCADLM COc1cc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc(Cl)c1O ZINC001605197280 1287909039 /nfs/dbraw/zinc/90/90/39/1287909039.db2.gz MFAMLFPGIUIIAJ-UHFFFAOYSA-N -1 2 364.753 0.256 20 0 FCADLM Cc1[nH]nc(C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)c1[O-] ZINC001609443932 1289153755 /nfs/dbraw/zinc/15/37/55/1289153755.db2.gz AWOCZYZTSOSBGC-UHFFFAOYSA-N -1 2 352.318 0.437 20 0 FCADLM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2cc(C(=O)[O-])nn2C)c1 ZINC001606042627 1288144967 /nfs/dbraw/zinc/14/49/67/1288144967.db2.gz RPQGZRFOYKBZIU-UHFFFAOYSA-N -1 2 368.371 0.327 20 0 FCADLM COC(=O)[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1cccs1 ZINC001606341175 1288264353 /nfs/dbraw/zinc/26/43/53/1288264353.db2.gz CMLBWGBCPXFKAG-VIFPVBQESA-N -1 2 359.385 0.670 20 0 FCADLM O=C(CCC1CC1)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001606508745 1288351591 /nfs/dbraw/zinc/35/15/91/1288351591.db2.gz HUNMQHGZOBMRKC-CVEARBPZSA-N -1 2 374.420 0.857 20 0 FCADLM COCc1nnc(CNS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)[nH]1 ZINC001606980606 1288580328 /nfs/dbraw/zinc/58/03/28/1288580328.db2.gz CKDAMKJEUNOHFP-UHFFFAOYSA-N -1 2 356.360 0.136 20 0 FCADLM COc1cc(C(=O)[O-])ccc1CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001607110988 1288667762 /nfs/dbraw/zinc/66/77/62/1288667762.db2.gz VHLMLKPBWSDAPU-UHFFFAOYSA-N -1 2 371.353 0.137 20 0 FCADLM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1 ZINC001607308551 1288698180 /nfs/dbraw/zinc/69/81/80/1288698180.db2.gz VFSDDHNYIFMWBZ-AWEZNQCLSA-N -1 2 371.353 0.364 20 0 FCADLM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001608373019 1288832120 /nfs/dbraw/zinc/83/21/20/1288832120.db2.gz DCKGLRMOUSFPQN-LBPRGKRZSA-N -1 2 360.301 0.449 20 0 FCADLM O=C([O-])[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001608459878 1288844794 /nfs/dbraw/zinc/84/47/94/1288844794.db2.gz WZNHRPKTVDTBPJ-JTQLQIEISA-N -1 2 371.396 0.119 20 0 FCADLM O=C([O-])C(F)=C(NCCCc1ccccc1)c1c(=O)[nH]c(=S)[nH]c1O ZINC001609044501 1288886677 /nfs/dbraw/zinc/88/66/77/1288886677.db2.gz RBHISIQGAKAJEN-NSHDSACASA-N -1 2 365.386 0.417 20 0 FCADLM O=C([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc2cn[nH]c21 ZINC001609560305 1289224935 /nfs/dbraw/zinc/22/49/35/1289224935.db2.gz GWHDGWAMQLQFGL-UHFFFAOYSA-N -1 2 369.366 0.862 20 0 FCADLM C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC001609635743 1289269851 /nfs/dbraw/zinc/26/98/51/1289269851.db2.gz FCFJBRZTQMCMHS-GFCCVEGCSA-N -1 2 354.428 0.744 20 0 FCADLM C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001609635743 1289269856 /nfs/dbraw/zinc/26/98/56/1289269856.db2.gz FCFJBRZTQMCMHS-GFCCVEGCSA-N -1 2 354.428 0.744 20 0 FCADLM CN1C(=O)c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cn3)cc2C1=O ZINC001610127942 1289382777 /nfs/dbraw/zinc/38/27/77/1289382777.db2.gz JAGHNBMUBPMVDP-UHFFFAOYSA-N -1 2 361.335 0.806 20 0 FCADLM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nn2)cc1NC(C)=O ZINC001610346304 1289466478 /nfs/dbraw/zinc/46/64/78/1289466478.db2.gz FIBGNHVPULMXOJ-UHFFFAOYSA-N -1 2 366.355 0.943 20 0 FCADLM O=C([O-])C1(CS(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CCCC1 ZINC001610727320 1289569779 /nfs/dbraw/zinc/56/97/79/1289569779.db2.gz JDCTXNDCUPURCB-SNVBAGLBSA-N -1 2 358.420 0.665 20 0 FCADLM O=C([O-])CC[NH+]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC001610779703 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370.413 0.519 20 0 FCADLM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)n1 ZINC001170382088 1201210338 /nfs/dbraw/zinc/21/03/38/1201210338.db2.gz CEZHVZWOOCSZFF-CYBMUJFWSA-N -1 2 369.385 0.867 20 0 FCADLM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3O)C2=O)c1 ZINC000813547168 1202998238 /nfs/dbraw/zinc/99/82/38/1202998238.db2.gz NKQBELKPSRABSF-INIZCTEOSA-N -1 2 359.342 0.544 20 0 FCADLM C[C@@]1(NC(=O)c2cnc[nH]c2=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000957146619 1213261768 /nfs/dbraw/zinc/26/17/68/1213261768.db2.gz YTVGCYPYJFNGRW-CZIZLABSSA-N -1 2 356.386 0.430 20 0 FCADLM O=C([O-])C[C@H](O)C(=O)Oc1cc(O)ccc1C(=O)c1ccc(O)cc1O ZINC001228119002 1225895641 /nfs/dbraw/zinc/89/56/41/1225895641.db2.gz ALMLNEKHDUXBOK-ZDUSSCGKSA-N -1 2 362.290 0.775 20 0 FCADLM CCC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001215303224 1223991413 /nfs/dbraw/zinc/99/14/13/1223991413.db2.gz ROUHNXQVMQVIFB-BPLDGKMQSA-N -1 2 361.446 0.774 20 0 FCADLM Cn1c(Cc2nn[nH]n2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001338271042 1260603856 /nfs/dbraw/zinc/60/38/56/1260603856.db2.gz DAJBIYUHDIMAOD-UHFFFAOYSA-N -1 2 373.852 0.895 20 0 FCADLM Cc1n[nH]cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001580516999 1278438218 /nfs/dbraw/zinc/43/82/18/1278438218.db2.gz OAGKJLGKHGODSG-JTQLQIEISA-N -1 2 358.431 0.964 20 0 FCADLM C[C@H](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1noc(C2CC2)n1 ZINC001574627414 1271423562 /nfs/dbraw/zinc/42/35/62/1271423562.db2.gz ODJJPFOHPJBAKI-SECBINFHSA-N -1 2 371.405 0.753 20 0 FCADLM O=C([O-])[C@H](COCc1ccccc1)NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001574806271 1271546024 /nfs/dbraw/zinc/54/60/24/1271546024.db2.gz ZEZMFHHSTYINCN-GJZGRUSLSA-N -1 2 369.439 0.988 20 0 FCADLM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001575492761 1272168648 /nfs/dbraw/zinc/16/86/48/1272168648.db2.gz CWLXQMQIFLSFCX-QMMMGPOBSA-N -1 2 357.330 0.152 20 0 FCADLM CCOC(=O)C[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC(C)C ZINC001578245370 1275548329 /nfs/dbraw/zinc/54/83/29/1275548329.db2.gz OMBJEBAIMVPTQZ-UHFFFAOYSA-N -1 2 374.405 0.636 20 0 FCADLM CCOC(=O)C[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC(C)C ZINC001578245370 1275548336 /nfs/dbraw/zinc/54/83/36/1275548336.db2.gz OMBJEBAIMVPTQZ-UHFFFAOYSA-N -1 2 374.405 0.636 20 0 FCADLM CCOCC[NH+]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001578377552 1275757754 /nfs/dbraw/zinc/75/77/54/1275757754.db2.gz WUPCSTPCOMVROJ-UHFFFAOYSA-N -1 2 365.463 0.792 20 0 FCADLM CCc1[nH+]ccn1CCNS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001578685641 1276142120 /nfs/dbraw/zinc/14/21/20/1276142120.db2.gz DCEGFZFZOGPQKD-UHFFFAOYSA-N -1 2 353.433 0.666 20 0 FCADLM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001578891488 1276426449 /nfs/dbraw/zinc/42/64/49/1276426449.db2.gz GMQOAJDWRDZVRG-YVSFHVDLSA-N -1 2 368.441 0.902 20 0 FCADLM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001578891488 1276426455 /nfs/dbraw/zinc/42/64/55/1276426455.db2.gz GMQOAJDWRDZVRG-YVSFHVDLSA-N -1 2 368.441 0.902 20 0 FCADLM CN(c1ccc(-c2nn[nH]n2)nc1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579270095 1277066698 /nfs/dbraw/zinc/06/66/98/1277066698.db2.gz AEUHOJAXJZJMDE-AWEZNQCLSA-N -1 2 367.417 0.655 20 0 FCADLM COCC1(C(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001579732304 1277845334 /nfs/dbraw/zinc/84/53/34/1277845334.db2.gz MPKUMAGVYFXYFC-UHFFFAOYSA-N -1 2 362.409 0.980 20 0 FCADLM Cn1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581790670 1280518237 /nfs/dbraw/zinc/51/82/37/1280518237.db2.gz RNJKQPGDURPKCK-MRXNPFEDSA-N -1 2 355.406 0.323 20 0 FCADLM O=C(CC1CC1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001581972720 1280823577 /nfs/dbraw/zinc/82/35/77/1280823577.db2.gz ZOCFNXBIXBZFHX-HUUCEWRRSA-N -1 2 360.393 0.467 20 0 FCADLM COc1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](c4nn[nH]n4)C3)n2)cc1 ZINC001588218171 1282408931 /nfs/dbraw/zinc/40/89/31/1282408931.db2.gz RXMVPCHJWGQSTO-SNVBAGLBSA-N -1 2 355.358 0.729 20 0 FCADLM CC(=O)c1ccc(O)c(CCOC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001588915843 1282728300 /nfs/dbraw/zinc/72/83/00/1282728300.db2.gz SFRBOSJUEAYFOV-VIFPVBQESA-N -1 2 371.357 0.713 20 0 FCADLM CN([C@H]1CN2CCC1CC2)S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001591036896 1284093794 /nfs/dbraw/zinc/09/37/94/1284093794.db2.gz FOUXEPQJAFAECI-JTQLQIEISA-N -1 2 354.461 0.643 20 0 FCADLM c1nc(-c2nn[nH]n2)nn1CC[NH2+]Cc1conc1Cc1ccccc1 ZINC001593574857 1286204170 /nfs/dbraw/zinc/20/41/70/1286204170.db2.gz LELPDCOXXJZMQY-UHFFFAOYSA-N -1 2 351.374 0.827 20 0 FCADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001600022239 1286425775 /nfs/dbraw/zinc/42/57/75/1286425775.db2.gz UAIFWCLIQGEUQQ-NSHDSACASA-N -1 2 371.346 0.530 20 0 FCADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001600022239 1286425779 /nfs/dbraw/zinc/42/57/79/1286425779.db2.gz UAIFWCLIQGEUQQ-NSHDSACASA-N -1 2 371.346 0.530 20 0 FCADLM Cc1nn(C)c(NS(=O)(=O)c2cc(C)cc(C(N)=O)c2)c1C(=O)[O-] ZINC001600145468 1286446823 /nfs/dbraw/zinc/44/68/23/1286446823.db2.gz ZPJMNLINSHWAOF-UHFFFAOYSA-N -1 2 352.372 0.635 20 0 FCADLM Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(C(=O)[O-])c1 ZINC001600478566 1286493825 /nfs/dbraw/zinc/49/38/25/1286493825.db2.gz AYHXJCLFFOLESF-LLVKDONJSA-N -1 2 353.356 0.391 20 0 FCADLM Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(C(=O)[O-])c1 ZINC001600478566 1286493827 /nfs/dbraw/zinc/49/38/27/1286493827.db2.gz AYHXJCLFFOLESF-LLVKDONJSA-N -1 2 353.356 0.391 20 0 FCADLM Cc1ncc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1C(=O)[O-] ZINC001600747287 1286536057 /nfs/dbraw/zinc/53/60/57/1286536057.db2.gz KFJJVPNZIIGCQA-UHFFFAOYSA-N -1 2 367.387 0.174 20 0 FCADLM NC(=O)CCc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC001601150614 1286657441 /nfs/dbraw/zinc/65/74/41/1286657441.db2.gz IVNICDYSRHXITQ-UHFFFAOYSA-N -1 2 352.372 0.186 20 0 FCADLM NS(=O)(=O)c1ccc(O)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001601200131 1286696024 /nfs/dbraw/zinc/69/60/24/1286696024.db2.gz WESGULRZSMYRCT-GFCCVEGCSA-N -1 2 362.363 0.868 20 0 FCADLM O=C([O-])C[C@H]1CN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CCO1 ZINC001601961986 1286885976 /nfs/dbraw/zinc/88/59/76/1286885976.db2.gz CRMQUIGDUBQOCZ-VIFPVBQESA-N -1 2 364.276 0.774 20 0 FCADLM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1 ZINC001602131700 1286944532 /nfs/dbraw/zinc/94/45/32/1286944532.db2.gz IGILUDAUNCRLJX-LBPRGKRZSA-N -1 2 353.356 0.011 20 0 FCADLM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001602131700 1286944541 /nfs/dbraw/zinc/94/45/41/1286944541.db2.gz IGILUDAUNCRLJX-LBPRGKRZSA-N -1 2 353.356 0.011 20 0 FCADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2nnc(CC3CCCC3)o2)cn1 ZINC001602164915 1286955354 /nfs/dbraw/zinc/95/53/54/1286955354.db2.gz PXEDNAFAWXSBEV-UHFFFAOYSA-N -1 2 355.376 0.884 20 0 FCADLM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1onc(C2CC2)c1Cl ZINC001602201202 1286967603 /nfs/dbraw/zinc/96/76/03/1286967603.db2.gz NSFGRAKGJLCQIU-GMSGAONNSA-N -1 2 350.780 0.973 20 0 FCADLM O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC001602274381 1286979983 /nfs/dbraw/zinc/97/99/83/1286979983.db2.gz MVZGPVSKFIFSJN-LLVKDONJSA-N -1 2 357.319 0.221 20 0 FCADLM O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC001602274381 1286979987 /nfs/dbraw/zinc/97/99/87/1286979987.db2.gz MVZGPVSKFIFSJN-LLVKDONJSA-N -1 2 357.319 0.221 20 0 FCADLM O=C([O-])c1ccccc1CS(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001602470094 1287005413 /nfs/dbraw/zinc/00/54/13/1287005413.db2.gz XFSJCIFPIREYHM-LBPRGKRZSA-N -1 2 353.356 0.223 20 0 FCADLM O=C([O-])c1ccccc1CS(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001602470094 1287005420 /nfs/dbraw/zinc/00/54/20/1287005420.db2.gz XFSJCIFPIREYHM-LBPRGKRZSA-N -1 2 353.356 0.223 20 0 FCADLM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC001602563866 1287027184 /nfs/dbraw/zinc/02/71/84/1287027184.db2.gz KDPTVYIYAKXGAF-ZETCQYMHSA-N -1 2 358.401 0.838 20 0 FCADLM C[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001603030135 1287191071 /nfs/dbraw/zinc/19/10/71/1287191071.db2.gz RFKOJLLWXCBUOZ-SECBINFHSA-N -1 2 351.334 0.239 20 0 FCADLM C[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001603030135 1287191075 /nfs/dbraw/zinc/19/10/75/1287191075.db2.gz RFKOJLLWXCBUOZ-SECBINFHSA-N -1 2 351.334 0.239 20 0 FCADLM Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001605986931 1288121161 /nfs/dbraw/zinc/12/11/61/1288121161.db2.gz ZRTFCPPLAVWYGW-PWSUYJOCSA-N -1 2 368.405 0.263 20 0 FCADLM Cc1cncn1CC(=O)N1C[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001605986931 1288121162 /nfs/dbraw/zinc/12/11/62/1288121162.db2.gz ZRTFCPPLAVWYGW-PWSUYJOCSA-N -1 2 368.405 0.263 20 0 FCADLM COc1cc(OC)c(C[N@H+](CCN2CC[NH+](C)CC2)CC(=O)[O-])cc1F ZINC001607183560 1288680333 /nfs/dbraw/zinc/68/03/33/1288680333.db2.gz PIOAUVQDRILPNQ-UHFFFAOYSA-N -1 2 369.437 0.977 20 0 FCADLM Cn1cc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1C(N)=O ZINC001608122260 1288774617 /nfs/dbraw/zinc/77/46/17/1288774617.db2.gz IWOZRWULBGIXOU-UHFFFAOYSA-N -1 2 370.412 0.957 20 0 FCADLM O=C([O-])CCCONC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC001608716293 1288868428 /nfs/dbraw/zinc/86/84/28/1288868428.db2.gz FYICGTVRJPQTCW-UHFFFAOYSA-N -1 2 357.413 0.902 20 0 FCADLM O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001608718465 1288869175 /nfs/dbraw/zinc/86/91/75/1288869175.db2.gz VQCZACCZULIPPY-UHFFFAOYSA-N -1 2 365.411 0.785 20 0 FCADLM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC001610121760 1289381176 /nfs/dbraw/zinc/38/11/76/1289381176.db2.gz GUMRDHFMZXKANA-NSHDSACASA-N -1 2 351.384 0.665 20 0 FCADLM CNC(=O)Oc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001610141293 1289394396 /nfs/dbraw/zinc/39/43/96/1289394396.db2.gz ZFIYSVSDFTZPJN-UHFFFAOYSA-N -1 2 354.344 0.487 20 0 FCADLM Cc1ccc(NC(=C(F)C(=O)[O-])c2c(O)[nH]c(=S)[nH]c2=O)cc1F ZINC001610504073 1289496546 /nfs/dbraw/zinc/49/65/46/1289496546.db2.gz GJSLKDREEXLYIZ-VIFPVBQESA-N -1 2 355.322 0.754 20 0 FCADLM O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)cc1 ZINC001610752184 1289578721 /nfs/dbraw/zinc/57/87/21/1289578721.db2.gz PLHZURYHJPCVIB-ZZXKWVIFSA-N -1 2 368.411 0.565 20 0 FCADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC001610810843 1289599675 /nfs/dbraw/zinc/59/96/75/1289599675.db2.gz PGPCNLDSTVXREZ-LLVKDONJSA-N -1 2 373.774 0.736 20 0 FCADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC001610810843 1289599683 /nfs/dbraw/zinc/59/96/83/1289599683.db2.gz PGPCNLDSTVXREZ-LLVKDONJSA-N -1 2 373.774 0.736 20 0 FCADLM COCCOCCOCCOCCNc1ccc([P@@](=O)([O-])O)cc1 ZINC001170479766 850655491 /nfs/dbraw/zinc/65/54/91/850655491.db2.gz TXNKTJKBPUUUDO-UHFFFAOYSA-N -1 2 363.347 0.598 20 0 FCADLM COCCOCCOCCOCCNc1ccc([P@](=O)([O-])O)cc1 ZINC001170479766 850655498 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CCn1cc(S(=O)(=O)Nc2ccc(OC)cc2S(=O)(=O)[O-])cn1 ZINC001259838440 858294547 /nfs/dbraw/zinc/29/45/47/858294547.db2.gz LACJWMNBLAIJLS-UHFFFAOYSA-N -1 2 361.401 0.959 20 0 FCADLM CN(CCO)c1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ncn1 ZINC001260184107 858351729 /nfs/dbraw/zinc/35/17/29/858351729.db2.gz SSZJXXSHNZXBMD-UHFFFAOYSA-N -1 2 352.372 0.404 20 0 FCADLM CCOC(=O)c1cc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n(C)n1 ZINC001260393285 858365895 /nfs/dbraw/zinc/36/58/95/858365895.db2.gz FCWTZKZFFUFSGM-UHFFFAOYSA-N -1 2 369.355 0.801 20 0 FCADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001324191935 869502115 /nfs/dbraw/zinc/50/21/15/869502115.db2.gz KWXZEUNPZBRJOS-UHFFFAOYSA-N -1 2 352.401 0.971 20 0 FCADLM C[C@@H]1[C@@H](C)[N@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)[C@@H](C)C(=O)N1C ZINC001575870015 949481811 /nfs/dbraw/zinc/48/18/11/949481811.db2.gz TWHIYGUIOISGRR-BBBLOLIVSA-N -1 2 371.405 0.055 20 0 FCADLM C[C@@H]1[C@@H](C)[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)[C@@H](C)C(=O)N1C 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O=C(NCCCn1cc[nH+]c1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000042898307 1211910779 /nfs/dbraw/zinc/91/07/79/1211910779.db2.gz ISUXGBHYRJBYOF-UHFFFAOYSA-N -1 2 369.385 0.809 20 0 FCADLM O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001221489608 1225331919 /nfs/dbraw/zinc/33/19/19/1225331919.db2.gz UUAUQGZLRMFXCH-CQSZACIVSA-N -1 2 371.445 0.836 20 0 FCADLM Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001151357824 1222923403 /nfs/dbraw/zinc/92/34/03/1222923403.db2.gz CWTGRNKYBVIEHD-HNNXBMFYSA-N -1 2 371.441 0.620 20 0 FCADLM Cc1nc(C)c(CC(=O)N[C@@H]2C[N@H+](Cc3nccn3C)C[C@H]2C)c(=O)[nH]1 ZINC001080931678 1256102316 /nfs/dbraw/zinc/10/23/16/1256102316.db2.gz FBHQNXLDRFTVJO-IAQYHMDHSA-N -1 2 358.446 0.712 20 0 FCADLM C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001580296988 1278104503 /nfs/dbraw/zinc/10/45/03/1278104503.db2.gz DCBOGCRKELNXLB-QMMMGPOBSA-N -1 2 361.797 0.798 20 0 FCADLM O=C([O-])[C@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1c1ccccc1 ZINC001549042453 1267793953 /nfs/dbraw/zinc/79/39/53/1267793953.db2.gz OHFWDGGDQFUWFS-KGLIPLIRSA-N -1 2 367.365 0.398 20 0 FCADLM CC(C)CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574210921 1271098931 /nfs/dbraw/zinc/09/89/31/1271098931.db2.gz XBLXMFBMORSNMS-LLVKDONJSA-N -1 2 374.449 0.017 20 0 FCADLM C[N@@H+](CC(=O)Nc1cccnn1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001579010695 1276585193 /nfs/dbraw/zinc/58/51/93/1276585193.db2.gz MNAZJXZKPBMDSW-ZDUSSCGKSA-N -1 2 354.374 0.261 20 0 FCADLM C[N@H+](CC(=O)Nc1cccnn1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001579010695 1276585205 /nfs/dbraw/zinc/58/52/05/1276585205.db2.gz MNAZJXZKPBMDSW-ZDUSSCGKSA-N -1 2 354.374 0.261 20 0 FCADLM C[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1)C[C@@H]1CCC[NH+](C)C1 ZINC001579351178 1277206794 /nfs/dbraw/zinc/20/67/94/1277206794.db2.gz OJXWNZZBFYWYMT-LLVKDONJSA-N -1 2 357.422 0.389 20 0 FCADLM C[N@H+](Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1)C[C@@H]1CCC[NH+](C)C1 ZINC001579351178 1277206797 /nfs/dbraw/zinc/20/67/97/1277206797.db2.gz OJXWNZZBFYWYMT-LLVKDONJSA-N -1 2 357.422 0.389 20 0 FCADLM Cc1csc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581385785 1279817103 /nfs/dbraw/zinc/81/71/03/1279817103.db2.gz IWUCCGOOGWLOSO-JTQLQIEISA-N -1 2 358.431 0.964 20 0 FCADLM Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)o1 ZINC001581609716 1280231413 /nfs/dbraw/zinc/23/14/13/1280231413.db2.gz MTSJMCSPMAXUEB-BXKDBHETSA-N -1 2 371.405 0.669 20 0 FCADLM Cn1ccc(C[N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581790669 1280518161 /nfs/dbraw/zinc/51/81/61/1280518161.db2.gz RNJKQPGDURPKCK-INIZCTEOSA-N -1 2 355.406 0.323 20 0 FCADLM O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582309191 1281308624 /nfs/dbraw/zinc/30/86/24/1281308624.db2.gz ZKJSDGUIQQWRNR-ZDUSSCGKSA-N -1 2 372.385 0.082 20 0 FCADLM C[C@H]1COCCN1CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001603946459 1287542360 /nfs/dbraw/zinc/54/23/60/1287542360.db2.gz BNNUDPJVUAQJDW-AWEZNQCLSA-N -1 2 358.450 0.104 20 0 FCADLM COC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2nn[nH]n2)o1 ZINC001591298739 1284453023 /nfs/dbraw/zinc/45/30/23/1284453023.db2.gz XUBIYCAPTXCOHV-UHFFFAOYSA-N -1 2 353.320 0.079 20 0 FCADLM COc1cc(C(=O)N(C)[C@@H]2CC[N@H+]3CCO[C@H]2C3)ccc1-c1nn[nH]n1 ZINC001591509772 1284698830 /nfs/dbraw/zinc/69/88/30/1284698830.db2.gz ZPVPIUWKNQYHNS-HIFRSBDPSA-N -1 2 358.402 0.420 20 0 FCADLM CSCC[C@H](NC(=O)c1ccsc1-c1nn[nH]n1)c1nnn[n-]1 ZINC001591701327 1284844107 /nfs/dbraw/zinc/84/41/07/1284844107.db2.gz MGCFNXBVNWEYKU-ZETCQYMHSA-N -1 2 351.421 0.666 20 0 FCADLM CSCC[C@H](NC(=O)c1ccsc1-c1nn[nH]n1)c1nn[n-]n1 ZINC001591701327 1284844113 /nfs/dbraw/zinc/84/41/13/1284844113.db2.gz MGCFNXBVNWEYKU-ZETCQYMHSA-N -1 2 351.421 0.666 20 0 FCADLM O=C(c1cccc(F)c1-c1nn[nH]n1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC001593349636 1286088025 /nfs/dbraw/zinc/08/80/25/1286088025.db2.gz AACPBZOKUQWACS-LBPRGKRZSA-N -1 2 360.393 0.943 20 0 FCADLM Cc1oc(CNC(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)cc1C(=O)[O-] ZINC001600851330 1286558081 /nfs/dbraw/zinc/55/80/81/1286558081.db2.gz RDYPOQNLBGJOER-UHFFFAOYSA-N -1 2 358.310 0.796 20 0 FCADLM O=C([O-])[C@@H](CNC(=O)Nc1nn[nH]c1C(=O)NC1CC1)c1ccccc1 ZINC001601455514 1286754994 /nfs/dbraw/zinc/75/49/94/1286754994.db2.gz NEZNTUHRRBCQFA-NSHDSACASA-N -1 2 358.358 0.687 20 0 FCADLM O=C([O-])[C@]1(CNC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CCOC1 ZINC001601473016 1286757738 /nfs/dbraw/zinc/75/77/38/1286757738.db2.gz QBDFXNCCSVCAHJ-ZDUSSCGKSA-N -1 2 364.276 0.679 20 0 FCADLM O=C([O-])C[C@]1(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CCOC1 ZINC001601932068 1286874502 /nfs/dbraw/zinc/87/45/02/1286874502.db2.gz JOJUYOUNIIENJO-CYBMUJFWSA-N -1 2 364.276 0.822 20 0 FCADLM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001602103596 1286937051 /nfs/dbraw/zinc/93/70/51/1286937051.db2.gz JBEUIUYTGNUASJ-GFCCVEGCSA-N -1 2 355.354 0.273 20 0 FCADLM O=C([O-])c1cn(-c2cccc(NS(=O)(=O)c3cnc4n3CCC4)c2)nn1 ZINC001602495872 1287014599 /nfs/dbraw/zinc/01/45/99/1287014599.db2.gz VDYBGWODBRHNPN-UHFFFAOYSA-N -1 2 374.382 0.909 20 0 FCADLM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC001602563865 1287027437 /nfs/dbraw/zinc/02/74/37/1287027437.db2.gz KDPTVYIYAKXGAF-SSDOTTSWSA-N -1 2 358.401 0.838 20 0 FCADLM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(-n3[nH]c(=O)[nH]c3=O)cc1)CC2 ZINC001602623651 1287037499 /nfs/dbraw/zinc/03/74/99/1287037499.db2.gz BHTIPPIZKSTWRE-PXAZEXFGSA-N -1 2 358.354 0.736 20 0 FCADLM O=C([O-])C(F)=C(Nc1ccc2cn[nH]c2c1)c1c(=O)[nH]c(=S)[nH]c1O ZINC001602656000 1287052978 /nfs/dbraw/zinc/05/29/78/1287052978.db2.gz JQBAYPWGQZLMCM-SECBINFHSA-N -1 2 363.330 0.183 20 0 FCADLM Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001609378180 1289130282 /nfs/dbraw/zinc/13/02/82/1289130282.db2.gz OCCVJYHQSMOXNL-KRWDZBQOSA-N -1 2 374.401 0.840 20 0 FCADLM COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@](CO)(OC)C1 ZINC001604910778 1287814429 /nfs/dbraw/zinc/81/44/29/1287814429.db2.gz AOMJAYPUQYULTQ-PBHICJAKSA-N -1 2 361.402 0.554 20 0 FCADLM CO[C@H](CS(=O)(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)C(C)C ZINC001605013256 1287836827 /nfs/dbraw/zinc/83/68/27/1287836827.db2.gz WVUIRCICYFPJGJ-SECBINFHSA-N -1 2 355.424 0.880 20 0 FCADLM COC(=O)[C@H](NS(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccn(C)n1 ZINC001606343300 1288266123 /nfs/dbraw/zinc/26/61/23/1288266123.db2.gz SZDXKJDHNKRIHP-SECBINFHSA-N -1 2 373.412 0.681 20 0 FCADLM COC(=O)c1cc(S(=O)(=O)Nc2c(C(=O)[O-])c(C)nn2C)cn1C ZINC001606570510 1288391410 /nfs/dbraw/zinc/39/14/10/1288391410.db2.gz PLLCNWDVIZXPKR-UHFFFAOYSA-N -1 2 356.360 0.353 20 0 FCADLM O=C(Cn1cc[nH+]c1)NCCC1(CNc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001606620550 1288412403 /nfs/dbraw/zinc/41/24/03/1288412403.db2.gz KCUQIIOYACYDIO-UHFFFAOYSA-N -1 2 368.405 0.252 20 0 FCADLM COCCOc1ccnc(NS(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC001606917297 1288562470 /nfs/dbraw/zinc/56/24/70/1288562470.db2.gz JQLLQIWQVSWVPN-UHFFFAOYSA-N -1 2 360.373 0.457 20 0 FCADLM COCc1nnc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[nH]1 ZINC001606982587 1288581283 /nfs/dbraw/zinc/58/12/83/1288581283.db2.gz YFBBOACCZVYMHG-UHFFFAOYSA-N -1 2 351.294 0.043 20 0 FCADLM Cn1cc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)cc1C(=O)[O-] ZINC001608122338 1288774952 /nfs/dbraw/zinc/77/49/52/1288774952.db2.gz PYBALNHKAROSIX-UHFFFAOYSA-N -1 2 353.282 0.678 20 0 FCADLM N=C1NC(=O)C(CC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)S1 ZINC001608250270 1288804103 /nfs/dbraw/zinc/80/41/03/1288804103.db2.gz ARGYWJISHNYQPC-XRGYYRRGSA-N -1 2 354.413 0.828 20 0 FCADLM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)ccc1F ZINC001608859323 1288876839 /nfs/dbraw/zinc/87/68/39/1288876839.db2.gz OGXKKGJDZDLCHF-QMMMGPOBSA-N -1 2 370.362 0.916 20 0 FCADLM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001609865893 1289316247 /nfs/dbraw/zinc/31/62/47/1289316247.db2.gz CURQBSWWDXKXLQ-MBNYWOFBSA-N -1 2 364.464 0.431 20 0 FCADLM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001609865893 1289316256 /nfs/dbraw/zinc/31/62/56/1289316256.db2.gz CURQBSWWDXKXLQ-MBNYWOFBSA-N -1 2 364.464 0.431 20 0 FCADLM COC(=O)c1[nH]cc(C(=O)[O-])c1NS(=O)(=O)c1c(C)nn(C)c1C ZINC001610194295 1289421120 /nfs/dbraw/zinc/42/11/20/1289421120.db2.gz PIXDCTORUGLCFS-UHFFFAOYSA-N -1 2 356.360 0.651 20 0 FCADLM NC(=O)Cn1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001610638792 1289536887 /nfs/dbraw/zinc/53/68/87/1289536887.db2.gz MLUYGJBPXCRFDT-UHFFFAOYSA-N -1 2 358.763 0.521 20 0 FCADLM Nc1cnnc(NNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1Cl ZINC001610648122 1289541452 /nfs/dbraw/zinc/54/14/52/1289541452.db2.gz HRACYEZCUROXPR-UHFFFAOYSA-N -1 2 361.742 0.855 20 0 FCADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001119061962 847698477 /nfs/dbraw/zinc/69/84/77/847698477.db2.gz YSNMCGILHBIMPQ-UWVGGRQHSA-N -1 2 362.370 0.422 20 0 FCADLM NS(=O)(=O)c1sc(Cl)cc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001175561684 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1225873414 /nfs/dbraw/zinc/87/34/14/1225873414.db2.gz YWGVSNRMUHBLDK-UHFFFAOYSA-N -1 2 360.389 0.841 20 0 FCADLM CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001155378754 1223034095 /nfs/dbraw/zinc/03/40/95/1223034095.db2.gz QKQZNFRYAJQEEH-VHDGCEQUSA-N -1 2 358.446 0.634 20 0 FCADLM Cc1nc(C)c(CC(=O)N[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)c(=O)[nH]1 ZINC001080931619 1256102411 /nfs/dbraw/zinc/10/24/11/1256102411.db2.gz AVDSFICBVDVEAT-MEBBXXQBSA-N -1 2 359.434 0.107 20 0 FCADLM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001573936460 1270946810 /nfs/dbraw/zinc/94/68/10/1270946810.db2.gz UGOUUZCKUZYLCL-UHFFFAOYSA-N -1 2 371.357 0.542 20 0 FCADLM CCCCc1noc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001577519937 1274466436 /nfs/dbraw/zinc/46/64/36/1274466436.db2.gz BTSGDTCHRVMLNW-SNVBAGLBSA-N -1 2 373.421 0.829 20 0 FCADLM CCCCc1noc(C[NH2+][C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001577520402 1274467027 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IXIINOWUZJHQSC-ZDUSSCGKSA-N -1 2 370.421 0.060 20 0 FCADLM O=C(CNc1ccc(-c2nn[nH]n2)cn1)N1CC(Oc2cc[nH+]cc2)C1 ZINC001582112519 1281064792 /nfs/dbraw/zinc/06/47/92/1281064792.db2.gz ARFIAYZOOXQJBC-UHFFFAOYSA-N -1 2 352.358 0.358 20 0 FCADLM O=S(=O)(NCc1[nH]c2c([nH+]1)CCCC2)c1ccccc1-c1nn[nH]n1 ZINC001582797120 1282018176 /nfs/dbraw/zinc/01/81/76/1282018176.db2.gz FMPMWJAWMBGQHY-UHFFFAOYSA-N -1 2 359.415 0.947 20 0 FCADLM O=S(=O)(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc(-c2nn[nH]n2)cn1 ZINC001582797169 1282019124 /nfs/dbraw/zinc/01/91/24/1282019124.db2.gz HLLRBIQLKWAHNO-UHFFFAOYSA-N -1 2 360.403 0.342 20 0 FCADLM CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001591036646 1284094297 /nfs/dbraw/zinc/09/42/97/1284094297.db2.gz AASSLNSMBUNXGY-JTQLQIEISA-N -1 2 354.461 0.785 20 0 FCADLM CN(C(=O)Cc1c[nH+]c[nH]1)[C@H](CNc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001604642834 1287703700 /nfs/dbraw/zinc/70/37/00/1287703700.db2.gz XJGJMVIYYNRUHC-CYBMUJFWSA-N -1 2 368.405 0.271 20 0 FCADLM COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC001591506358 1284692707 /nfs/dbraw/zinc/69/27/07/1284692707.db2.gz PFPLQPJUVTYCNJ-UHFFFAOYSA-N -1 2 366.447 0.590 20 0 FCADLM COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC001591506358 1284692715 /nfs/dbraw/zinc/69/27/15/1284692715.db2.gz PFPLQPJUVTYCNJ-UHFFFAOYSA-N -1 2 366.447 0.590 20 0 FCADLM Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001591785651 1284902648 /nfs/dbraw/zinc/90/26/48/1284902648.db2.gz SOFABFFJUSRXTM-MRVPVSSYSA-N -1 2 362.390 0.696 20 0 FCADLM Cc1cc(C(N)=O)cc(S(=O)(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC001600144921 1286446910 /nfs/dbraw/zinc/44/69/10/1286446910.db2.gz AUWHNCVSIWZDSE-UHFFFAOYSA-N -1 2 366.399 0.911 20 0 FCADLM Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)sc1C(=O)[O-] ZINC001600717649 1286531446 /nfs/dbraw/zinc/53/14/46/1286531446.db2.gz KCTYHSKWLGUFMV-UHFFFAOYSA-N -1 2 371.462 0.173 20 0 FCADLM Cc1nn2cc(S(=O)(=O)Nc3ncn(CC(=O)[O-])n3)cnc2c1Cl ZINC001600790849 1286545800 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USORYAHITZBPOG-LLVKDONJSA-N -1 2 357.319 0.221 20 0 FCADLM O=C([O-])c1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1F ZINC001602398670 1286996195 /nfs/dbraw/zinc/99/61/95/1286996195.db2.gz USORYAHITZBPOG-LLVKDONJSA-N -1 2 357.319 0.221 20 0 FCADLM O=C([O-])c1ccccc1CS(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001602470093 1287005623 /nfs/dbraw/zinc/00/56/23/1287005623.db2.gz XFSJCIFPIREYHM-GFCCVEGCSA-N -1 2 353.356 0.223 20 0 FCADLM O=C([O-])c1ccccc1CS(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001602470093 1287005631 /nfs/dbraw/zinc/00/56/31/1287005631.db2.gz XFSJCIFPIREYHM-GFCCVEGCSA-N -1 2 353.356 0.223 20 0 FCADLM O=C([O-])c1nc(N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc[nH+]1 ZINC001602575383 1287029101 /nfs/dbraw/zinc/02/91/01/1287029101.db2.gz WEQAFVOJXWSYJW-YPMHNXCESA-N -1 2 356.338 0.435 20 0 FCADLM O=C([O-])c1nc(N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc[nH+]1 ZINC001602575382 1287030038 /nfs/dbraw/zinc/03/00/38/1287030038.db2.gz WEQAFVOJXWSYJW-WCQYABFASA-N -1 2 356.338 0.435 20 0 FCADLM CCc1ccccc1NC(=C(F)C(=O)[O-])c1c(O)[nH]c(=S)[nH]c1=O ZINC001605834669 1288096607 /nfs/dbraw/zinc/09/66/07/1288096607.db2.gz HZJNWKPAYVBIGD-JTQLQIEISA-N -1 2 351.359 0.869 20 0 FCADLM Cc1n[nH]c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1-c1nn[nH]n1 ZINC001606014053 1288129649 /nfs/dbraw/zinc/12/96/49/1288129649.db2.gz NRVOQASXBYOKQQ-ZETCQYMHSA-N -1 2 363.407 0.793 20 0 FCADLM O=C([O-])[C@@H](CCF)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001606960906 1288576525 /nfs/dbraw/zinc/57/65/25/1288576525.db2.gz UYJJFJNFDSFMRN-MRVPVSSYSA-N -1 2 365.293 0.236 20 0 FCADLM N=C1NC(=O)[C@H](CC(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])S1 ZINC001608250918 1288804439 /nfs/dbraw/zinc/80/44/39/1288804439.db2.gz PHMGGMCPUXFDON-UWVGGRQHSA-N -1 2 355.347 0.330 20 0 FCADLM NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001608263916 1288809425 /nfs/dbraw/zinc/80/94/25/1288809425.db2.gz GZAXOHVLUSKFAJ-UHFFFAOYSA-N -1 2 374.371 0.972 20 0 FCADLM O=C([O-])[C@@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CCCCCC1 ZINC001608373253 1288832242 /nfs/dbraw/zinc/83/22/42/1288832242.db2.gz KXIAPQOTELJPRD-LBPRGKRZSA-N -1 2 361.402 0.859 20 0 FCADLM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609070646 1288900552 /nfs/dbraw/zinc/90/05/52/1288900552.db2.gz SPEIUTHKJJCGRV-QMMMGPOBSA-N -1 2 366.345 0.754 20 0 FCADLM COC(=O)c1cnc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC001610218928 1289429933 /nfs/dbraw/zinc/42/99/33/1289429933.db2.gz MLSBVFHFKGTFKE-UHFFFAOYSA-N -1 2 351.340 0.903 20 0 FCADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCC(=O)[O-])CC1 ZINC001610418148 1289483096 /nfs/dbraw/zinc/48/30/96/1289483096.db2.gz UUJTVQGDYZADCW-UHFFFAOYSA-N -1 2 374.390 0.613 20 0 FCADLM O=C([O-])C1(CS(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CCCC1 ZINC001610727416 1289569305 /nfs/dbraw/zinc/56/93/05/1289569305.db2.gz MAFMNPFUFRLNPV-UHFFFAOYSA-N -1 2 358.420 0.665 20 0 FCADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001610873116 1289615190 /nfs/dbraw/zinc/61/51/90/1289615190.db2.gz OKLHKVTUIASMHX-UHFFFAOYSA-N -1 2 352.353 0.879 20 0 FCADLM CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3nn[nH]n3)CC2)C1 ZINC001174940515 850749911 /nfs/dbraw/zinc/74/99/11/850749911.db2.gz FCSDSHRHMKHYIE-CYBMUJFWSA-N -1 2 350.423 0.181 20 0 FCADLM CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC(c3nn[n-]n3)CC2)C1 ZINC001174940515 850749915 /nfs/dbraw/zinc/74/99/15/850749915.db2.gz FCSDSHRHMKHYIE-CYBMUJFWSA-N -1 2 350.423 0.181 20 0 FCADLM CC(=O)c1nn(C)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192684861 852275562 /nfs/dbraw/zinc/27/55/62/852275562.db2.gz DGKDSOWMXXHNJK-UHFFFAOYSA-N -1 2 353.356 0.887 20 0 FCADLM CC(=O)Nc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ncn1 ZINC001192685928 852275579 /nfs/dbraw/zinc/27/55/79/852275579.db2.gz ICLQORCYFCEOSE-UHFFFAOYSA-N -1 2 366.355 0.699 20 0 FCADLM NC(=O)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)Cc2ccccn2)c1 ZINC001197828980 853169246 /nfs/dbraw/zinc/16/92/46/853169246.db2.gz ANKCYDAFSYGTRT-UHFFFAOYSA-N -1 2 371.396 0.996 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ZINC000738567405 600151915 /nfs/dbraw/zinc/15/19/15/600151915.db2.gz XIXAAIGXDFMNIA-GFCCVEGCSA-N -1 2 359.317 0.543 20 0 FCADLM Cc1ccc([C@H](CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(=O)[O-])cc1 ZINC000738562489 600161273 /nfs/dbraw/zinc/16/12/73/600161273.db2.gz WQXMHMWMLHKQAP-LBPRGKRZSA-N -1 2 355.354 0.364 20 0 FCADLM CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000737360218 600529752 /nfs/dbraw/zinc/52/97/52/600529752.db2.gz GSYYLOCXVLUMJE-UHFFFAOYSA-N -1 2 352.372 0.470 20 0 FCADLM CC(=O)N1CCc2cc(S(=O)(=O)Nc3cnn(CC(=O)[O-])c3)ccc21 ZINC000392239867 600530934 /nfs/dbraw/zinc/53/09/34/600530934.db2.gz ZSXDSBSACJAPCS-UHFFFAOYSA-N -1 2 364.383 0.678 20 0 FCADLM CC(=O)NCCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000736152542 600530987 /nfs/dbraw/zinc/53/09/87/600530987.db2.gz NVPAQOBCIOEBLP-UHFFFAOYSA-N -1 2 366.399 0.447 20 0 FCADLM CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000324761025 600576042 /nfs/dbraw/zinc/57/60/42/600576042.db2.gz YMLFTFVFIHJJKP-UHFFFAOYSA-N -1 2 371.396 0.489 20 0 FCADLM COCC(=O)Nc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000326876938 600672893 /nfs/dbraw/zinc/67/28/93/600672893.db2.gz FQEFDSSLCIUULJ-UHFFFAOYSA-N -1 2 368.371 0.353 20 0 FCADLM CCOc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1CO ZINC000324229844 600673289 /nfs/dbraw/zinc/67/32/89/600673289.db2.gz UUTFDRYUQMFIGC-UHFFFAOYSA-N -1 2 355.372 0.660 20 0 FCADLM CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000327005450 600675744 /nfs/dbraw/zinc/67/57/44/600675744.db2.gz PTVSHYXHSXUEQQ-UHFFFAOYSA-N -1 2 366.399 0.399 20 0 FCADLM CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000832676501 600679045 /nfs/dbraw/zinc/67/90/45/600679045.db2.gz SYLFATJSNCGKOX-UHFFFAOYSA-N -1 2 373.412 0.313 20 0 FCADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)cn1 ZINC000833274023 600679391 /nfs/dbraw/zinc/67/93/91/600679391.db2.gz MIQAEDOFGOPTGI-UHFFFAOYSA-N -1 2 362.371 0.408 20 0 FCADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(Cn3cncn3)c2)cn1 ZINC000327382217 600715380 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COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000831123694 601361580 /nfs/dbraw/zinc/36/15/80/601361580.db2.gz BGHXHXYAKAZPJA-DAXSKMNVSA-N -1 2 366.355 0.350 20 0 FCADLM CO[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941548617 666640790 /nfs/dbraw/zinc/64/07/90/666640790.db2.gz OALLSNIMWNHZKU-XSSZXYGBSA-N -1 2 368.287 0.280 20 0 FCADLM C[C@H](CN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1nn[nH]n1 ZINC000758798406 667784804 /nfs/dbraw/zinc/78/48/04/667784804.db2.gz WKQJVPHJFIHONW-MRVPVSSYSA-N -1 2 359.415 0.611 20 0 FCADLM O=C([N-]Cc1cocn1)C(F)(F)C(F)(F)C(=O)NCc1cocn1 ZINC000742650571 668039607 /nfs/dbraw/zinc/03/96/07/668039607.db2.gz UQDXYFAKWGRZRJ-UHFFFAOYSA-N -1 2 350.228 0.866 20 0 FCADLM COC(=O)c1nc(Cl)ccc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000774622742 668163048 /nfs/dbraw/zinc/16/30/48/668163048.db2.gz ULGFKKYJPQXLNB-UHFFFAOYSA-N -1 2 374.762 0.754 20 0 FCADLM COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc(Cl)c2O)CC1=O ZINC000820854099 669135345 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QWXBUOKOWLZBFP-SFYZADRCSA-N -1 2 359.346 0.145 20 0 FCADLM C[C@@H]1[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001088978492 1196854395 /nfs/dbraw/zinc/85/43/95/1196854395.db2.gz QWXBUOKOWLZBFP-SFYZADRCSA-N -1 2 359.346 0.145 20 0 FCADLM Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc3c(cc1O)OCO3)C2 ZINC000816564098 1203072299 /nfs/dbraw/zinc/07/22/99/1203072299.db2.gz UIPNYDRPXJUJRW-LLVKDONJSA-N -1 2 359.382 0.905 20 0 FCADLM Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1=O ZINC001273701584 1208024615 /nfs/dbraw/zinc/02/46/15/1208024615.db2.gz GPYWDQVGMKRWKZ-GOSISDBHSA-N -1 2 355.398 0.786 20 0 FCADLM C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1ncccc1-c1nn[nH]n1 ZINC001580379751 1278193288 /nfs/dbraw/zinc/19/32/88/1278193288.db2.gz SREFAGABIZTORS-RISCZKNCSA-N -1 2 367.417 0.321 20 0 FCADLM Cc1n[nH]cc1C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001580516791 1278438869 /nfs/dbraw/zinc/43/88/69/1278438869.db2.gz MYYAMHSTLJKQNY-UHFFFAOYSA-N -1 2 358.381 0.899 20 0 FCADLM CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576653417 1273509249 /nfs/dbraw/zinc/50/92/49/1273509249.db2.gz ZHFGMWKZCPNUIJ-SECBINFHSA-N -1 2 360.378 0.389 20 0 FCADLM CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576653417 1273509253 /nfs/dbraw/zinc/50/92/53/1273509253.db2.gz ZHFGMWKZCPNUIJ-SECBINFHSA-N -1 2 360.378 0.389 20 0 FCADLM CCCCc1noc(C[NH2+][C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001577520403 1274466356 /nfs/dbraw/zinc/46/63/56/1274466356.db2.gz UMUPPKMEQMEZHU-SNVBAGLBSA-N -1 2 373.421 0.829 20 0 FCADLM CCC[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1cnnn1CC ZINC001577625597 1274606838 /nfs/dbraw/zinc/60/68/38/1274606838.db2.gz AACXFRQVNAMGOD-UHFFFAOYSA-N -1 2 372.437 0.448 20 0 FCADLM CCC[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1cnnn1CC ZINC001577625597 1274606842 /nfs/dbraw/zinc/60/68/42/1274606842.db2.gz AACXFRQVNAMGOD-UHFFFAOYSA-N -1 2 372.437 0.448 20 0 FCADLM CCC[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H](C)C(=O)OCC ZINC001577660059 1274672912 /nfs/dbraw/zinc/67/29/12/1274672912.db2.gz VGMXSSDFDLXHKY-SNVBAGLBSA-N -1 2 374.405 0.779 20 0 FCADLM CCC[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H](C)C(=O)OCC ZINC001577660059 1274672924 /nfs/dbraw/zinc/67/29/24/1274672924.db2.gz VGMXSSDFDLXHKY-SNVBAGLBSA-N -1 2 374.405 0.779 20 0 FCADLM CN(C(=O)CCc1cn[nH]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578874902 1276402114 /nfs/dbraw/zinc/40/21/14/1276402114.db2.gz OHRZJJGZKKCQLT-UHFFFAOYSA-N -1 2 366.429 0.865 20 0 FCADLM Cc1nc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)ccc1-c1nn[nH]n1 ZINC001581502704 1280053138 /nfs/dbraw/zinc/05/31/38/1280053138.db2.gz JREJWNNZIDWWMG-SMDDNHRTSA-N -1 2 367.417 0.937 20 0 FCADLM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1)Cn1cc[nH+]c1 ZINC001603551770 1287420874 /nfs/dbraw/zinc/42/08/74/1287420874.db2.gz FWWVWDZBCYQRCQ-SNVBAGLBSA-N -1 2 365.394 0.817 20 0 FCADLM 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/nfs/dbraw/zinc/15/18/93/1251151893.db2.gz ZTRVQVCRDUAWLQ-UKTARXLSSA-N -1 2 363.462 0.872 20 0 FCADLM Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001077793302 1254997078 /nfs/dbraw/zinc/99/70/78/1254997078.db2.gz APOZOODTOKSZNT-HUUCEWRRSA-N -1 2 370.413 0.133 20 0 FCADLM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001318314512 1263561419 /nfs/dbraw/zinc/56/14/19/1263561419.db2.gz RPTYYWSEGXXVRP-UHFFFAOYSA-N -1 2 371.382 0.440 20 0 FCADLM CC(C)CNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574210924 1271100079 /nfs/dbraw/zinc/10/00/79/1271100079.db2.gz XBLXMFBMORSNMS-NSHDSACASA-N -1 2 374.449 0.017 20 0 FCADLM CCCCc1noc(C[NH2+][C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001577519952 1274466482 /nfs/dbraw/zinc/46/64/82/1274466482.db2.gz CGNVNBHMWDVOOS-JTQLQIEISA-N -1 2 373.421 0.829 20 0 FCADLM CCCN(C(=O)c1cc[nH]n1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577540967 1274482101 /nfs/dbraw/zinc/48/21/01/1274482101.db2.gz LBCAWFZTICYYPQ-NSHDSACASA-N -1 2 368.405 0.511 20 0 FCADLM CCCN(C(=O)c1ccn[nH]1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577540967 1274482104 /nfs/dbraw/zinc/48/21/04/1274482104.db2.gz LBCAWFZTICYYPQ-NSHDSACASA-N -1 2 368.405 0.511 20 0 FCADLM CCC[N@H+](CC(=O)OCC)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001577575925 1274542960 /nfs/dbraw/zinc/54/29/60/1274542960.db2.gz HGPLNHHIPVHJHC-UHFFFAOYSA-N -1 2 360.378 0.390 20 0 FCADLM CCC[N@@H+](CC(=O)OCC)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001577575925 1274542962 /nfs/dbraw/zinc/54/29/62/1274542962.db2.gz HGPLNHHIPVHJHC-UHFFFAOYSA-N -1 2 360.378 0.390 20 0 FCADLM CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001577681672 1274728189 /nfs/dbraw/zinc/72/81/89/1274728189.db2.gz CKVBQLROORQZOJ-GFCCVEGCSA-N -1 2 374.449 0.305 20 0 FCADLM COC(=O)[C@H](C)[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001579431463 1277299089 /nfs/dbraw/zinc/29/90/89/1277299089.db2.gz CRKSZDPZXRFLRV-VIFPVBQESA-N -1 2 372.389 0.531 20 0 FCADLM COC(=O)[C@H](C)[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001579431463 1277299096 /nfs/dbraw/zinc/29/90/96/1277299096.db2.gz CRKSZDPZXRFLRV-VIFPVBQESA-N -1 2 372.389 0.531 20 0 FCADLM Cc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC001581411150 1279878315 /nfs/dbraw/zinc/87/83/15/1279878315.db2.gz NEUHVILIJKNOEY-XCBNKYQSSA-N -1 2 370.339 0.858 20 0 FCADLM C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)Cn1cc[nH+]c1 ZINC001603552176 1287420215 /nfs/dbraw/zinc/42/02/15/1287420215.db2.gz SMYSYLTUTSEPOL-JTQLQIEISA-N -1 2 365.394 0.817 20 0 FCADLM O=C(CCn1cc[nH+]c1)NC1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001582088838 1281042381 /nfs/dbraw/zinc/04/23/81/1281042381.db2.gz LLYZZTRIXNXBCB-UHFFFAOYSA-N -1 2 367.417 0.634 20 0 FCADLM O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(F)F ZINC001593276491 1286059274 /nfs/dbraw/zinc/05/92/74/1286059274.db2.gz KYDSTDJGLIQIHZ-RXMQYKEDSA-N -1 2 351.291 0.094 20 0 FCADLM Cc1c(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cnn1CC(=O)[O-] ZINC001600055154 1286433893 /nfs/dbraw/zinc/43/38/93/1286433893.db2.gz XKPTUJAHQCAQNH-UHFFFAOYSA-N -1 2 369.403 0.625 20 0 FCADLM Cc1c(S(=O)(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)cnn1C ZINC001600058367 1286434027 /nfs/dbraw/zinc/43/40/27/1286434027.db2.gz SBQGZUPAHHVJNR-UHFFFAOYSA-N -1 2 366.399 0.273 20 0 FCADLM Cc1ncc(S(=O)(=O)Nc2ccc(-n3cncn3)cn2)cc1C(=O)[O-] ZINC001600747236 1286536481 /nfs/dbraw/zinc/53/64/81/1286536481.db2.gz RDGOHLQDXBJPCF-UHFFFAOYSA-N -1 2 360.355 0.865 20 0 FCADLM Cc1ncc(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1C(=O)[O-] ZINC001600747093 1286536591 /nfs/dbraw/zinc/53/65/91/1286536591.db2.gz HNVIWBWHAHOSLR-UHFFFAOYSA-N -1 2 360.355 0.865 20 0 FCADLM Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(CC(=O)[O-])n3)ccc21 ZINC001600897549 1286565127 /nfs/dbraw/zinc/56/51/27/1286565127.db2.gz DGXKRGAKHIJJLI-UHFFFAOYSA-N -1 2 363.351 0.954 20 0 FCADLM Cn1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1C(=O)[O-] ZINC001600966872 1286583291 /nfs/dbraw/zinc/58/32/91/1286583291.db2.gz KJJACQMQVBGLSO-UHFFFAOYSA-N -1 2 355.376 0.115 20 0 FCADLM Cn1nc(C(F)(F)F)cc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001601007774 1286596249 /nfs/dbraw/zinc/59/62/49/1286596249.db2.gz CODSGTMHPVLHCB-UHFFFAOYSA-N -1 2 353.282 0.521 20 0 FCADLM Nc1cnnc(NNS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1Cl ZINC001601219095 1286701398 /nfs/dbraw/zinc/70/13/98/1286701398.db2.gz WBHOEBOKBHPGAQ-UHFFFAOYSA-N -1 2 361.742 0.855 20 0 FCADLM O=C([O-])[C@H](Cn1cc[nH+]c1)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001601426257 1286745022 /nfs/dbraw/zinc/74/50/22/1286745022.db2.gz VUFCAGWCSGVPQC-LBPRGKRZSA-N -1 2 359.317 0.797 20 0 FCADLM COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001609327171 1289100341 /nfs/dbraw/zinc/10/03/41/1289100341.db2.gz AGXPXIQDOJMKTA-QWRGUYRKSA-N -1 2 365.463 0.686 20 0 FCADLM O=C([O-])CC[NH+]1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001602012635 1286898488 /nfs/dbraw/zinc/89/84/88/1286898488.db2.gz KXCYIKIOLMMPKK-UHFFFAOYSA-N -1 2 356.400 0.095 20 0 FCADLM O=C([O-])CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC001602013490 1286898606 /nfs/dbraw/zinc/89/86/06/1286898606.db2.gz QPRKMNLLJOEFME-UHFFFAOYSA-N -1 2 360.363 0.305 20 0 FCADLM O=C([O-])Cc1cccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC001602141309 1286947480 /nfs/dbraw/zinc/94/74/80/1286947480.db2.gz CXMFGQXMIXTBPT-UHFFFAOYSA-N -1 2 366.399 0.706 20 0 FCADLM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC001602273337 1286980021 /nfs/dbraw/zinc/98/00/21/1286980021.db2.gz RCYVOUHBOMSTOW-MRVPVSSYSA-N -1 2 370.362 0.916 20 0 FCADLM O=C([O-])c1ccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC001602395011 1286994574 /nfs/dbraw/zinc/99/45/74/1286994574.db2.gz IQNIUAFKYUWLKF-UHFFFAOYSA-N -1 2 352.372 0.777 20 0 FCADLM O=C([O-])C(F)=C(NCc1ccc(Cl)cc1)c1c(=O)[nH]c(=S)[nH]c1O ZINC001602655551 1287052776 /nfs/dbraw/zinc/05/27/76/1287052776.db2.gz DOKOYTGMBRPSHL-VIFPVBQESA-N -1 2 371.777 0.637 20 0 FCADLM O=C(NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)c1cnco1 ZINC001606747025 1288486872 /nfs/dbraw/zinc/48/68/72/1288486872.db2.gz URBOYBVVPVMYQV-CYBMUJFWSA-N -1 2 369.385 0.486 20 0 FCADLM Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1S(C)(=O)=O ZINC001607810891 1288739933 /nfs/dbraw/zinc/73/99/33/1288739933.db2.gz WLDVURMJGXPYLA-UHFFFAOYSA-N -1 2 373.412 0.480 20 0 FCADLM Cc1[nH]nc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)c1C(=O)[O-] ZINC001607938640 1288749985 /nfs/dbraw/zinc/74/99/85/1288749985.db2.gz SJXICRHFGYZJLA-UHFFFAOYSA-N -1 2 354.270 0.371 20 0 FCADLM O=C([O-])c1nc(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)ccc1Cl ZINC001608373047 1288832442 /nfs/dbraw/zinc/83/24/42/1288832442.db2.gz FRBARTKLQNRBPH-UHFFFAOYSA-N -1 2 362.733 0.134 20 0 FCADLM O=C([O-])c1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)ccc1F ZINC001608858389 1288875687 /nfs/dbraw/zinc/87/56/87/1288875687.db2.gz JMGJQBQDTHJQBO-UHFFFAOYSA-N -1 2 370.362 0.916 20 0 FCADLM C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609763550 1289293713 /nfs/dbraw/zinc/29/37/13/1289293713.db2.gz PWZSMIAQAUMRCM-AAEUAGOBSA-N -1 2 369.381 0.519 20 0 FCADLM O=C([O-])c1cncc(S(=O)(=O)Nc2ccc(N3CCOCC3)cn2)c1 ZINC001610864358 1289612322 /nfs/dbraw/zinc/61/23/22/1289612322.db2.gz NDYNEFGFQSWDBJ-UHFFFAOYSA-N -1 2 364.383 0.812 20 0 FCADLM O=C([O-])c1sccc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001610876294 1289615106 /nfs/dbraw/zinc/61/51/06/1289615106.db2.gz JJABEMFYQTUHNU-ZETCQYMHSA-N -1 2 358.401 0.838 20 0 FCADLM CSc1n[nH]c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)c1C(N)=O ZINC001148916740 849620667 /nfs/dbraw/zinc/62/06/67/849620667.db2.gz DWWUXMJTVRFBKF-UHFFFAOYSA-N -1 2 372.384 0.435 20 0 FCADLM CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC(c3nn[nH]n3)CC2)C1 ZINC001174940516 850749369 /nfs/dbraw/zinc/74/93/69/850749369.db2.gz FCSDSHRHMKHYIE-ZDUSSCGKSA-N -1 2 350.423 0.181 20 0 FCADLM CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC(c3nn[n-]n3)CC2)C1 ZINC001174940516 850749371 /nfs/dbraw/zinc/74/93/71/850749371.db2.gz FCSDSHRHMKHYIE-ZDUSSCGKSA-N -1 2 350.423 0.181 20 0 FCADLM CCOC(=O)C(NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)OCC ZINC001198798342 853321810 /nfs/dbraw/zinc/32/18/10/853321810.db2.gz WXLBDBKIFAKWIC-UHFFFAOYSA-N -1 2 359.356 0.158 20 0 FCADLM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccn1 ZINC001260209232 858353985 /nfs/dbraw/zinc/35/39/85/858353985.db2.gz PZFKMOHIFSHZNA-UHFFFAOYSA-N -1 2 354.315 0.928 20 0 FCADLM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574958087 949652246 /nfs/dbraw/zinc/65/22/46/949652246.db2.gz FUJXLYMPYMPCFD-GMTAPVOTSA-N -1 2 354.374 0.392 20 0 FCADLM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574958087 949652267 /nfs/dbraw/zinc/65/22/67/949652267.db2.gz FUJXLYMPYMPCFD-GMTAPVOTSA-N -1 2 354.374 0.392 20 0 FCADLM C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@H](C2CC2)O1 ZINC001570975875 950471657 /nfs/dbraw/zinc/47/16/57/950471657.db2.gz XLPDUNIVURQORS-TVQRCGJNSA-N -1 2 356.390 0.614 20 0 FCADLM C[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@H](C2CC2)O1 ZINC001570975875 950471669 /nfs/dbraw/zinc/47/16/69/950471669.db2.gz 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Cn1nnc(NS(=O)(=O)c2cccc(C(=O)[O-])c2Br)n1 ZINC001601041190 1286619294 /nfs/dbraw/zinc/61/92/94/1286619294.db2.gz VTLPZUPEPJEHEH-UHFFFAOYSA-N -1 2 362.165 0.472 20 0 FCADLM NS(=O)(=O)c1ccc(O)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001601200132 1286695878 /nfs/dbraw/zinc/69/58/78/1286695878.db2.gz WESGULRZSMYRCT-LBPRGKRZSA-N -1 2 362.363 0.868 20 0 FCADLM COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001609327169 1289100882 /nfs/dbraw/zinc/10/08/82/1289100882.db2.gz AGXPXIQDOJMKTA-GHMZBOCLSA-N -1 2 365.463 0.686 20 0 FCADLM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC001601646596 1286799096 /nfs/dbraw/zinc/79/90/96/1286799096.db2.gz WAVWIWNQVDBSRW-SSDOTTSWSA-N -1 2 366.779 0.700 20 0 FCADLM O=C([O-])Cc1ccccc1CNC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001602146247 1286948687 /nfs/dbraw/zinc/94/86/87/1286948687.db2.gz DYXVRXSCDRSYCJ-UHFFFAOYSA-N -1 2 368.349 0.823 20 0 FCADLM Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001609378174 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NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001610645888 1289540541 /nfs/dbraw/zinc/54/05/41/1289540541.db2.gz OPMYIGVKTAVGCO-UHFFFAOYSA-N -1 2 374.371 0.972 20 0 FCADLM CCOC(=O)c1[nH]cnc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148915716 849620396 /nfs/dbraw/zinc/62/03/96/849620396.db2.gz ZTTGSONVWCFWHG-UHFFFAOYSA-N -1 2 355.328 0.791 20 0 FCADLM CCOC(=O)c1nc[nH]c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148915716 849620402 /nfs/dbraw/zinc/62/04/02/849620402.db2.gz ZTTGSONVWCFWHG-UHFFFAOYSA-N -1 2 355.328 0.791 20 0 FCADLM CSc1ncc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)c(=O)[nH]1 ZINC001277791912 862093070 /nfs/dbraw/zinc/09/30/70/862093070.db2.gz IRRZGQKIAZYOQU-UHFFFAOYSA-N -1 2 365.459 0.140 20 0 FCADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(N(C)CCO)ncn1 ZINC001185877437 851394532 /nfs/dbraw/zinc/39/45/32/851394532.db2.gz LLSFBRBAOHQGAX-UHFFFAOYSA-N -1 2 366.399 0.713 20 0 FCADLM CCOC(=O)C([N-]S(=O)(=O)Cc1c(F)cccc1F)C(=O)OCC ZINC001197616061 853141138 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/nfs/dbraw/zinc/82/46/72/675824672.db2.gz LTRQPQAOHZZFTR-BDAKNGLRSA-N -1 2 363.267 0.957 20 0 FCADLM C[C@@H]1CCN(C(=O)CCn2ccnc2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087196325 1171515532 /nfs/dbraw/zinc/51/55/32/1171515532.db2.gz JNDJGDYOYYYKKA-KGLIPLIRSA-N -1 2 361.450 0.112 20 0 FCADLM Cc1cncc(C)c1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088039645 1190294787 /nfs/dbraw/zinc/29/47/87/1190294787.db2.gz AHBBVCZPEKQJDD-CABCVRRESA-N -1 2 370.457 0.714 20 0 FCADLM CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c(C)nc[nH]c4=O)C[C@@H]3C2)n1 ZINC001088076710 1190401580 /nfs/dbraw/zinc/40/15/80/1190401580.db2.gz RLUYBVPYYPFTIW-KGLIPLIRSA-N -1 2 371.445 0.696 20 0 FCADLM Cc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC001076458712 1194503654 /nfs/dbraw/zinc/50/36/54/1194503654.db2.gz IIJKDLCWRVWFKT-SMDDNHRTSA-N -1 2 369.385 0.061 20 0 FCADLM O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccnc1)c1cc(=O)n2[nH]cnc2n1 ZINC001096338448 1218250736 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FCADLM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001575492760 1272168621 /nfs/dbraw/zinc/16/86/21/1272168621.db2.gz CWLXQMQIFLSFCX-MRVPVSSYSA-N -1 2 357.330 0.152 20 0 FCADLM C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576377228 1273204926 /nfs/dbraw/zinc/20/49/26/1273204926.db2.gz XZCSDMBIBCCWRS-SNVBAGLBSA-N -1 2 356.390 0.758 20 0 FCADLM C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576377228 1273204931 /nfs/dbraw/zinc/20/49/31/1273204931.db2.gz XZCSDMBIBCCWRS-SNVBAGLBSA-N -1 2 356.390 0.758 20 0 FCADLM Cc1cc(C(=O)N(C)CCOCc2c[nH]nn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001577260053 1274286591 /nfs/dbraw/zinc/28/65/91/1274286591.db2.gz MXLAGNNQYZDGEC-UHFFFAOYSA-N -1 2 359.346 0.151 20 0 FCADLM CCC[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H](C)c1nncn1C ZINC001577625871 1274605714 /nfs/dbraw/zinc/60/57/14/1274605714.db2.gz IUTNHDFOARXRDA-NSHDSACASA-N -1 2 372.437 0.526 20 0 FCADLM CCC[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H](C)c1nncn1C ZINC001577625871 1274605721 /nfs/dbraw/zinc/60/57/21/1274605721.db2.gz IUTNHDFOARXRDA-NSHDSACASA-N -1 2 372.437 0.526 20 0 FCADLM Cc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001580773172 1278903830 /nfs/dbraw/zinc/90/38/30/1278903830.db2.gz KKLFEKCQZCJMAK-LLVKDONJSA-N -1 2 366.389 0.106 20 0 FCADLM Cc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001580773172 1278903838 /nfs/dbraw/zinc/90/38/38/1278903838.db2.gz KKLFEKCQZCJMAK-LLVKDONJSA-N -1 2 366.389 0.106 20 0 FCADLM CC[N@@H+]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)s2)C(C)(C)C1 ZINC001578214413 1275507768 /nfs/dbraw/zinc/50/77/68/1275507768.db2.gz AGCSILUXPVBNMY-SNVBAGLBSA-N -1 2 356.477 0.937 20 0 FCADLM CCNC(=O)C[N@H+](C)CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(C)C ZINC001578236273 1275538991 /nfs/dbraw/zinc/53/89/91/1275538991.db2.gz QNBGTIBOEVRGOH-UHFFFAOYSA-N -1 2 362.438 0.113 20 0 FCADLM CCNC(=O)C[N@@H+](C)CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(C)C 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AQORIIPVUGJGOR-UHFFFAOYSA-N -1 2 354.392 0.541 20 0 FCADLM O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001637113705 1282564425 /nfs/dbraw/zinc/56/44/25/1282564425.db2.gz FHAFZIVRGWLUCL-JSGCOSHPSA-N -1 2 364.450 0.653 20 0 FCADLM C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589015441 1282769590 /nfs/dbraw/zinc/76/95/90/1282769590.db2.gz KOVWGZXKTVESPK-VIFPVBQESA-N -1 2 366.345 0.549 20 0 FCADLM O=C(c1ccn[nH]1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001593332504 1286080471 /nfs/dbraw/zinc/08/04/71/1286080471.db2.gz NEJIJXIDUMORME-UHFFFAOYSA-N -1 2 355.362 0.418 20 0 FCADLM O=C1[C@H]([NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CCN1C1CCC1 ZINC001593378984 1286099114 /nfs/dbraw/zinc/09/91/14/1286099114.db2.gz LIKDKIHERCGJEB-OAHLLOKOSA-N -1 2 368.445 0.537 20 0 FCADLM Cc1cc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC001600080342 1286437652 /nfs/dbraw/zinc/43/76/52/1286437652.db2.gz FIFKNCXKZHPLAE-SSDOTTSWSA-N -1 2 354.269 0.679 20 0 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ZINC001606251441 1288237133 /nfs/dbraw/zinc/23/71/33/1288237133.db2.gz RYLDVBZNWJBMLQ-UHFFFAOYSA-N -1 2 350.400 0.907 20 0 FCADLM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cn(C)nc2OC)c1 ZINC001606580996 1288394817 /nfs/dbraw/zinc/39/48/17/1288394817.db2.gz NTPGFAPOIBUUNR-UHFFFAOYSA-N -1 2 369.355 0.714 20 0 FCADLM O=C([O-])C(F)=C(Nc1cccc2cccnc21)c1c(=O)[nH]c(=S)[nH]c1O ZINC001609044413 1288886453 /nfs/dbraw/zinc/88/64/53/1288886453.db2.gz VFACQLQRRIJLEX-JTQLQIEISA-N -1 2 374.353 0.854 20 0 FCADLM CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2c(C(=O)[O-])cnn2C)c1 ZINC001610050340 1289358490 /nfs/dbraw/zinc/35/84/90/1289358490.db2.gz URYFCEXIQLEKFW-UHFFFAOYSA-N -1 2 373.412 0.713 20 0 FCADLM Cn1cnc(-c2ccc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)n1 ZINC001610610972 1289527668 /nfs/dbraw/zinc/52/76/68/1289527668.db2.gz XEABNOXDZXWDLL-UHFFFAOYSA-N -1 2 362.371 0.564 20 0 FCADLM O=C(c1nc(Br)n[nH]1)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001277705729 862017377 /nfs/dbraw/zinc/01/73/77/862017377.db2.gz 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FCADLM C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001158256023 1223091727 /nfs/dbraw/zinc/09/17/27/1223091727.db2.gz ANZBEVGXJODIRG-CHWSQXEVSA-N -1 2 359.434 0.274 20 0 FCADLM C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC001261772578 1260187088 /nfs/dbraw/zinc/18/70/88/1260187088.db2.gz BOHJFBMCBGURCP-UHFFFAOYSA-N -1 2 367.413 0.524 20 0 FCADLM C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575439790 1272109598 /nfs/dbraw/zinc/10/95/98/1272109598.db2.gz VPIVTSMBTOCHRR-BDAKNGLRSA-N -1 2 355.362 0.254 20 0 FCADLM CC[N@@H+](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H](C)c1ncccn1 ZINC001578059508 1275353781 /nfs/dbraw/zinc/35/37/81/1275353781.db2.gz DKEBWYBURSZYCN-LLVKDONJSA-N -1 2 355.406 0.798 20 0 FCADLM CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H](CNc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001578885659 1276416150 /nfs/dbraw/zinc/41/61/50/1276416150.db2.gz DBXJVYQNSIBONR-ZDUSSCGKSA-N -1 2 367.417 0.876 20 0 FCADLM CN(C(=O)Cc1ncn[nH]1)[C@H](CNc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001578885638 1276416474 /nfs/dbraw/zinc/41/64/74/1276416474.db2.gz CSPQXKDTKKETAE-CYBMUJFWSA-N -1 2 368.405 0.271 20 0 FCADLM CO[C@@H]1CCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579618824 1277665540 /nfs/dbraw/zinc/66/55/40/1277665540.db2.gz TXJJLDOOYSYYKC-JKSUJKDBSA-N -1 2 356.430 0.982 20 0 FCADLM CO[C@H]1CCC[C@H]1C(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579618821 1277665599 /nfs/dbraw/zinc/66/55/99/1277665599.db2.gz TXJJLDOOYSYYKC-CVEARBPZSA-N -1 2 356.430 0.982 20 0 FCADLM COc1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](c4nn[nH]n4)C3)n2)cc1 ZINC001588218170 1282409208 /nfs/dbraw/zinc/40/92/08/1282409208.db2.gz RXMVPCHJWGQSTO-JTQLQIEISA-N -1 2 355.358 0.729 20 0 FCADLM C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001590053376 1283188142 /nfs/dbraw/zinc/18/81/42/1283188142.db2.gz KNANXIXJJFOLTK-NWDGAFQWSA-N -1 2 367.417 0.892 20 0 FCADLM C[C@@H](c1cnccn1)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001590053376 1283188147 /nfs/dbraw/zinc/18/81/47/1283188147.db2.gz KNANXIXJJFOLTK-NWDGAFQWSA-N -1 2 367.417 0.892 20 0 FCADLM Cc1ncc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1-c1nn[nH]n1 ZINC001592414441 1285335340 /nfs/dbraw/zinc/33/53/40/1285335340.db2.gz HJZNRBZQCPGQBM-UHFFFAOYSA-N -1 2 361.391 0.757 20 0 FCADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC001593279299 1286062049 /nfs/dbraw/zinc/06/20/49/1286062049.db2.gz CWVWZUHWTYIZBW-UHFFFAOYSA-N -1 2 360.355 0.690 20 0 FCADLM O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc(-c2nn[nH]n2)o1 ZINC001593283661 1286064606 /nfs/dbraw/zinc/06/46/06/1286064606.db2.gz BXXVFABYPGRJMM-UHFFFAOYSA-N -1 2 374.338 0.639 20 0 FCADLM Cc1c(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cccc1-n1cnnn1 ZINC001600054471 1286433195 /nfs/dbraw/zinc/43/31/95/1286433195.db2.gz BBLIGXMBVAQFIN-UHFFFAOYSA-N -1 2 363.359 0.053 20 0 FCADLM Cc1c(NS(=O)(=O)c2cccc3c2COC3=O)cnn1CC(=O)[O-] ZINC001600055172 1286434090 /nfs/dbraw/zinc/43/40/90/1286434090.db2.gz YUGXHUGCDQQZLO-UHFFFAOYSA-N -1 2 351.340 0.747 20 0 FCADLM Cc1nn2cc(S(=O)(=O)Nc3cnn(CC(=O)[O-])c3)cnc2c1Cl ZINC001600790856 1286545676 /nfs/dbraw/zinc/54/56/76/1286545676.db2.gz RAROIPCJHBMGLY-UHFFFAOYSA-N -1 2 370.778 0.773 20 0 FCADLM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 ZINC001601761919 1286826922 /nfs/dbraw/zinc/82/69/22/1286826922.db2.gz ATNJOSMZRPUSLW-JGVFFNPUSA-N -1 2 364.276 0.366 20 0 FCADLM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)C(F)C(F)(F)F)CCS2(=O)=O ZINC001601780057 1286833500 /nfs/dbraw/zinc/83/35/00/1286833500.db2.gz IQNBHIQNASJYLU-XTOKUROSSA-N -1 2 361.313 0.814 20 0 FCADLM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)[C@H](F)C(F)(F)F)CCS2(=O)=O ZINC001601780057 1286833507 /nfs/dbraw/zinc/83/35/07/1286833507.db2.gz IQNBHIQNASJYLU-XTOKUROSSA-N -1 2 361.313 0.814 20 0 FCADLM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001601871851 1286860136 /nfs/dbraw/zinc/86/01/36/1286860136.db2.gz LGBCKCKPPAERHG-CQSZACIVSA-N -1 2 369.337 0.118 20 0 FCADLM O=C([O-])C=Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1 ZINC001601883713 1286862018 /nfs/dbraw/zinc/86/20/18/1286862018.db2.gz ONWFRABMPDUIHA-YIALFULDSA-N -1 2 365.367 0.482 20 0 FCADLM O=C([O-])C=Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001601883713 1286862028 /nfs/dbraw/zinc/86/20/28/1286862028.db2.gz ONWFRABMPDUIHA-YIALFULDSA-N -1 2 365.367 0.482 20 0 FCADLM O=C([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001602473426 1287005753 /nfs/dbraw/zinc/00/57/53/1287005753.db2.gz GPWRPDUZISXSQY-SECBINFHSA-N -1 2 352.372 0.777 20 0 FCADLM O=C([O-])c1cnc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)cn1 ZINC001602535737 1287021747 /nfs/dbraw/zinc/02/17/47/1287021747.db2.gz KIYRAIISXULULK-UHFFFAOYSA-N -1 2 364.339 0.932 20 0 FCADLM CO[C@@H](CS(=O)(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)C(C)C ZINC001605013258 1287837299 /nfs/dbraw/zinc/83/72/99/1287837299.db2.gz WVUIRCICYFPJGJ-VIFPVBQESA-N -1 2 355.424 0.880 20 0 FCADLM Cc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001606135954 1288179722 /nfs/dbraw/zinc/17/97/22/1288179722.db2.gz ARCQTWDLISPYHA-IAQYHMDHSA-N -1 2 368.401 0.838 20 0 FCADLM FC1(F)C[C@H]1OCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001606300028 1288258514 /nfs/dbraw/zinc/25/85/14/1288258514.db2.gz FUKSFXCBPWFKNX-CYBMUJFWSA-N -1 2 351.361 0.808 20 0 FCADLM O=C(Cn1cc[nH+]c1)NCCCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001606620555 1288412470 /nfs/dbraw/zinc/41/24/70/1288412470.db2.gz KREONJIABOQINQ-UHFFFAOYSA-N -1 2 361.797 0.730 20 0 FCADLM O=C(NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)c1cnco1 ZINC001606747026 1288486745 /nfs/dbraw/zinc/48/67/45/1288486745.db2.gz URBOYBVVPVMYQV-ZDUSSCGKSA-N -1 2 369.385 0.486 20 0 FCADLM c1c(CC[NH+]2CCOCC2)nnn1CCOc1cccc(-c2nn[nH]n2)c1 ZINC001607125383 1288669999 /nfs/dbraw/zinc/66/99/99/1288669999.db2.gz LOHNABRSYVHDGA-UHFFFAOYSA-N -1 2 370.417 0.412 20 0 FCADLM Cn1cnnc1-c1cncc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001608137562 1288778971 /nfs/dbraw/zinc/77/89/71/1288778971.db2.gz OOCMOIMEZOVIJL-UHFFFAOYSA-N -1 2 360.355 0.771 20 0 FCADLM NC(=O)N1CCc2cc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC001608237678 1288799884 /nfs/dbraw/zinc/79/98/84/1288799884.db2.gz DFLBSGKSUMUCPC-UHFFFAOYSA-N -1 2 365.371 0.210 20 0 FCADLM O=C([O-])[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)c1ccccc1 ZINC001608485067 1288848876 /nfs/dbraw/zinc/84/88/76/1288848876.db2.gz RTWLWMOJEWDPJI-CYBMUJFWSA-N -1 2 354.322 0.822 20 0 FCADLM CN1C(=O)COc2cc(NS(=O)(=O)c3csnc3C(=O)[O-])ccc21 ZINC001610127571 1289383373 /nfs/dbraw/zinc/38/33/73/1289383373.db2.gz HUXACMHUAHKIDO-UHFFFAOYSA-N -1 2 369.380 0.997 20 0 FCADLM COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)n1 ZINC001610186703 1289416373 /nfs/dbraw/zinc/41/63/73/1289416373.db2.gz LEIMOTCBETXPLW-UHFFFAOYSA-N -1 2 372.334 0.398 20 0 FCADLM COC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC001610191006 1289418783 /nfs/dbraw/zinc/41/87/83/1289418783.db2.gz YSHDYBCPJQAIPQ-UHFFFAOYSA-N -1 2 354.344 0.947 20 0 FCADLM