smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@@H](O)c1cccs1)c1ccc(Br)o1 ZINC000074558623 184997349 /nfs/dbraw/zinc/99/73/49/184997349.db2.gz OBBKRBYSNYVMMU-SSDOTTSWSA-N 0 0 316.176 2.567 50 0 DFAARN CCS(=O)(=O)Nc1ccc(CNC(=O)/C=C/C(C)(C)C)cc1 ZINC000074594671 185000673 /nfs/dbraw/zinc/00/06/73/185000673.db2.gz SLIOSJZRCJWRGH-ZHACJKMWSA-N 0 0 324.446 2.667 50 0 DFAARN COC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 ZINC000074630001 185004511 /nfs/dbraw/zinc/00/45/11/185004511.db2.gz KVRFNYGYIIMUBO-UHFFFAOYSA-N 0 0 322.324 2.511 50 0 DFAARN Cn1ccc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)ccc21 ZINC000095473346 185372896 /nfs/dbraw/zinc/37/28/96/185372896.db2.gz WXWGQOUENIGKFT-INIZCTEOSA-N 0 0 319.364 2.992 50 0 DFAARN Cc1cn2c(ncc(C(=O)Nc3ccc4cc[nH]c4c3)c2=O)s1 ZINC000095474805 185373292 /nfs/dbraw/zinc/37/32/92/185373292.db2.gz UGSREPQBUFOBNC-UHFFFAOYSA-N 0 0 324.365 2.798 50 0 DFAARN COc1ccc(Cc2nc3nccc(-c4ccccn4)n3n2)cc1 ZINC000095480257 185373663 /nfs/dbraw/zinc/37/36/63/185373663.db2.gz ZCFNAXKIRPPPLB-UHFFFAOYSA-N 0 0 317.352 2.786 50 0 DFAARN Cn1nnc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)n1 ZINC000095479628 185373692 /nfs/dbraw/zinc/37/36/92/185373692.db2.gz FLJUMAACFLZBQE-UHFFFAOYSA-N 0 0 318.340 2.611 50 0 DFAARN CN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000095495666 185374187 /nfs/dbraw/zinc/37/41/87/185374187.db2.gz NMJWPHNWHMPBOP-INIZCTEOSA-N 0 0 312.369 2.742 50 0 DFAARN CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000095497012 185374281 /nfs/dbraw/zinc/37/42/81/185374281.db2.gz MGYDKRLDKBKJAK-INIZCTEOSA-N 0 0 313.401 2.503 50 0 DFAARN CCn1ccnc1[C@H]1CCCN(C(=O)c2nc3ccccc3[nH]2)C1 ZINC000095497105 185374413 /nfs/dbraw/zinc/37/44/13/185374413.db2.gz KZUVIIKJTXFEPS-ZDUSSCGKSA-N 0 0 323.400 2.799 50 0 DFAARN CCc1ccc(CN(C(=O)CN2CCCCC2=O)C2CC2)cc1 ZINC000095497634 185374463 /nfs/dbraw/zinc/37/44/63/185374463.db2.gz GJEQGAQPFGSYLC-UHFFFAOYSA-N 0 0 314.429 2.753 50 0 DFAARN c1cn(CC2CC2)c([C@H]2CCCN(c3ncnc4[nH]ccc43)C2)n1 ZINC000095500115 185374567 /nfs/dbraw/zinc/37/45/67/185374567.db2.gz NOWJEZAEVPMBSZ-AWEZNQCLSA-N 0 0 322.416 2.948 50 0 DFAARN Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[C@@H](CO)C2)c1 ZINC000074768990 185016337 /nfs/dbraw/zinc/01/63/37/185016337.db2.gz KYWSGXYDDVBQJG-HZPDHXFCSA-N 0 0 304.434 2.648 50 0 DFAARN c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3cnccn3)C2)n1 ZINC000095507972 185375799 /nfs/dbraw/zinc/37/57/99/185375799.db2.gz HWDMNWOLOLCUKX-MRXNPFEDSA-N 0 0 320.400 2.500 50 0 DFAARN O=C([C@H]1CCc2ccccc2C1)N1CCC(c2ncc[nH]2)CC1 ZINC000095509302 185375825 /nfs/dbraw/zinc/37/58/25/185375825.db2.gz NINNIYYCNIPKNQ-KRWDZBQOSA-N 0 0 309.413 2.921 50 0 DFAARN Cc1cc(C)cc(CN2CCN(c3ccncc3F)CC2=O)c1 ZINC000095508881 185375885 /nfs/dbraw/zinc/37/58/85/185375885.db2.gz MCHCLZXUNQTTJQ-UHFFFAOYSA-N 0 0 313.376 2.686 50 0 DFAARN CCOCc1nc([C@@H]2CCOC2)n(C2Cc3ccccc3C2)n1 ZINC000095510623 185376066 /nfs/dbraw/zinc/37/60/66/185376066.db2.gz ZRNQDEBBLPHVFV-OAHLLOKOSA-N 0 0 313.401 2.658 50 0 DFAARN Cc1ccc2nc(C)c(C)c(C(=O)NCCCn3cnnc3)c2c1 ZINC000095510586 185376089 /nfs/dbraw/zinc/37/60/89/185376089.db2.gz HCPZVMXHFLXUPF-UHFFFAOYSA-N 0 0 323.400 2.572 50 0 DFAARN CSCC(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000095511531 185376264 /nfs/dbraw/zinc/37/62/64/185376264.db2.gz ZFCIQQGQAGEUQP-KRWDZBQOSA-N 0 0 321.442 2.950 50 0 DFAARN COC(=O)C[C@H]1CCN(C(=O)Nc2ccccc2SC)C1 ZINC000095519860 185377076 /nfs/dbraw/zinc/37/70/76/185377076.db2.gz JYTBHKYZTMXZFU-LLVKDONJSA-N 0 0 308.403 2.825 50 0 DFAARN C[C@H](c1nc(Cc2cccs2)nn1C(C)(C)C)n1cncn1 ZINC000095512485 185376340 /nfs/dbraw/zinc/37/63/40/185376340.db2.gz ZTRXWYWODQJEPK-LLVKDONJSA-N 0 0 316.434 2.886 50 0 DFAARN Cc1nc2ccc(C(=O)N3CC(c4ccccn4)C3)cc2nc1C ZINC000095518192 185376949 /nfs/dbraw/zinc/37/69/49/185376949.db2.gz UVHGLDMLWRDINI-UHFFFAOYSA-N 0 0 318.380 2.881 50 0 DFAARN CNC(=O)c1ccc(C[C@H]2COc3cc(OC)ccc3C2)cc1 ZINC000095519121 185377192 /nfs/dbraw/zinc/37/71/92/185377192.db2.gz SEWGMTSMVAHIIC-CQSZACIVSA-N 0 0 311.381 2.849 50 0 DFAARN CCc1nc(CNC(=O)[C@@H]2COc3ccccc3C2)cs1 ZINC000095522129 185377281 /nfs/dbraw/zinc/37/72/81/185377281.db2.gz FFZOFLQRPCGZQP-LBPRGKRZSA-N 0 0 302.399 2.573 50 0 DFAARN CC(C)C[C@H](C)OC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000076879798 185048621 /nfs/dbraw/zinc/04/86/21/185048621.db2.gz XYIIXVPMOVSCGC-AWEZNQCLSA-N 0 0 318.417 2.912 50 0 DFAARN Cc1nnc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)s1 ZINC000076909326 185054729 /nfs/dbraw/zinc/05/47/29/185054729.db2.gz UAVDAIKQUFDTOT-CYBMUJFWSA-N 0 0 302.403 2.989 50 0 DFAARN CCc1cc(CNC(=O)NCC[C@H](C)c2ccccc2)[nH]n1 ZINC000076954237 185060227 /nfs/dbraw/zinc/06/02/27/185060227.db2.gz DACBRFQINBBNCH-ZDUSSCGKSA-N 0 0 300.406 2.965 50 0 DFAARN CCOc1ccc(OCc2nc([C@H]3CCOC3)n(CC)n2)cc1 ZINC000095521946 185377447 /nfs/dbraw/zinc/37/74/47/185377447.db2.gz UTTDPQSQMYILLC-ZDUSSCGKSA-N 0 0 317.389 2.780 50 0 DFAARN C/C=C/CC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000095525845 185378193 /nfs/dbraw/zinc/37/81/93/185378193.db2.gz GJTIXJYWGUWFJG-YATRRXNKSA-N 0 0 324.428 2.999 50 0 DFAARN COC[C@H](NC(=O)Nc1c(C)cccc1Cl)c1ccnn1C ZINC000095528173 185378279 /nfs/dbraw/zinc/37/82/79/185378279.db2.gz OAGVCRWYXCTMGH-LBPRGKRZSA-N 0 0 322.796 2.891 50 0 DFAARN COC[C@@H](NC(=O)Nc1c(C)cccc1Cl)c1ccnn1C ZINC000095528174 185378432 /nfs/dbraw/zinc/37/84/32/185378432.db2.gz OAGVCRWYXCTMGH-GFCCVEGCSA-N 0 0 322.796 2.891 50 0 DFAARN Cc1noc(C)c1CC(=O)Nc1cc(CCc2ccccc2)[nH]n1 ZINC000077036026 185074077 /nfs/dbraw/zinc/07/40/77/185074077.db2.gz NTDXDYRNXQXKAH-UHFFFAOYSA-N 0 0 324.384 2.981 50 0 DFAARN COC(=O)c1ccc(/C=C\C(=O)Nc2nc(C)cs2)cc1 ZINC000096620093 185384571 /nfs/dbraw/zinc/38/45/71/185384571.db2.gz ZYIKBLZCQHYEMS-YVMONPNESA-N 0 0 302.355 2.890 50 0 DFAARN COc1ccc(C2=N/C(=C/c3csc(C)n3)C(=O)O2)cc1 ZINC000096634882 185384850 /nfs/dbraw/zinc/38/48/50/185384850.db2.gz KCRNIHWZIZKQCQ-NTUHNPAUSA-N 0 0 300.339 2.805 50 0 DFAARN COc1ccc(CCC(=O)NCC[C@@H](O)c2cccs2)cc1 ZINC000077113755 185109955 /nfs/dbraw/zinc/10/99/55/185109955.db2.gz FCUCMKKTPZONCQ-OAHLLOKOSA-N 0 0 319.426 2.929 50 0 DFAARN COc1cccc2cc(C(=O)NCCc3cc(C)no3)oc21 ZINC000077122154 185111190 /nfs/dbraw/zinc/11/11/90/185111190.db2.gz YNKOGVSKTFRIQT-UHFFFAOYSA-N 0 0 300.314 2.710 50 0 DFAARN O=C(/C=C\c1ccsc1)N1CCN(c2nccs2)CC1 ZINC000096794768 185388378 /nfs/dbraw/zinc/38/83/78/185388378.db2.gz KTJRGXPHHBGGOQ-UPHRSURJSA-N 0 0 305.428 2.567 50 0 DFAARN CCc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)n(C)n1 ZINC000078988518 185141294 /nfs/dbraw/zinc/14/12/94/185141294.db2.gz KSGYXZJVWZTELI-GOEBONIOSA-N 0 0 314.389 2.634 50 0 DFAARN COC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC000079047960 185149274 /nfs/dbraw/zinc/14/92/74/185149274.db2.gz TWCZILLIFSAHJL-QGZVFWFLSA-N 0 0 305.374 2.738 50 0 DFAARN COCCc1noc(CN2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000079097514 185158088 /nfs/dbraw/zinc/15/80/88/185158088.db2.gz PUAXNUHKYVXCKG-SFHVURJKSA-N 0 0 315.417 2.812 50 0 DFAARN C/C=C\c1ccc(OCC(=O)NCc2cccnc2)c(OC)c1 ZINC000096803956 185388881 /nfs/dbraw/zinc/38/88/81/185388881.db2.gz NGJSNBYAMVCVQX-HYXAFXHYSA-N 0 0 312.369 2.819 50 0 DFAARN CCNC(=O)[C@@H](C)NC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000096871600 185389882 /nfs/dbraw/zinc/38/98/82/185389882.db2.gz KADZMBWRKWEAIQ-WILPJHFFSA-N 0 0 315.200 2.647 50 0 DFAARN CCCc1cc(C(=O)NC[C@H]2CCc3ccccc3O2)no1 ZINC000082162062 185174411 /nfs/dbraw/zinc/17/44/11/185174411.db2.gz ZQLDROSEKPKYOJ-CQSZACIVSA-N 0 0 300.358 2.751 50 0 DFAARN CCc1nnc(NC(=O)/C=C\c2ccc(OC)c(F)c2)s1 ZINC000096891751 185390617 /nfs/dbraw/zinc/39/06/17/185390617.db2.gz ZGZMKILDSOMOEO-ALCCZGGFSA-N 0 0 307.350 2.900 50 0 DFAARN CNC(=O)CCCC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000225440617 201708366 /nfs/dbraw/zinc/70/83/66/201708366.db2.gz YMFILWYBCLBKKG-ZDUSSCGKSA-N 0 0 308.809 2.572 50 0 DFAARN Cc1cc2ncc3c(n2n1)CCN(C(=O)Nc1cccs1)C3 ZINC000218865907 398346587 /nfs/dbraw/zinc/34/65/87/398346587.db2.gz YTCAJLNCXWRFCU-UHFFFAOYSA-N 0 0 313.386 2.689 50 0 DFAARN CN1C(=O)N[C@@H](c2ccccc2OC(F)F)C2=C1CCCC2=O ZINC000002701457 398347717 /nfs/dbraw/zinc/34/77/17/398347717.db2.gz HXHAJOWNSHNMIZ-AWEZNQCLSA-N 0 0 322.311 2.991 50 0 DFAARN CC[C@@]1(CO)CCCN1C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000225490162 398349185 /nfs/dbraw/zinc/34/91/85/398349185.db2.gz WCVAUJXUZYAOMQ-INIZCTEOSA-N 0 0 306.410 2.543 50 0 DFAARN CCN1C(=S)O/C(=C\N(C(C)=O)c2ccccc2)C1=S ZINC000000188605 398345421 /nfs/dbraw/zinc/34/54/21/398345421.db2.gz RGZNFPHGAPAXFL-XFXZXTDPSA-N 0 0 306.412 2.845 50 0 DFAARN O=C(CSc1cccc2cccnc21)NC1=NCCS1 ZINC000000440448 398345865 /nfs/dbraw/zinc/34/58/65/398345865.db2.gz LZEMTKTUEAVVHI-UHFFFAOYSA-N 0 0 303.412 2.546 50 0 DFAARN C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC[S@]1=O ZINC000225447479 201709653 /nfs/dbraw/zinc/70/96/53/201709653.db2.gz OIPLZKXTAGEIAW-AYLIAGHASA-N 0 0 320.241 2.977 50 0 DFAARN Cc1nnc2sc(SC/C=C/c3ccccc3)nn2c1=O ZINC000004347034 398349626 /nfs/dbraw/zinc/34/96/26/398349626.db2.gz JPYYULJLOSZRJK-VMPITWQZSA-N 0 0 316.411 2.660 50 0 DFAARN CCc1nnc([C@@H](C)N2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 ZINC000229296044 398354923 /nfs/dbraw/zinc/35/49/23/398354923.db2.gz KUWVUGJFXXNHRM-ZYHUDNBSSA-N 0 0 317.393 2.833 50 0 DFAARN Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000229437981 398354954 /nfs/dbraw/zinc/35/49/54/398354954.db2.gz NGMAKEAMIBZGGZ-IKGGRYGDSA-N 0 0 310.401 2.554 50 0 DFAARN CCOC(=O)Nc1cccc(NC(=O)NC[C@@](C)(O)CC)c1C ZINC000066160666 398360293 /nfs/dbraw/zinc/36/02/93/398360293.db2.gz OHBQQAPWUVYYEF-INIZCTEOSA-N 0 0 323.393 2.846 50 0 DFAARN COCCn1ccc(NC(=O)/C=C(/C)c2ccccc2OC)n1 ZINC000066362542 398371637 /nfs/dbraw/zinc/37/16/37/398371637.db2.gz KNCXOXOCDAOXSI-SEYXRHQNSA-N 0 0 315.373 2.580 50 0 DFAARN COC(=O)c1cc(/C=C2/N=C(c3ccccc3)OC2=O)oc1C ZINC000096930286 185392200 /nfs/dbraw/zinc/39/22/00/185392200.db2.gz SPKDOCNHGRBKMM-NTEUORMPSA-N 0 0 311.293 2.719 50 0 DFAARN CC(C)CNC(=O)CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000096940040 185393205 /nfs/dbraw/zinc/39/32/05/185393205.db2.gz UDTYOHUGKIYMAK-WAYWQWQTSA-N 0 0 322.459 2.901 50 0 DFAARN C[C@H](CNC(=O)N[C@](C)(CO)C1CCCCC1)c1ccncc1 ZINC000088608242 185259984 /nfs/dbraw/zinc/25/99/84/185259984.db2.gz KIMGQFQPXUNJJL-RDTXWAMCSA-N 0 0 319.449 2.816 50 0 DFAARN C[C@H](CNC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccncc1 ZINC000088608239 185260041 /nfs/dbraw/zinc/26/00/41/185260041.db2.gz KIMGQFQPXUNJJL-KDOFPFPSSA-N 0 0 319.449 2.816 50 0 DFAARN O=C1[C@H](Nc2ncc(Cl)cn2)CCN1c1c(F)cccc1F ZINC000088765828 185264400 /nfs/dbraw/zinc/26/44/00/185264400.db2.gz VGDXNMBTYMNOCA-LLVKDONJSA-N 0 0 324.718 2.626 50 0 DFAARN CCN(CCc1nccs1)C(=O)c1ccc2c(c1)CCO2 ZINC000089969235 185272185 /nfs/dbraw/zinc/27/21/85/185272185.db2.gz TZJMLZKMUBFEHP-UHFFFAOYSA-N 0 0 302.399 2.783 50 0 DFAARN CCN(C[C@@H]1CCCO1)C(=O)NCc1cccc2cccnc21 ZINC000089969136 185272253 /nfs/dbraw/zinc/27/22/53/185272253.db2.gz LKGARYDUAAPFPJ-INIZCTEOSA-N 0 0 313.401 2.945 50 0 DFAARN COc1c(I)nccc1C(F)(F)F ZINC000238420599 398377678 /nfs/dbraw/zinc/37/76/78/398377678.db2.gz WVIWTNJOLPJNJI-UHFFFAOYSA-N 0 0 303.021 2.714 50 0 DFAARN COc1nccc(I)c1C(F)(F)F ZINC000238425899 398377734 /nfs/dbraw/zinc/37/77/34/398377734.db2.gz NYIZIYMXZQAIJL-UHFFFAOYSA-N 0 0 303.021 2.714 50 0 DFAARN CCOC(=O)c1cnc2ccc(C)cc2c1NCC[S@@](C)=O ZINC000089984901 185274274 /nfs/dbraw/zinc/27/42/74/185274274.db2.gz SDLDBQWOLJHCJA-QFIPXVFZSA-N 0 0 320.414 2.510 50 0 DFAARN Cc1nccn1C[C@@H]1CCc2c(c3cccc(O)c3n2C)C1=O ZINC000044699633 282214738 /nfs/dbraw/zinc/21/47/38/282214738.db2.gz XVDKMEPUFIAQFH-LBPRGKRZSA-N 0 0 309.369 2.834 50 0 in-vitro DFAARN CCOc1ccc(CC(=O)Nc2ccccc2-n2ccnn2)cc1 ZINC000089991113 185275243 /nfs/dbraw/zinc/27/52/43/185275243.db2.gz KAQDVRDYGGQTIU-UHFFFAOYSA-N 0 0 322.368 2.847 50 0 DFAARN CCC[C@H]1CN(Cc2ncc(C)o2)CCN1Cc1ncc(C)o1 ZINC000089950034 185271055 /nfs/dbraw/zinc/27/10/55/185271055.db2.gz YFPPCIJZQUXSAD-HNNXBMFYSA-N 0 0 318.421 2.766 50 0 DFAARN CCCCc1noc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)n1 ZINC000089954875 185271705 /nfs/dbraw/zinc/27/17/05/185271705.db2.gz KZFUDGSPNMIGMO-NEPJUHHUSA-N 0 0 318.425 2.752 50 0 DFAARN 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CWDBKGIJFCVPFS-UHFFFAOYSA-N 0 0 314.370 2.698 50 0 DFAARN CCc1n[nH]c(=S)n1CCNC(=O)c1ccc(C)c(Cl)c1 ZINC000096440903 426425936 /nfs/dbraw/zinc/42/59/36/426425936.db2.gz UOEWWHYXXILXQC-UHFFFAOYSA-N 0 0 324.837 2.895 50 0 DFAARN O=C(NC[C@H](O)c1ccc(Cl)s1)[C@H]1C[C@@H]1c1ccco1 ZINC000096441153 426426049 /nfs/dbraw/zinc/42/60/49/426426049.db2.gz WELXDEIJPROKNE-GUBZILKMSA-N 0 0 311.790 2.948 50 0 DFAARN C[S@@](=O)C[C@@H](NC(=O)c1cccc(F)c1F)c1ccccc1 ZINC000096445529 426426931 /nfs/dbraw/zinc/42/69/31/426426931.db2.gz SJWISJDJOHKOLS-PEBXRYMYSA-N 0 0 323.364 2.814 50 0 DFAARN O=C(OC1([C@@H]2CCOC2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000096442328 426427267 /nfs/dbraw/zinc/42/72/67/426427267.db2.gz NOKQAKJDLTXCLK-MRXNPFEDSA-N 0 0 312.369 2.657 50 0 DFAARN O=C(OC1([C@H]2CCOC2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000096442329 426427327 /nfs/dbraw/zinc/42/73/27/426427327.db2.gz NOKQAKJDLTXCLK-INIZCTEOSA-N 0 0 312.369 2.657 50 0 DFAARN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ncccc2C)cc1 ZINC000096443089 426427379 /nfs/dbraw/zinc/42/73/79/426427379.db2.gz GSDPTUPBUUATAU-INIZCTEOSA-N 0 0 323.396 2.828 50 0 DFAARN CC(=O)N1CCCN(C(=O)c2oc(C)nc2C)c2ccccc21 ZINC000096444801 426427399 /nfs/dbraw/zinc/42/73/99/426427399.db2.gz IGGTWDAGEAETFR-UHFFFAOYSA-N 0 0 313.357 2.695 50 0 DFAARN CCc1ocnc1C(=O)OC[C@@H]1CCN(c2ccccc2)C1 ZINC000096442373 426427568 /nfs/dbraw/zinc/42/75/68/426427568.db2.gz OKGSOVNCUSKLHQ-CYBMUJFWSA-N 0 0 300.358 2.920 50 0 DFAARN O=C(Cc1cccc(Cl)c1)NC[C@@H](O)c1ccccc1F ZINC000096445824 426428202 /nfs/dbraw/zinc/42/82/02/426428202.db2.gz SSGLPPXYCBZWCJ-OAHLLOKOSA-N 0 0 307.752 2.871 50 0 DFAARN Cc1ccc(CNC(=O)C2CCN(Cc3ccon3)CC2)cc1 ZINC000096447077 426428364 /nfs/dbraw/zinc/42/83/64/426428364.db2.gz KHIQDOQGLIEOJI-UHFFFAOYSA-N 0 0 313.401 2.511 50 0 DFAARN Cc1nc(-c2ccc(NC(=O)CC[C@@H]3CCCOC3)cc2)n[nH]1 ZINC000096449525 426428479 /nfs/dbraw/zinc/42/84/79/426428479.db2.gz WGDRLCXBEOCOTE-ZDUSSCGKSA-N 0 0 314.389 2.925 50 0 DFAARN COc1ccc([C@H](C)NC(=O)NCc2ccn(C)c2)c(OC)c1 ZINC000096448362 426428503 /nfs/dbraw/zinc/42/85/03/426428503.db2.gz WQCNLZYLUQFFJL-LBPRGKRZSA-N 0 0 317.389 2.603 50 0 DFAARN CC(=O)NC[C@H](OC(=O)c1ccc(Cl)cn1)c1ccccc1 ZINC000096453124 426429101 /nfs/dbraw/zinc/42/91/01/426429101.db2.gz SBTJGZKBYQONHM-HNNXBMFYSA-N 0 0 318.760 2.769 50 0 DFAARN C/C=C/C=C\C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000096451571 426429113 /nfs/dbraw/zinc/42/91/13/426429113.db2.gz TYNQCMPCIZLIQO-RRZHVUFGSA-N 0 0 312.413 2.787 50 0 DFAARN Cc1cnc(CNC(=O)c2cc(Br)ccc2C)o1 ZINC000096449954 426429446 /nfs/dbraw/zinc/42/94/46/426429446.db2.gz ZPJGQXHQOYDAAV-UHFFFAOYSA-N 0 0 309.163 2.984 50 0 DFAARN CC[C@@H](CNC(=O)c1ccncc1F)Oc1ccccc1F ZINC000096451729 426429507 /nfs/dbraw/zinc/42/95/07/426429507.db2.gz CUPNAFGUKBTAKA-NSHDSACASA-N 0 0 306.312 2.947 50 0 DFAARN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccsc2)C1 ZINC000096454707 426430133 /nfs/dbraw/zinc/43/01/33/426430133.db2.gz ZXAZDSNACNTXHF-GFCCVEGCSA-N 0 0 310.419 2.830 50 0 DFAARN COc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)c(Cl)c1 ZINC000096455483 426430519 /nfs/dbraw/zinc/43/05/19/426430519.db2.gz CVGSGNCYLSJMFK-CQSZACIVSA-N 0 0 322.836 2.935 50 0 DFAARN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccnc(C)n2)C1 ZINC000096462870 426431286 /nfs/dbraw/zinc/43/12/86/426431286.db2.gz RCGPRQHHAZYIRN-ZIAGYGMSSA-N 0 0 308.451 2.601 50 0 DFAARN CC(C)(C)c1csc(CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 ZINC000096461768 426431292 /nfs/dbraw/zinc/43/12/92/426431292.db2.gz MOEHJDPUNCEXIP-OAHLLOKOSA-N 0 0 307.419 2.661 50 0 DFAARN C[C@@H](NC(=O)[C@H]1CCOC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000096456501 426431446 /nfs/dbraw/zinc/43/14/46/426431446.db2.gz CTRMZAVJQIOSTN-KOLCDFICSA-N 0 0 321.764 2.604 50 0 DFAARN Cc1ccoc1C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000096466925 426431498 /nfs/dbraw/zinc/43/14/98/426431498.db2.gz SITIWFZFHMVSNM-OAHLLOKOSA-N 0 0 313.353 2.702 50 0 DFAARN COC(=O)[C@@H](C)CNC(=O)Nc1ccccc1CC(F)(F)F ZINC000096461429 426431506 /nfs/dbraw/zinc/43/15/06/426431506.db2.gz LGRYDTIVXBVLLC-VIFPVBQESA-N 0 0 318.295 2.722 50 0 DFAARN CN(CC(F)F)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000096471027 426431890 /nfs/dbraw/zinc/43/18/90/426431890.db2.gz AGAJIBGNRAWKGK-JTQLQIEISA-N 0 0 300.305 2.583 50 0 DFAARN C[C@H](CN(C)S(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1 ZINC000096472564 426431895 /nfs/dbraw/zinc/43/18/95/426431895.db2.gz OSDCDJZNWLSPSJ-ZBFHGGJFSA-N 0 0 311.447 2.621 50 0 DFAARN CCn1cc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cn1 ZINC000096472891 426432042 /nfs/dbraw/zinc/43/20/42/426432042.db2.gz MZATWTWXFIXRSO-UHFFFAOYSA-N 0 0 307.357 2.637 50 0 DFAARN CCn1c2ccccc2nc1SCCCCS(C)(=O)=O ZINC000096469360 426432151 /nfs/dbraw/zinc/43/21/51/426432151.db2.gz RPSNGHKACQDMTM-UHFFFAOYSA-N 0 0 312.460 2.973 50 0 DFAARN Cc1nc2ccccc2nc1SCCCCS(C)(=O)=O ZINC000096469484 426432343 /nfs/dbraw/zinc/43/23/43/426432343.db2.gz NRPYUZDUNKNVCJ-UHFFFAOYSA-N 0 0 310.444 2.855 50 0 DFAARN CC[C@@H](COC)NC(=O)Nc1ccccc1OCC(F)F ZINC000096475063 426432428 /nfs/dbraw/zinc/43/24/28/426432428.db2.gz JTBGWABWSQEMBZ-JTQLQIEISA-N 0 0 302.321 2.877 50 0 DFAARN CC[C@H](C)n1cnc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)c1 ZINC000096472542 426432537 /nfs/dbraw/zinc/43/25/37/426432537.db2.gz QFJQJVXSRGMPRI-MJBXVCDLSA-N 0 0 311.451 2.807 50 0 DFAARN c1c2ccccc2[nH]c1[C@H]1CCCCN1c1ccc2nnnn2n1 ZINC000096472317 426432738 /nfs/dbraw/zinc/43/27/38/426432738.db2.gz QEBPTUDRCFYERB-OAHLLOKOSA-N 0 0 319.372 2.732 50 0 DFAARN Cn1cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cn1 ZINC000123422605 426434081 /nfs/dbraw/zinc/43/40/81/426434081.db2.gz OPQBSOWJMAZJGR-UHFFFAOYSA-N 0 0 322.412 2.850 50 0 DFAARN COc1cccc([C@H](O)C(=O)N(C)[C@H](C)Cc2cccs2)c1 ZINC000096487104 426434303 /nfs/dbraw/zinc/43/43/03/426434303.db2.gz DNFYFXFFIDOKMV-WBMJQRKESA-N 0 0 319.426 2.880 50 0 DFAARN Cc1c(C(=O)O[C@@H](C)c2nccs2)cnn1-c1ccccn1 ZINC000096485444 426434576 /nfs/dbraw/zinc/43/45/76/426434576.db2.gz BFXGAAJFIXEWEA-NSHDSACASA-N 0 0 314.370 2.950 50 0 DFAARN C[C@H](NC(=O)CN(C)c1ccccc1N(C)C)c1ccco1 ZINC000096485967 426434673 /nfs/dbraw/zinc/43/46/73/426434673.db2.gz VGNKJVUKWSSFPF-ZDUSSCGKSA-N 0 0 301.390 2.659 50 0 DFAARN CCn1cc(C(=O)C(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)cn1 ZINC000096485394 426435009 /nfs/dbraw/zinc/43/50/09/426435009.db2.gz BQTYBZULVWYSET-HNNXBMFYSA-N 0 0 317.389 2.891 50 0 DFAARN Cc1ncc(C(=O)NCCc2ccc(OC(C)C)cc2)c(C)n1 ZINC000096494557 426435290 /nfs/dbraw/zinc/43/52/90/426435290.db2.gz FQMFGMUARIFCTP-UHFFFAOYSA-N 0 0 313.401 2.853 50 0 DFAARN CC[C@@H](C)Oc1cc(C(=O)Nc2ccnc3ccnn32)ccn1 ZINC000096494678 426436422 /nfs/dbraw/zinc/43/64/22/426436422.db2.gz HGRVYVMCGYEMES-LLVKDONJSA-N 0 0 311.345 2.554 50 0 DFAARN Cn1ccc2ccn(Cc3nc(C(F)(F)F)cs3)c(=O)c21 ZINC000154344371 426436693 /nfs/dbraw/zinc/43/66/93/426436693.db2.gz MKBLVAOQWUBNAM-UHFFFAOYSA-N 0 0 313.304 2.864 50 0 DFAARN CCc1c(NC(=O)N2CCO[C@@H](C)[C@@H]2C)cnn1CC(C)C ZINC000096499592 426436859 /nfs/dbraw/zinc/43/68/59/426436859.db2.gz BMIYOYAHAGMRSU-STQMWFEESA-N 0 0 308.426 2.743 50 0 DFAARN COC(=O)[C@H](C)c1c(C)nn(Cc2cccc(OC)c2)c1C ZINC000096496143 426437107 /nfs/dbraw/zinc/43/71/07/426437107.db2.gz XTFREQHCNUYBFY-LLVKDONJSA-N 0 0 302.374 2.833 50 0 DFAARN Cc1cccc([C@@H](C)CNC(=O)N(C)C[C@@H](O)C(F)(F)F)c1 ZINC000096502866 426438113 /nfs/dbraw/zinc/43/81/13/426438113.db2.gz SECRAJJBEAKQPF-WCQYABFASA-N 0 0 318.339 2.663 50 0 DFAARN CC(C)C[C@H](NC(=O)N1CC[C@H]([C@@H](C)O)C1)c1ccccn1 ZINC000096502541 426438320 /nfs/dbraw/zinc/43/83/20/426438320.db2.gz FUSLWCZVOHBRPA-YCPHGPKFSA-N 0 0 305.422 2.581 50 0 DFAARN CC(C)C[C@H](NC(=O)N1CC[C@@H]([C@@H](C)O)C1)c1ccccn1 ZINC000096502543 426438453 /nfs/dbraw/zinc/43/84/53/426438453.db2.gz FUSLWCZVOHBRPA-FMKPAKJESA-N 0 0 305.422 2.581 50 0 DFAARN Cc1ccc(CNC(=O)N2CCC[C@H](C3(C)OCCO3)C2)s1 ZINC000096502090 426438522 /nfs/dbraw/zinc/43/85/22/426438522.db2.gz OKZUQKSNADAUFJ-ZDUSSCGKSA-N 0 0 324.446 2.741 50 0 DFAARN CCn1cnnc1CN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000097034436 426441043 /nfs/dbraw/zinc/44/10/43/426441043.db2.gz QRGYKJWOCAYELZ-LLVKDONJSA-N 0 0 300.362 2.904 50 0 DFAARN CC(C)Cn1cc(N[C@H](C)c2ccc(-n3cnnn3)cc2)cn1 ZINC000097038659 426442094 /nfs/dbraw/zinc/44/20/94/426442094.db2.gz IAQUFMVMSZVDIO-CYBMUJFWSA-N 0 0 311.393 2.688 50 0 DFAARN COC(=O)C[C@H]1CSCCN1[C@@H](C)c1nc2ccccc2o1 ZINC000097047149 426442773 /nfs/dbraw/zinc/44/27/73/426442773.db2.gz INVQZCLFRWYPHO-RYUDHWBXSA-N 0 0 320.414 2.869 50 0 DFAARN Cc1c(CNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cnn1C ZINC000097048324 426444060 /nfs/dbraw/zinc/44/40/60/426444060.db2.gz AIMJGDYZQPLNGX-NSHDSACASA-N 0 0 320.359 2.895 50 0 DFAARN Cc1nn(C)c2ncc(NCc3cnc4ccc(C)cn34)cc12 ZINC000097054886 426444203 /nfs/dbraw/zinc/44/42/03/426444203.db2.gz WHIYIJDEAKJFPV-UHFFFAOYSA-N 0 0 306.373 2.845 50 0 DFAARN Cc1csc(COC(=O)c2ccc(-c3ncn(C)n3)cc2)n1 ZINC000097054695 426444261 /nfs/dbraw/zinc/44/42/61/426444261.db2.gz SQMSZOADABVGJO-UHFFFAOYSA-N 0 0 314.370 2.604 50 0 DFAARN O=C(c1cccc(O)c1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000097060250 426445098 /nfs/dbraw/zinc/44/50/98/426445098.db2.gz TYUIPOLCNIANHJ-KRWDZBQOSA-N 0 0 315.344 2.870 50 0 DFAARN COC(=O)CN(Cc1ccc(Cl)c(C)c1)C1CCOCC1 ZINC000097057397 426445273 /nfs/dbraw/zinc/44/52/73/426445273.db2.gz MKVZVSWAXVTOQY-UHFFFAOYSA-N 0 0 311.809 2.802 50 0 DFAARN O=C(NCC[C@@H]1CCCCO1)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000097055355 426445447 /nfs/dbraw/zinc/44/54/47/426445447.db2.gz FFYAZDNEYWZPIH-BBWFWOEESA-N 0 0 318.417 2.775 50 0 DFAARN COC(=O)CCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000097060202 426445493 /nfs/dbraw/zinc/44/54/93/426445493.db2.gz LBOSPUVXOSFRFH-GFCCVEGCSA-N 0 0 310.419 2.501 50 0 DFAARN CC(C)[C@H](NC(=O)NCCn1ccnn1)c1ccccc1Cl ZINC000097082905 426445838 /nfs/dbraw/zinc/44/58/38/426445838.db2.gz LFNNBBKDFCMEKH-AWEZNQCLSA-N 0 0 321.812 2.628 50 0 DFAARN CCN(CC)C(=O)CCNC(=O)c1cc(C)c(C)cc1Cl ZINC000097080272 426446228 /nfs/dbraw/zinc/44/62/28/426446228.db2.gz DZWJNFKHWFFTRF-UHFFFAOYSA-N 0 0 310.825 2.945 50 0 DFAARN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cccnn1 ZINC000097083049 426446298 /nfs/dbraw/zinc/44/62/98/426446298.db2.gz FBJJXYQMGYYPRZ-CYBMUJFWSA-N 0 0 314.393 2.966 50 0 DFAARN O=S(=O)(Cc1noc2ccccc12)NCc1ccsc1 ZINC000097082103 426446448 /nfs/dbraw/zinc/44/64/48/426446448.db2.gz NKAQKVDFKSJEKV-UHFFFAOYSA-N 0 0 308.384 2.509 50 0 DFAARN O=C1CCCCN1CSc1nnc(CCc2ccccc2)o1 ZINC000097080616 426446467 /nfs/dbraw/zinc/44/64/67/426446467.db2.gz ZRRRGLICICQAEW-UHFFFAOYSA-N 0 0 317.414 2.917 50 0 DFAARN Cc1ccc(-c2ccc(C(=O)NCC(=O)N3CCCC3)s2)o1 ZINC000097081137 426446525 /nfs/dbraw/zinc/44/65/25/426446525.db2.gz AWYAGBGKXVXHGP-UHFFFAOYSA-N 0 0 318.398 2.669 50 0 DFAARN O=c1ccccn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000097082400 426446565 /nfs/dbraw/zinc/44/65/65/426446565.db2.gz SALMFKWTVMLBNL-UHFFFAOYSA-N 0 0 321.167 2.784 50 0 DFAARN Cc1nn(-c2ccccc2)cc1CNC(=O)NCc1ccco1 ZINC000097080166 426446607 /nfs/dbraw/zinc/44/66/07/426446607.db2.gz FSBYOAFRFGDHDX-UHFFFAOYSA-N 0 0 310.357 2.773 50 0 DFAARN Cc1ccc(/C=C/CC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000097079985 426446610 /nfs/dbraw/zinc/44/66/10/426446610.db2.gz CRMBNEZCKVGAIT-WOMSROEHSA-N 0 0 312.413 2.525 50 0 DFAARN Cc1nscc1C(=O)O[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000097084395 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/nfs/dbraw/zinc/97/52/10/425975210.db2.gz XTWNVAXMQQYUBC-BXKDBHETSA-N 0 0 303.366 2.579 50 0 DFAARN O=C(NC[C@@H](O)Cc1ccccc1)c1c(F)cccc1Cl ZINC000070957175 425979244 /nfs/dbraw/zinc/97/92/44/425979244.db2.gz BHRVKTPFWDDYAW-LBPRGKRZSA-N 0 0 307.752 2.813 50 0 DFAARN Cc1ccnc(NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)n1 ZINC000106914372 425980045 /nfs/dbraw/zinc/98/00/45/425980045.db2.gz PHYHLVFNJZGJMF-UONOGXRCSA-N 0 0 318.446 2.720 50 0 DFAARN COc1ccccc1[C@H](NC(=O)C1CCCC1)c1noc(C)n1 ZINC000070981901 425980172 /nfs/dbraw/zinc/98/01/72/425980172.db2.gz CMGKDPAPZYPVPT-HNNXBMFYSA-N 0 0 315.373 2.782 50 0 DFAARN CC(C)C[C@H]1COCCN1C(=O)Nc1nnc(C(C)C)s1 ZINC000073029741 426022518 /nfs/dbraw/zinc/02/25/18/426022518.db2.gz XTSRBDKRYBWSIM-NSHDSACASA-N 0 0 312.439 2.940 50 0 DFAARN CCN1C(=S)N=NC1CNC(=O)c1csc2ccccc12 ZINC000108896405 426024591 /nfs/dbraw/zinc/02/45/91/426024591.db2.gz GOKUUOBCUBJLKK-UHFFFAOYSA-N 0 0 318.427 2.731 50 0 DFAARN O=C(N[C@H](c1cc2ccccc2o1)C1CC1)[C@@H]1CSC(=O)N1 ZINC000073566623 426027451 /nfs/dbraw/zinc/02/74/51/426027451.db2.gz JLJJIBZAYGQOKI-FZMZJTMJSA-N 0 0 316.382 2.825 50 0 DFAARN Cc1nc(CNC(=O)NCc2cccc(N(C)C)c2)sc1C ZINC000073941063 426035385 /nfs/dbraw/zinc/03/53/85/426035385.db2.gz JKFNIFJWKUVYGK-UHFFFAOYSA-N 0 0 318.446 2.825 50 0 DFAARN C[C@H]1CCN(C(=O)CNCC(F)(F)F)[C@@H](c2ccco2)C1 ZINC000075389776 426071763 /nfs/dbraw/zinc/07/17/63/426071763.db2.gz YGOZAYWRIVMBRJ-WDEREUQCSA-N 0 0 304.312 2.731 50 0 DFAARN CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2cnn(C)c2)C1 ZINC000074474948 426051460 /nfs/dbraw/zinc/05/14/60/426051460.db2.gz CXRIBJJGNDIJFJ-OCCSQVGLSA-N 0 0 310.467 2.798 50 0 DFAARN CCN1CCN(C(=O)NCc2ccc(-c3cccnc3)cc2)CC1 ZINC000074915851 426058886 /nfs/dbraw/zinc/05/88/86/426058886.db2.gz SCWZMHHUFHTQQG-UHFFFAOYSA-N 0 0 324.428 2.596 50 0 DFAARN COc1ccccc1CC(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000074983679 426059434 /nfs/dbraw/zinc/05/94/34/426059434.db2.gz LSPSEIJUJJXQEC-UHFFFAOYSA-N 0 0 324.380 2.785 50 0 DFAARN Cc1ccc(C(=O)NCCCc2cccc(Cl)c2)c(=O)[nH]1 ZINC000075126030 426063421 /nfs/dbraw/zinc/06/34/21/426063421.db2.gz UXZWWLTTZBKVBD-UHFFFAOYSA-N 0 0 304.777 2.699 50 0 DFAARN Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c(=O)[nH]1 ZINC000075119528 426063840 /nfs/dbraw/zinc/06/38/40/426063840.db2.gz FBLYMQQAORAICK-UHFFFAOYSA-N 0 0 300.333 2.627 50 0 DFAARN CC(C)c1nc(CN2CCCC[C@H]2Cn2cncn2)cs1 ZINC000075131969 426063895 /nfs/dbraw/zinc/06/38/95/426063895.db2.gz DHUDMTLHRFKPNZ-AWEZNQCLSA-N 0 0 305.451 2.913 50 0 DFAARN Cc1cnn(CCNCc2coc(-c3ccc(F)c(F)c3)n2)c1 ZINC000075132974 426063936 /nfs/dbraw/zinc/06/39/36/426063936.db2.gz ITBIBCWNVFFAPX-UHFFFAOYSA-N 0 0 318.327 2.915 50 0 DFAARN Cc1ccc([C@@H](O)CN2CCc3c(ncn3C3CC3)C2)cc1C ZINC000075132621 426064187 /nfs/dbraw/zinc/06/41/87/426064187.db2.gz YKPQPODZBCHXAO-IBGZPJMESA-N 0 0 311.429 2.927 50 0 DFAARN O=C(Cc1cccc(Cl)c1)NCC[S@](=O)c1ccccc1 ZINC000075136921 426064377 /nfs/dbraw/zinc/06/43/77/426064377.db2.gz FYYKMFVYYUEHIB-OAQYLSRUSA-N 0 0 321.829 2.807 50 0 DFAARN Cc1nnc(C2CCN(C(=O)/C=C/c3ccco3)CC2)s1 ZINC000075149270 426064422 /nfs/dbraw/zinc/06/44/22/426064422.db2.gz SXJKOQSOQDYYOP-SNAWJCMRSA-N 0 0 303.387 2.859 50 0 DFAARN O=C(CCn1cncn1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000075138604 426064655 /nfs/dbraw/zinc/06/46/55/426064655.db2.gz PWJRIOGABICREF-UHFFFAOYSA-N 0 0 315.764 2.751 50 0 DFAARN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(OC)c1 ZINC000075139295 426064941 /nfs/dbraw/zinc/06/49/41/426064941.db2.gz XNBXPDMJNRFOOQ-OAHLLOKOSA-N 0 0 319.405 2.560 50 0 DFAARN Cc1cccc(NC2CCN(C(=O)Nc3ccncc3)CC2)n1 ZINC000075141910 426065021 /nfs/dbraw/zinc/06/50/21/426065021.db2.gz SWNYTVUKJBIIBX-UHFFFAOYSA-N 0 0 311.389 2.893 50 0 DFAARN Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(Cl)nc1Cl ZINC000075137303 426065164 /nfs/dbraw/zinc/06/51/64/426065164.db2.gz GNYWOAILIZAVSX-ZETCQYMHSA-N 0 0 313.188 2.921 50 0 DFAARN CSCC(=O)O[C@H](C)c1c(F)cccc1N1CCOCC1 ZINC000075146083 426065420 /nfs/dbraw/zinc/06/54/20/426065420.db2.gz FVDWVBBNNWGMJB-LLVKDONJSA-N 0 0 313.394 2.630 50 0 DFAARN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CC=CCC1 ZINC000075170248 426065945 /nfs/dbraw/zinc/06/59/45/426065945.db2.gz ZTTAXHJEPCJXKZ-WFASDCNBSA-N 0 0 313.319 2.909 50 0 DFAARN CC(C)(C)[C@@H](O)CCNC(=O)c1ccccc1Br ZINC000075157766 426066000 /nfs/dbraw/zinc/06/60/00/426066000.db2.gz HEIADQLZXSXZHL-LBPRGKRZSA-N 0 0 314.223 2.976 50 0 DFAARN COc1c([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c(C)nn1C ZINC000072234288 426010244 /nfs/dbraw/zinc/01/02/44/426010244.db2.gz MNEKYGDNGCTPFC-ZIAGYGMSSA-N 0 0 303.406 2.757 50 0 DFAARN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nc(C)c(C)o1 ZINC000072268593 426010780 /nfs/dbraw/zinc/01/07/80/426010780.db2.gz MQGMMQFMMHNLIB-GJZGRUSLSA-N 0 0 305.422 2.657 50 0 DFAARN C[C@H](NCc1nc(-c2ccsc2)no1)[C@H](C)n1cccn1 ZINC000072269731 426010859 /nfs/dbraw/zinc/01/08/59/426010859.db2.gz PSYBJNQFHFDRGD-QWRGUYRKSA-N 0 0 303.391 2.734 50 0 DFAARN COc1c([C@@H]2CCCN2Cc2cnc(C)s2)c(C)nn1C ZINC000072253787 426011040 /nfs/dbraw/zinc/01/10/40/426011040.db2.gz UXRLYAJGIKUGGI-ZDUSSCGKSA-N 0 0 306.435 2.839 50 0 DFAARN CCc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)s1 ZINC000072235297 426011128 /nfs/dbraw/zinc/01/11/28/426011128.db2.gz BYWBGGLQRBBDSP-CYBMUJFWSA-N 0 0 318.446 2.996 50 0 DFAARN Cc1nnc(CN(C)C(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000072271063 426011583 /nfs/dbraw/zinc/01/15/83/426011583.db2.gz OKTSQEWINBHCJC-UHFFFAOYSA-N 0 0 313.188 2.703 50 0 DFAARN COc1ccc(NC(=O)N[C@H]2CCC[C@@H]2n2ccnc2)cc1 ZINC000072270814 426011598 /nfs/dbraw/zinc/01/15/98/426011598.db2.gz RTGSTIDKYXYQKJ-GJZGRUSLSA-N 0 0 300.362 2.807 50 0 DFAARN Cc1nc([C@H]2CCCN(C(=O)CCCc3ccccn3)C2)no1 ZINC000072274118 426011668 /nfs/dbraw/zinc/01/16/68/426011668.db2.gz ACBJYIYTRJFYNA-AWEZNQCLSA-N 0 0 314.389 2.502 50 0 DFAARN Cc1nc([C@@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)no1 ZINC000072274115 426011682 /nfs/dbraw/zinc/01/16/82/426011682.db2.gz GKURDVLEMDGLOV-GXTWGEPZSA-N 0 0 302.378 2.537 50 0 DFAARN CCNC(=O)COc1ccc(/C=C2\C(=O)Oc3ccccc32)cc1 ZINC000072280599 426011960 /nfs/dbraw/zinc/01/19/60/426011960.db2.gz RLGAAAGDDZKDMM-WJDWOHSUSA-N 0 0 323.348 2.661 50 0 DFAARN Cc1cscc1NC(=O)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000126256024 426011984 /nfs/dbraw/zinc/01/19/84/426011984.db2.gz KTHNABRNVHXHSB-NSHDSACASA-N 0 0 303.387 2.610 50 0 DFAARN COCc1ccccc1C(=O)N[C@@H](C)c1c(C)nn(C)c1C ZINC000072281005 426012172 /nfs/dbraw/zinc/01/21/72/426012172.db2.gz DCABBYJACZCNRD-NSHDSACASA-N 0 0 301.390 2.674 50 0 DFAARN CCc1nc([C@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)no1 ZINC000072274120 426012221 /nfs/dbraw/zinc/01/22/21/426012221.db2.gz SZVPCXDICNHFHF-KGLIPLIRSA-N 0 0 316.405 2.791 50 0 DFAARN Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)no1 ZINC000072283293 426012369 /nfs/dbraw/zinc/01/23/69/426012369.db2.gz OXRJSZBONJZVNA-LLVKDONJSA-N 0 0 304.350 2.509 50 0 DFAARN O=c1ccn(Cc2cnn(-c3ccccc3)n2)c2ccccc12 ZINC000072294836 426012766 /nfs/dbraw/zinc/01/27/66/426012766.db2.gz VISDVLGPQACAES-UHFFFAOYSA-N 0 0 302.337 2.631 50 0 DFAARN C[C@H]1CN(C(=O)c2cnc3c(F)c(Cl)ccc3c2O)CCO1 ZINC000072289244 426012872 /nfs/dbraw/zinc/01/28/72/426012872.db2.gz WALJBGDNYBHLRU-QMMMGPOBSA-N 0 0 324.739 2.594 50 0 DFAARN Cc1cccc(NC(=O)Cc2cccc3cccnc32)c1C(N)=O ZINC000072290609 426012976 /nfs/dbraw/zinc/01/29/76/426012976.db2.gz LPEVSEYFHTUDPF-UHFFFAOYSA-N 0 0 319.364 2.823 50 0 DFAARN CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1nc[nH]n1 ZINC000072294462 426013102 /nfs/dbraw/zinc/01/31/02/426013102.db2.gz SDILLEHHQAUJSK-LBPRGKRZSA-N 0 0 324.837 2.959 50 0 DFAARN Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[nH]n1 ZINC000072291754 426013119 /nfs/dbraw/zinc/01/31/19/426013119.db2.gz AGZHNYHFKMLGHR-ZDUSSCGKSA-N 0 0 315.348 2.592 50 0 DFAARN Cc1cccnc1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000072288295 426013201 /nfs/dbraw/zinc/01/32/01/426013201.db2.gz KNNHNFDLWLZQOF-CYBMUJFWSA-N 0 0 317.295 2.800 50 0 DFAARN Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)n1 ZINC000072298817 426013738 /nfs/dbraw/zinc/01/37/38/426013738.db2.gz ZJAMLJVHROLHPO-QWHCGFSZSA-N 0 0 304.419 2.615 50 0 DFAARN CCO[C@@H]1C[C@H](NC(=O)COc2ccccc2C)C12CCC2 ZINC000072295474 426013897 /nfs/dbraw/zinc/01/38/97/426013897.db2.gz FIVFXGOULJDQBT-JKSUJKDBSA-N 0 0 303.402 2.838 50 0 DFAARN CCCc1ncc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)s1 ZINC000072296639 426013996 /nfs/dbraw/zinc/01/39/96/426013996.db2.gz HTMSLERBHMDVMV-NSHDSACASA-N 0 0 320.418 2.807 50 0 DFAARN CC[C@H](NC(=O)Nc1nnc(C2CC2)s1)c1cnn(CC)c1 ZINC000072305860 426014111 /nfs/dbraw/zinc/01/41/11/426014111.db2.gz RACNIHFJRSLZDQ-NSHDSACASA-N 0 0 320.422 2.905 50 0 DFAARN CCOC(=O)C1CCN(C(=O)N2CCc3sccc3C2)CC1 ZINC000072306272 426014301 /nfs/dbraw/zinc/01/43/01/426014301.db2.gz YANXRTCQFJYWKS-UHFFFAOYSA-N 0 0 322.430 2.501 50 0 DFAARN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccn(C)c1 ZINC000108387013 426015151 /nfs/dbraw/zinc/01/51/51/426015151.db2.gz XQMPYSMIYUJVKS-KBPBESRZSA-N 0 0 307.438 2.855 50 0 DFAARN COc1cc2c(cc1CNC(=O)c1cnn(C(C)C)c1)CCC2 ZINC000077519987 426137960 /nfs/dbraw/zinc/13/79/60/426137960.db2.gz ZEAVYWWQKDBNOE-UHFFFAOYSA-N 0 0 313.401 2.891 50 0 DFAARN C[C@H]1CN(C(=O)Cc2cccs2)c2ccccc2NC1=O ZINC000076019084 426094335 /nfs/dbraw/zinc/09/43/35/426094335.db2.gz HDPWBJAQLBPVHL-NSHDSACASA-N 0 0 300.383 2.912 50 0 DFAARN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc[n+]2[O-])C12CCCCC2 ZINC000076022960 426095282 /nfs/dbraw/zinc/09/52/82/426095282.db2.gz TVNAKOGVKUNFTP-HOTGVXAUSA-N 0 0 318.417 2.520 50 0 DFAARN Cc1nc(CC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cs1 ZINC000076044377 426095369 /nfs/dbraw/zinc/09/53/69/426095369.db2.gz JIAWTWWKUFPXGC-GFCCVEGCSA-N 0 0 320.418 2.864 50 0 DFAARN Cc1nnc([C@H]2CN(CCc3c(F)cccc3Cl)CCO2)[nH]1 ZINC000076048712 426095572 /nfs/dbraw/zinc/09/55/72/426095572.db2.gz QEWRMTRCUPNSEJ-CQSZACIVSA-N 0 0 324.787 2.522 50 0 DFAARN COc1ccc(OC2CCN(C(=O)c3ccc[nH]3)CC2)cc1 ZINC000077517366 426138031 /nfs/dbraw/zinc/13/80/31/426138031.db2.gz YAPLSEUWZSECBU-UHFFFAOYSA-N 0 0 300.358 2.707 50 0 DFAARN CC(C)c1ccsc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000076052806 426096131 /nfs/dbraw/zinc/09/61/31/426096131.db2.gz JPSRUAVYDMAXQE-UKRRQHHQSA-N 0 0 322.474 2.664 50 0 DFAARN CC1CCN(C(=O)c2ccc(NC[C@H]3CCC[C@H]3O)nc2)CC1 ZINC000076061416 426096190 /nfs/dbraw/zinc/09/61/90/426096190.db2.gz GUVQPYIAWAYGGT-GDBMZVCRSA-N 0 0 317.433 2.527 50 0 DFAARN C[C@@H](CCc1cccn1C)Nc1ncc(C(N)=O)cc1Cl ZINC000076064121 426096869 /nfs/dbraw/zinc/09/68/69/426096869.db2.gz MLZFHHFQFGPXRP-JTQLQIEISA-N 0 0 306.797 2.606 50 0 DFAARN CCS[C@H]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2)C1 ZINC000076067360 426097370 /nfs/dbraw/zinc/09/73/70/426097370.db2.gz PJQGQGZNUPGTND-GJZGRUSLSA-N 0 0 317.462 2.768 50 0 DFAARN Brc1ccc(-c2nc(Cn3ccnn3)co2)cc1 ZINC000128020379 426097435 /nfs/dbraw/zinc/09/74/35/426097435.db2.gz VVMRXFIPRUKWDX-UHFFFAOYSA-N 0 0 305.135 2.744 50 0 DFAARN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cn2ccccc2=O)o1 ZINC000076068543 426097519 /nfs/dbraw/zinc/09/75/19/426097519.db2.gz ZVLHUZMPNSRSAR-ZFWWWQNUSA-N 0 0 314.385 2.750 50 0 DFAARN Cc1cc(NC(=O)N([C@H](C)C2CC2)C2CC2)ccc1C(N)=O ZINC000076070369 426097867 /nfs/dbraw/zinc/09/78/67/426097867.db2.gz AONABACPSCXHIF-LLVKDONJSA-N 0 0 301.390 2.889 50 0 DFAARN CO[C@H](CNC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1 ZINC000076067322 426098493 /nfs/dbraw/zinc/09/84/93/426098493.db2.gz QSFQQTKXKJKOOI-CQSZACIVSA-N 0 0 319.792 2.669 50 0 DFAARN Cc1ccc(-c2nc(CNC(=O)c3ccc(C)[nH]c3=O)co2)cc1 ZINC000076091487 426098749 /nfs/dbraw/zinc/09/87/49/426098749.db2.gz UUUPAOUPEGKLHV-UHFFFAOYSA-N 0 0 323.352 2.577 50 0 DFAARN CN(CC(C)(C)CNC(=O)C1CCCC1)C(=O)C1CCCC1 ZINC000076094606 426099539 /nfs/dbraw/zinc/09/95/39/426099539.db2.gz AHFNROHUGKNRMQ-UHFFFAOYSA-N 0 0 308.466 2.968 50 0 DFAARN COCC(=O)Nc1cccc(-n2ccnc2-c2ccncc2)c1C ZINC000077525354 426138172 /nfs/dbraw/zinc/13/81/72/426138172.db2.gz NPTISMWYPJIEFX-UHFFFAOYSA-N 0 0 322.368 2.828 50 0 DFAARN COc1ccccc1NC(=O)NC[C@](C)(O)c1ccsc1 ZINC000077512488 426138187 /nfs/dbraw/zinc/13/81/87/426138187.db2.gz JGIKKXLCMPPUFK-HNNXBMFYSA-N 0 0 306.387 2.786 50 0 DFAARN CCN(Cc1ccccc1)C(=O)C(=O)N(C)Cc1ccccc1 ZINC000170370636 426138191 /nfs/dbraw/zinc/13/81/91/426138191.db2.gz FLCNRHAOJVWSRA-UHFFFAOYSA-N 0 0 310.397 2.694 50 0 DFAARN CCS[C@@H]1CC[C@@H](NC(=O)NC[C@H](O)c2cccs2)C1 ZINC000076475595 426112410 /nfs/dbraw/zinc/11/24/10/426112410.db2.gz IZOHEXZYKGSMPR-UTUOFQBUSA-N 0 0 314.476 2.755 50 0 DFAARN CCC1(CNS(=O)(=O)Cc2c(F)cccc2F)CCC1 ZINC000164356878 426112733 /nfs/dbraw/zinc/11/27/33/426112733.db2.gz SBXOUQBBOYAYAG-UHFFFAOYSA-N 0 0 303.374 2.965 50 0 DFAARN OC1(CNc2ccc3c(Cl)ccnc3c2F)CCOCC1 ZINC000077217620 426123828 /nfs/dbraw/zinc/12/38/28/426123828.db2.gz MSPXTLWPCTZTFP-UHFFFAOYSA-N 0 0 310.756 2.981 50 0 DFAARN CCN(Cc1ccccc1)C(=O)[C@]1(c2ccccc2)C[C@@H]1CO ZINC000077272644 426125339 /nfs/dbraw/zinc/12/53/39/426125339.db2.gz SRPLDSLLBYXJSS-QUCCMNQESA-N 0 0 309.409 2.985 50 0 in-vitro DFAARN Cc1[nH]ccc1C(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128626073 426125666 /nfs/dbraw/zinc/12/56/66/426125666.db2.gz MWAXNEMAIRCVEZ-MRXNPFEDSA-N 0 0 302.349 2.984 50 0 DFAARN Cc1[nH]ccc1C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128625815 426126007 /nfs/dbraw/zinc/12/60/07/426126007.db2.gz MWAXNEMAIRCVEZ-INIZCTEOSA-N 0 0 302.349 2.984 50 0 DFAARN Cc1ccccc1N1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000077321411 426127779 /nfs/dbraw/zinc/12/77/79/426127779.db2.gz CURMMEUXUDANOA-IBGZPJMESA-N 0 0 324.424 2.767 50 0 DFAARN Cc1noc2ncnc(N(C)Cc3ccc(-n4cccn4)cc3)c12 ZINC000077320861 426128204 /nfs/dbraw/zinc/12/82/04/426128204.db2.gz XOJCLBYIHNOJMW-UHFFFAOYSA-N 0 0 320.356 2.748 50 0 DFAARN CC(C)n1cc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)cn1 ZINC000077353308 426129283 /nfs/dbraw/zinc/12/92/83/426129283.db2.gz AYUNWYVWYBLZLP-QGZVFWFLSA-N 0 0 323.400 2.832 50 0 DFAARN CN1CCCN(Cc2noc(C3CC3)n2)c2cc(F)ccc21 ZINC000077360177 426129434 /nfs/dbraw/zinc/12/94/34/426129434.db2.gz TXRHSVXGHXRKLW-UHFFFAOYSA-N 0 0 302.353 2.933 50 0 DFAARN COC(=O)CCCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000077375019 426130407 /nfs/dbraw/zinc/13/04/07/426130407.db2.gz ZLWARZWLNTVMGR-UHFFFAOYSA-N 0 0 319.401 2.708 50 0 DFAARN O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@H]1c1ccccn1 ZINC000077376048 426130834 /nfs/dbraw/zinc/13/08/34/426130834.db2.gz VJEOXZLXXIWZRP-INIZCTEOSA-N 0 0 322.368 2.897 50 0 DFAARN CCCc1n[nH]cc1C(=O)N1CCC([C@@H](O)CC(C)C)CC1 ZINC000077439977 426134178 /nfs/dbraw/zinc/13/41/78/426134178.db2.gz ISFWHJKVWFRTPC-INIZCTEOSA-N 0 0 307.438 2.621 50 0 DFAARN COc1cccc([C@@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)c1 ZINC000077487902 426137113 /nfs/dbraw/zinc/13/71/13/426137113.db2.gz WBWBHUDDIWWXNN-KRWDZBQOSA-N 0 0 322.368 2.944 50 0 DFAARN CC1(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CCOCC1 ZINC000075403251 426073015 /nfs/dbraw/zinc/07/30/15/426073015.db2.gz ADZJCRTUDHZFMO-UHFFFAOYSA-N 0 0 321.801 2.574 50 0 DFAARN Cn1c(CCNC(=O)[C@@H]2C[C@@H]2C2CCC2)nc2ccc(F)cc21 ZINC000170020865 426137471 /nfs/dbraw/zinc/13/74/71/426137471.db2.gz DDGRRFVAPXIDOB-ZIAGYGMSSA-N 0 0 315.392 2.807 50 0 DFAARN O=C(Nc1ccccc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000075497924 426074594 /nfs/dbraw/zinc/07/45/94/426074594.db2.gz FVASBLFZIWZGPJ-CYBMUJFWSA-N 0 0 323.824 2.526 50 0 DFAARN Cc1ccc(N2CC[C@@H](NC(=O)C3CCCC3)C2=O)cc1C ZINC000075521469 426075635 /nfs/dbraw/zinc/07/56/35/426075635.db2.gz CNPJTYYAOPUNBA-MRXNPFEDSA-N 0 0 300.402 2.715 50 0 DFAARN COCCCn1ccc(NC(=O)N(C)[C@@H](C)c2ccccn2)n1 ZINC000077514285 426137559 /nfs/dbraw/zinc/13/75/59/426137559.db2.gz DRYGHOWPZRMBRT-ZDUSSCGKSA-N 0 0 317.393 2.540 50 0 DFAARN Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)c(SC(F)(F)F)c1 ZINC000075582030 426078809 /nfs/dbraw/zinc/07/88/09/426078809.db2.gz WKFPEBQIZWIKBX-SECBINFHSA-N 0 0 318.320 2.824 50 0 DFAARN Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1noc(C2CC2)n1 ZINC000075605241 426078854 /nfs/dbraw/zinc/07/88/54/426078854.db2.gz IINFEEDLANTBIO-LLVKDONJSA-N 0 0 321.812 2.979 50 0 DFAARN O=C(c1c[nH]c(=O)c(Cl)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000077535148 426139124 /nfs/dbraw/zinc/13/91/24/426139124.db2.gz CMUFNOOYSFZREI-JTQLQIEISA-N 0 0 320.751 2.797 50 0 DFAARN CC[C@]1(C)CN(C(=O)N[C@H]2CCOc3ccccc32)CCO1 ZINC000170604071 426139394 /nfs/dbraw/zinc/13/93/94/426139394.db2.gz UKNQANXCOVPVEC-WMLDXEAASA-N 0 0 304.390 2.721 50 0 DFAARN Cc1cncc(/C=C/C(=O)N2CCc3ccccc3[C@H]2CO)c1 ZINC000170599351 426139419 /nfs/dbraw/zinc/13/94/19/426139419.db2.gz FWTPPFBLOBSWPO-IPLHWJFFSA-N 0 0 308.381 2.522 50 0 DFAARN CC[C@@]1(CO)CCCN(C(=O)CCc2ccccc2OC)C1 ZINC000170601368 426139506 /nfs/dbraw/zinc/13/95/06/426139506.db2.gz LOZBUTPOZWDRPR-GOSISDBHSA-N 0 0 305.418 2.639 50 0 DFAARN CCc1nccn1[C@H]1CCCN(C(=O)c2ccnc(F)c2F)C1 ZINC000170608006 426139939 /nfs/dbraw/zinc/13/99/39/426139939.db2.gz LAJQWSMVBMIICN-NSHDSACASA-N 0 0 320.343 2.596 50 0 DFAARN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC000170609888 426139989 /nfs/dbraw/zinc/13/99/89/426139989.db2.gz WRQTUEVRKVIXLE-OAHLLOKOSA-N 0 0 315.417 2.863 50 0 DFAARN COc1cccc(CNc2nnc(Cc3ccccc3F)o2)n1 ZINC000170611022 426140083 /nfs/dbraw/zinc/14/00/83/426140083.db2.gz FJDPGEMBONCMNE-UHFFFAOYSA-N 0 0 314.320 2.815 50 0 DFAARN CCn1nc(C)c(NC(=O)N2CCC[C@@]2(CO)CC(C)C)c1C ZINC000170608498 426140286 /nfs/dbraw/zinc/14/02/86/426140286.db2.gz LYCZJHGROFRPNH-KRWDZBQOSA-N 0 0 322.453 2.925 50 0 DFAARN COc1cccc(C(=O)Nc2nccn2-c2ccccc2)c1O ZINC000170614313 426140893 /nfs/dbraw/zinc/14/08/93/426140893.db2.gz LSPFVEFYMVAAFX-UHFFFAOYSA-N 0 0 309.325 2.839 50 0 DFAARN CCOC(=O)c1nnc2ccccc2c1NCc1cccnc1 ZINC000077898940 426152257 /nfs/dbraw/zinc/15/22/57/426152257.db2.gz FHOKOLLRTOJKLA-UHFFFAOYSA-N 0 0 308.341 2.814 50 0 DFAARN Cn1ncc(NC2CCC(C)(C)CC2)c(Br)c1=O ZINC000078335850 426166047 /nfs/dbraw/zinc/16/60/47/426166047.db2.gz YGHATLSHHOERAW-UHFFFAOYSA-N 0 0 314.227 2.924 50 0 DFAARN Cc1cc(NC(=O)NCCNC(=O)OC(C)(C)C)ccc1F ZINC000078402643 426168171 /nfs/dbraw/zinc/16/81/71/426168171.db2.gz YDGNLRXZFDNTBM-UHFFFAOYSA-N 0 0 311.357 2.780 50 0 DFAARN C[C@H](CNC(=O)Cc1ccccc1O)COCc1ccccc1 ZINC000078394375 426168258 /nfs/dbraw/zinc/16/82/58/426168258.db2.gz KRKCGUKTBBGJJW-OAHLLOKOSA-N 0 0 313.397 2.904 50 0 DFAARN Cc1ncc(COC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)s1 ZINC000078445822 426170063 /nfs/dbraw/zinc/17/00/63/426170063.db2.gz JOHBIIQEUHASII-QMMMGPOBSA-N 0 0 318.354 2.528 50 0 DFAARN CC[C@@H](NC(=O)NCCCc1nc(C)no1)c1nc(C)cs1 ZINC000078518496 426172310 /nfs/dbraw/zinc/17/23/10/426172310.db2.gz WFHXENIFBUSIJS-LLVKDONJSA-N 0 0 323.422 2.526 50 0 DFAARN CCOC(=O)CS[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078610298 426177047 /nfs/dbraw/zinc/17/70/47/426177047.db2.gz QWECDXIRDUIJDH-LBPRGKRZSA-N 0 0 313.806 2.742 50 0 DFAARN O=C(CCc1cccc(Cl)c1)NCc1nncn1C1CC1 ZINC000078603823 426177377 /nfs/dbraw/zinc/17/73/77/426177377.db2.gz LYPWBIRWCRSTMT-UHFFFAOYSA-N 0 0 304.781 2.515 50 0 DFAARN COc1ccc2cc(NC(=O)NCc3ccccn3)ccc2n1 ZINC000171279245 426181608 /nfs/dbraw/zinc/18/16/08/426181608.db2.gz QSSLQSRCFJSPPW-UHFFFAOYSA-N 0 0 308.341 2.960 50 0 DFAARN CCc1nc2ccccc2n1C1CCN(C(=O)NOC)CC1 ZINC000133654407 426183854 /nfs/dbraw/zinc/18/38/54/426183854.db2.gz MARJGZNBBUEDIE-UHFFFAOYSA-N 0 0 302.378 2.507 50 0 DFAARN COCCn1cc(C(=O)Nc2cc(C)n(C)n2)c2ccccc21 ZINC000079501678 426194631 /nfs/dbraw/zinc/19/46/31/426194631.db2.gz MHCJHEZRRJGIPQ-UHFFFAOYSA-N 0 0 312.373 2.582 50 0 DFAARN Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCCNC3=O)cc2c1C ZINC000116745643 426196140 /nfs/dbraw/zinc/19/61/40/426196140.db2.gz MHGWRRNSICHAMQ-MRXNPFEDSA-N 0 0 313.401 2.525 50 0 DFAARN Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cccnc3)n[nH]2)cc1 ZINC000117799821 426223270 /nfs/dbraw/zinc/22/32/70/426223270.db2.gz QLHKTJBTTZSYTH-LBPRGKRZSA-N 0 0 323.356 2.581 50 0 DFAARN Cc1cc(C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)[nH]n1 ZINC000172729221 426230139 /nfs/dbraw/zinc/23/01/39/426230139.db2.gz HIGLKXRFDRQXNF-YOEHRIQHSA-N 0 0 313.401 2.937 50 0 DFAARN COC(=O)c1cc(Br)c(N)c(Br)c1 ZINC000016124430 277149046 /nfs/dbraw/zinc/14/90/46/277149046.db2.gz CEKVGQOFHYOXSE-UHFFFAOYSA-N 0 0 308.957 2.580 50 0 DFAARN O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCCc2ccccc21 ZINC000150980978 426270499 /nfs/dbraw/zinc/27/04/99/426270499.db2.gz BVVAWMBBESNERM-UHFFFAOYSA-N 0 0 322.343 2.999 50 0 DFAARN Cc1cc(CC(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)[nH]n1 ZINC000119240277 426272143 /nfs/dbraw/zinc/27/21/43/426272143.db2.gz MCUMFKLGQHEXLP-DYVFJYSZSA-N 0 0 315.442 2.966 50 0 DFAARN C[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C[C@H]1O ZINC000089424205 426290436 /nfs/dbraw/zinc/29/04/36/426290436.db2.gz PYOVPMKDIHMXPY-IUODEOHRSA-N 0 0 316.426 2.577 50 0 DFAARN Cc1nn(C)c(C)c1OCc1nc([C@H](C)OCC(C)C)no1 ZINC000089512343 426294187 /nfs/dbraw/zinc/29/41/87/426294187.db2.gz HBJZFJHIVPZANY-LBPRGKRZSA-N 0 0 308.382 2.733 50 0 DFAARN Cc1n[nH]cc1CCCNC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000089544527 426296530 /nfs/dbraw/zinc/29/65/30/426296530.db2.gz CUYHHTQXFIDCAT-UHFFFAOYSA-N 0 0 324.388 2.658 50 0 DFAARN Cc1cc(NC(=O)c2cn(-c3ccccc3)nn2)nc(C(C)C)n1 ZINC000089599294 426297849 /nfs/dbraw/zinc/29/78/49/426297849.db2.gz JWTPHRJBSDIIJA-UHFFFAOYSA-N 0 0 322.372 2.741 50 0 DFAARN Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc(C)on2)n1 ZINC000089595834 426297880 /nfs/dbraw/zinc/29/78/80/426297880.db2.gz UFZABZOZQDPOGJ-UHFFFAOYSA-N 0 0 310.357 2.716 50 0 DFAARN Cc1cc(=O)[nH]c([C@@H](C)Sc2ncnc3ccsc32)n1 ZINC000089599323 426298104 /nfs/dbraw/zinc/29/81/04/426298104.db2.gz XCDPJGPXIHSGOR-MRVPVSSYSA-N 0 0 304.400 2.936 50 0 DFAARN Cc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)c(=O)[nH]1 ZINC000089610868 426298579 /nfs/dbraw/zinc/29/85/79/426298579.db2.gz DKTPSGSTPFYQII-UHFFFAOYSA-N 0 0 312.247 2.676 50 0 DFAARN Cc1cc(N2CCS(=O)(=O)C(C)(C)C2)nc2ccccc12 ZINC000089600768 426299029 /nfs/dbraw/zinc/29/90/29/426299029.db2.gz RHUMIWDSKTZOKJ-UHFFFAOYSA-N 0 0 304.415 2.557 50 0 DFAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ncccc32)c(C)c1 ZINC000089614315 426299248 /nfs/dbraw/zinc/29/92/48/426299248.db2.gz CARPNEDCFCNBTL-CYBMUJFWSA-N 0 0 318.398 2.675 50 0 DFAARN Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)no1 ZINC000089600938 426299407 /nfs/dbraw/zinc/29/94/07/426299407.db2.gz XLSLEVJVTZNSRE-UHFFFAOYSA-N 0 0 314.385 2.931 50 0 DFAARN CCCn1cc(NS(=O)(=O)C[C@H](C)c2ccccc2)cn1 ZINC000089642696 426300222 /nfs/dbraw/zinc/30/02/22/426300222.db2.gz WDSREYITXAVXMB-ZDUSSCGKSA-N 0 0 307.419 2.839 50 0 DFAARN Cc1ccc([C@H]2COCCN2C(=O)c2noc3c2CCCC3)o1 ZINC000089652797 426301036 /nfs/dbraw/zinc/30/10/36/426301036.db2.gz RHOYLZWLZFNDKD-CYBMUJFWSA-N 0 0 316.357 2.669 50 0 DFAARN CN(C)c1nc(CNc2cc(F)ccc2-n2cccn2)ns1 ZINC000089660250 426301291 /nfs/dbraw/zinc/30/12/91/426301291.db2.gz AQCQILWDNIXECE-UHFFFAOYSA-N 0 0 318.381 2.541 50 0 DFAARN Cc1ccc2nc(CNc3cccc(S(C)(=O)=O)c3)cn2c1 ZINC000089668938 426301455 /nfs/dbraw/zinc/30/14/55/426301455.db2.gz SEEZHFLKQDVHOH-UHFFFAOYSA-N 0 0 315.398 2.658 50 0 DFAARN Cc1cccc(-n2cc(C(=O)N3CCC[C@H]3c3ccc[nH]3)nn2)c1 ZINC000089686160 426302314 /nfs/dbraw/zinc/30/23/14/426302314.db2.gz WDSPTWKAJCVZAA-KRWDZBQOSA-N 0 0 321.384 2.881 50 0 DFAARN Cc1cccc([C@H](C)NC(=O)NC[C@]2(O)CCSC2)c1C ZINC000089686414 426302458 /nfs/dbraw/zinc/30/24/58/426302458.db2.gz WQRUQKKTXCZNLP-XJKSGUPXSA-N 0 0 308.447 2.532 50 0 DFAARN COC(=O)c1cccc(CNC(=O)NCc2sccc2C)c1 ZINC000089702048 426303211 /nfs/dbraw/zinc/30/32/11/426303211.db2.gz GCMAZRPJVLKCLQ-UHFFFAOYSA-N 0 0 318.398 2.843 50 0 DFAARN Cc1cnn(CCNC(=O)c2cccnc2SC(C)C)c1 ZINC000089702488 426303373 /nfs/dbraw/zinc/30/33/73/426303373.db2.gz GDQHXNQIRVLSKG-UHFFFAOYSA-N 0 0 304.419 2.517 50 0 DFAARN Cc1ccn2ncc(C(=O)N[C@H]3CC[C@H]3c3ccccc3)c2n1 ZINC000089700847 426303589 /nfs/dbraw/zinc/30/35/89/426303589.db2.gz GJXJBAZFZXXPPH-HOCLYGCPSA-N 0 0 306.369 2.714 50 0 DFAARN Cc1nc(C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cs1 ZINC000089709036 426304039 /nfs/dbraw/zinc/30/40/39/426304039.db2.gz FSEZMOONHORTQM-VIFPVBQESA-N 0 0 301.371 2.687 50 0 DFAARN Cc1noc(CCNC(=O)c2cccc(C(F)(F)F)c2F)n1 ZINC000089721136 426304234 /nfs/dbraw/zinc/30/42/34/426304234.db2.gz RDTXTIAXNUQPLO-UHFFFAOYSA-N 0 0 317.242 2.508 50 0 DFAARN Cc1cn2c(CN(C)C(=O)c3oc(C)nc3C)c(C)nc2s1 ZINC000089742335 426305748 /nfs/dbraw/zinc/30/57/48/426305748.db2.gz YBWOBUNECDJRHL-UHFFFAOYSA-N 0 0 318.402 2.890 50 0 DFAARN OCC[C@@H]1CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000089768326 426306943 /nfs/dbraw/zinc/30/69/43/426306943.db2.gz SCHLWXDLEFHYKH-JTQLQIEISA-N 0 0 302.187 2.793 50 0 DFAARN Cc1cc(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)n(C)n1 ZINC000089763717 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Cn1ccc2c1cccc2C(=O)NCc1ccc2c(c1)OCO2 ZINC000079488917 426193777 /nfs/dbraw/zinc/19/37/77/426193777.db2.gz UPJMTHMNMKSXHY-UHFFFAOYSA-N 0 0 308.337 2.837 50 0 DFAARN O=C(NCc1ccco1)[C@H]1CCCN1c1ncccc1Cl ZINC000134900046 426199674 /nfs/dbraw/zinc/19/96/74/426199674.db2.gz KDJSFCQNNZCBAJ-CYBMUJFWSA-N 0 0 305.765 2.613 50 0 DFAARN Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cccnc3)n[nH]2)cc1 ZINC000117799818 426223411 /nfs/dbraw/zinc/22/34/11/426223411.db2.gz QLHKTJBTTZSYTH-GFCCVEGCSA-N 0 0 323.356 2.581 50 0 DFAARN CC(C)COc1cncc(N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000151043569 426273905 /nfs/dbraw/zinc/27/39/05/426273905.db2.gz MMGXWGNQCGQBLE-RHSMWYFYSA-N 0 0 305.422 2.643 50 0 DFAARN Cc1cc(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)[nH]n1 ZINC000172729219 426230932 /nfs/dbraw/zinc/23/09/32/426230932.db2.gz HIGLKXRFDRQXNF-RHSMWYFYSA-N 0 0 313.401 2.937 50 0 DFAARN Cc1ccc(C)c(CC(=O)Nc2sccc2S(C)(=O)=O)c1 ZINC000118688386 426241446 /nfs/dbraw/zinc/24/14/46/426241446.db2.gz UGRXLKHTBKEHJG-UHFFFAOYSA-N 0 0 323.439 2.950 50 0 DFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2F)cc1 ZINC000084847522 426245773 /nfs/dbraw/zinc/24/57/73/426245773.db2.gz KBLAJUBNCFDTIE-UHFFFAOYSA-N 0 0 322.361 2.893 50 0 DFAARN CC(C)c1nnc(CN(C[C@H]2CCCO2)C2CCCC2)n1C ZINC000173837782 426248533 /nfs/dbraw/zinc/24/85/33/426248533.db2.gz STIMSEHDLIWNLB-OAHLLOKOSA-N 0 0 306.454 2.862 50 0 DFAARN C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCC(=O)[O-])CC1 ZINC000173972899 426249792 /nfs/dbraw/zinc/24/97/92/426249792.db2.gz SKXXARMREXDQGM-CYBMUJFWSA-N 0 0 310.825 2.883 50 0 DFAARN COC(CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)OC ZINC000118975487 426253450 /nfs/dbraw/zinc/25/34/50/426253450.db2.gz VFDZLYKPNNBUSC-CYBMUJFWSA-N 0 0 319.323 2.698 50 0 DFAARN COc1ccc(CCNC(=O)Cc2ccc3c(c2)OCC3)cc1 ZINC000085875596 426254885 /nfs/dbraw/zinc/25/48/85/426254885.db2.gz MUJGCVANVJOICC-UHFFFAOYSA-N 0 0 311.381 2.532 50 0 DFAARN Cc1cc(Br)cc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1 ZINC000135347012 426214465 /nfs/dbraw/zinc/21/44/65/426214465.db2.gz RGMJWAHLJBMDKZ-GXFFZTMASA-N 0 0 312.207 2.600 50 0 DFAARN COc1c(F)cc(NC(=O)N[C@H](CO)CC(C)C)cc1F ZINC000117447423 426215432 /nfs/dbraw/zinc/21/54/32/426215432.db2.gz BGASVWGAWSVTLU-JTQLQIEISA-N 0 0 302.321 2.502 50 0 DFAARN COCCN(CC(F)F)C(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000089410465 426289144 /nfs/dbraw/zinc/28/91/44/426289144.db2.gz ZGTVOTLSJJCTGE-CHWSQXEVSA-N 0 0 316.323 2.605 50 0 DFAARN CSc1nsc(NC(=O)N2CCc3ccccc3CC2)n1 ZINC000089496638 426294209 /nfs/dbraw/zinc/29/42/09/426294209.db2.gz KSJVTUCOSVMHRI-UHFFFAOYSA-N 0 0 320.443 2.893 50 0 DFAARN Cc1noc(C)c1CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000089529344 426295682 /nfs/dbraw/zinc/29/56/82/426295682.db2.gz YNYLOLAZTMKTDV-ZDUSSCGKSA-N 0 0 316.332 2.548 50 0 DFAARN Cc1oc(-c2cccs2)nc1C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000089548221 426296568 /nfs/dbraw/zinc/29/65/68/426296568.db2.gz QKSZKMLFPNYCCH-VXGBXAGGSA-N 0 0 320.414 2.945 50 0 DFAARN Cc1c(CNC(=O)c2ccccc2SC(F)F)cnn1C ZINC000089544762 426297073 /nfs/dbraw/zinc/29/70/73/426297073.db2.gz AHOCFYPDFFEYSM-UHFFFAOYSA-N 0 0 311.357 2.973 50 0 DFAARN Cc1c(NC(=O)Nc2cc(Cl)ccc2F)cnn1CCO ZINC000089544794 426297116 /nfs/dbraw/zinc/29/71/16/426297116.db2.gz OSRWRJBXYAQUJP-UHFFFAOYSA-N 0 0 312.732 2.620 50 0 DFAARN CC(=O)C[C@H](C)NC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000089544995 426297157 /nfs/dbraw/zinc/29/71/57/426297157.db2.gz CBEXAORGKMUEBI-JTQLQIEISA-N 0 0 319.792 2.932 50 0 DFAARN CCCn1cc(NS(=O)(=O)C[C@@H](C)c2ccccc2)cn1 ZINC000089642695 426300493 /nfs/dbraw/zinc/30/04/93/426300493.db2.gz WDSREYITXAVXMB-CYBMUJFWSA-N 0 0 307.419 2.839 50 0 DFAARN Cc1ccc(-c2n[nH]cc2[C@@H]2NC(=O)CN2Cc2ccccc2)o1 ZINC000089656135 426301861 /nfs/dbraw/zinc/30/18/61/426301861.db2.gz DKQICRLFFHNISK-GOSISDBHSA-N 0 0 322.368 2.609 50 0 DFAARN Cc1ccccc1-c1nc(CN2C(=O)c3ccccc3C2=O)no1 ZINC000089696893 426302604 /nfs/dbraw/zinc/30/26/04/426302604.db2.gz KSZXHZOKGCXMCK-UHFFFAOYSA-N 0 0 319.320 2.841 50 0 DFAARN Cc1ccccc1[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)C1CC1 ZINC000089689157 426302784 /nfs/dbraw/zinc/30/27/84/426302784.db2.gz FWUTUNYWOVTBQP-SJORKVTESA-N 0 0 302.418 2.858 50 0 DFAARN Cc1ccccc1[C@@H](NC(=O)N1CCNC(=O)CC1)C(C)(C)C ZINC000089689133 426302895 /nfs/dbraw/zinc/30/28/95/426302895.db2.gz DECKXVUQADYGFS-MRXNPFEDSA-N 0 0 317.433 2.614 50 0 DFAARN Cc1nc(CNC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)no1 ZINC000089718378 426303799 /nfs/dbraw/zinc/30/37/99/426303799.db2.gz OGTTZNOLBGHRNN-BJOHPYRUSA-N 0 0 318.352 2.640 50 0 DFAARN Cc1csc(N(C(=O)c2n[nH]c3c2CCCC3)C2CC2)n1 ZINC000089705702 426303829 /nfs/dbraw/zinc/30/38/29/426303829.db2.gz XDAHSIOXMWVPMI-UHFFFAOYSA-N 0 0 302.403 2.863 50 0 DFAARN Cc1cscc1C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000089708899 426304110 /nfs/dbraw/zinc/30/41/10/426304110.db2.gz ZNZGPNOCPFQWLO-AWEZNQCLSA-N 0 0 323.439 2.572 50 0 DFAARN Cc1nnc([C@H]2CCCN2CCC(=O)Nc2cccc(F)c2)o1 ZINC000089736284 426304860 /nfs/dbraw/zinc/30/48/60/426304860.db2.gz DYICSVUOJDAMFE-CQSZACIVSA-N 0 0 318.352 2.683 50 0 DFAARN COc1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cn1 ZINC000089755030 426305804 /nfs/dbraw/zinc/30/58/04/426305804.db2.gz GISYDNQRUZKVIK-UHFFFAOYSA-N 0 0 308.769 2.746 50 0 DFAARN O=C(Cc1ccc(Br)cc1)NCCc1ccc[nH]1 ZINC000089767987 426306757 /nfs/dbraw/zinc/30/67/57/426306757.db2.gz XHZRHLDUILATJF-UHFFFAOYSA-N 0 0 307.191 2.679 50 0 DFAARN CC(C)(CNC(=O)[C@@H]1CCn2ccnc2C1)c1cccc(F)c1 ZINC000089761727 426307003 /nfs/dbraw/zinc/30/70/03/426307003.db2.gz SXHRFIOZRXPXCN-CYBMUJFWSA-N 0 0 315.392 2.679 50 0 DFAARN O=C(NCc1nc[nH]n1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000089764341 426307160 /nfs/dbraw/zinc/30/71/60/426307160.db2.gz VXVNJJOABNQBHQ-GHMZBOCLSA-N 0 0 311.172 2.531 50 0 DFAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)NC1CC=CC1 ZINC000089793084 426308768 /nfs/dbraw/zinc/30/87/68/426308768.db2.gz WLOJEAZODQGPEG-UHFFFAOYSA-N 0 0 316.329 2.523 50 0 DFAARN CC(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000089802046 426310059 /nfs/dbraw/zinc/31/00/59/426310059.db2.gz ZJYVLKNHHRDKPY-DOTOQJQBSA-N 0 0 320.477 2.920 50 0 DFAARN OCCCN(Cc1nc2ccc(F)cc2o1)CC(F)(F)F ZINC000089807279 426310620 /nfs/dbraw/zinc/31/06/20/426310620.db2.gz XPGGKUBHGGREEJ-UHFFFAOYSA-N 0 0 306.259 2.714 50 0 DFAARN O=C(NCc1ccccc1OC1CCC1)c1ccc2nncn2c1 ZINC000089813978 426310662 /nfs/dbraw/zinc/31/06/62/426310662.db2.gz SDBTVBVZFQUXHC-UHFFFAOYSA-N 0 0 322.368 2.591 50 0 DFAARN COc1ccccc1[C@@H](NC(=O)Cc1ccon1)c1ccccn1 ZINC000089849258 426313231 /nfs/dbraw/zinc/31/32/31/426313231.db2.gz UTHKRRPCPNUFFL-GOSISDBHSA-N 0 0 323.352 2.527 50 0 DFAARN CC(C)Cc1noc(CS[C@H]2CCCN(C(C)C)C2=O)n1 ZINC000089856580 426313783 /nfs/dbraw/zinc/31/37/83/426313783.db2.gz LVNMTMJMKHUAQM-LBPRGKRZSA-N 0 0 311.451 2.901 50 0 DFAARN CC(C)COc1ccc(NC(=O)Cn2ccnn2)cc1Cl ZINC000089856393 426313812 /nfs/dbraw/zinc/31/38/12/426313812.db2.gz ODGMTQRJURDYNI-UHFFFAOYSA-N 0 0 308.769 2.605 50 0 DFAARN O=C1Nc2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000089865730 426314522 /nfs/dbraw/zinc/31/45/22/426314522.db2.gz HGRQDOVXHJLWNA-UHFFFAOYSA-N 0 0 324.308 2.701 50 0 DFAARN CC(C)OCc1ccc(CNC(=O)NC2(CO)CCCC2)cc1 ZINC000089887906 426315123 /nfs/dbraw/zinc/31/51/23/426315123.db2.gz OFPJQCLRQNVDGA-UHFFFAOYSA-N 0 0 320.433 2.716 50 0 DFAARN CC(C)Oc1ccc(CNC(=O)N(C)C[C@@H]2CCCO2)cc1F ZINC000089888068 426315658 /nfs/dbraw/zinc/31/56/58/426315658.db2.gz CCQXTKSCCMHAIS-AWEZNQCLSA-N 0 0 324.396 2.933 50 0 DFAARN C[C@@H](CCO)NC(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000089895588 426316188 /nfs/dbraw/zinc/31/61/88/426316188.db2.gz NXHYJCRKKTYMQI-WMLDXEAASA-N 0 0 320.433 2.541 50 0 DFAARN C[C@@H](CNC(=O)N(C)[C@H](C)c1ccco1)CC1(C)OCCO1 ZINC000089895129 426316560 /nfs/dbraw/zinc/31/65/60/426316560.db2.gz OKAPPNBMSFDTBT-CHWSQXEVSA-N 0 0 310.394 2.771 50 0 DFAARN C[C@H](C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)n1cccc1 ZINC000089904961 426317602 /nfs/dbraw/zinc/31/76/02/426317602.db2.gz XYVRROWAUTZGNH-HUUCEWRRSA-N 0 0 323.400 2.849 50 0 DFAARN COc1ccc([C@H](C)NC(=O)N2CCO[C@H](C)[C@@H]2C)cc1F ZINC000089919905 426317974 /nfs/dbraw/zinc/31/79/74/426317974.db2.gz XHSCFXCTHHFJIE-SDDRHHMPSA-N 0 0 310.369 2.714 50 0 DFAARN CC1(C)[C@H](NC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)[C@H]2CCO[C@@H]21 ZINC000089917486 426318081 /nfs/dbraw/zinc/31/80/81/426318081.db2.gz LWMZVJWMTZIHJA-UTSKFRMZSA-N 0 0 314.429 2.903 50 0 DFAARN CC1(C)CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000089919333 426318121 /nfs/dbraw/zinc/31/81/21/426318121.db2.gz OVVOLOBNKMXHJB-HNNXBMFYSA-N 0 0 306.450 2.674 50 0 DFAARN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)c2ccccc2S1 ZINC000089941246 426321035 /nfs/dbraw/zinc/32/10/35/426321035.db2.gz TYXPUHLKDVNWKW-LLVKDONJSA-N 0 0 300.383 2.526 50 0 DFAARN CC[C@H](C)c1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)on1 ZINC000089942349 426321125 /nfs/dbraw/zinc/32/11/25/426321125.db2.gz QBXFIZWKUOYSPD-AZHAFVHUSA-N 0 0 304.390 2.876 50 0 DFAARN CCc1cc(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)n[nH]1 ZINC000121223077 426326147 /nfs/dbraw/zinc/32/61/47/426326147.db2.gz LEUVADAOABTPSW-UHFFFAOYSA-N 0 0 310.394 2.554 50 0 DFAARN O=C(Nc1ccc2n[nH]nc2c1)c1cccnc1N1CCCCC1 ZINC000175831184 426332212 /nfs/dbraw/zinc/33/22/12/426332212.db2.gz IKVBSMWUIMOTBY-UHFFFAOYSA-N 0 0 322.372 2.596 50 0 DFAARN CCc1cc(NC(=O)c2ccc(-c3nnc(C)o3)cc2)nc(C)n1 ZINC000089282835 426284523 /nfs/dbraw/zinc/28/45/23/426284523.db2.gz BWPLYCKHSGSXSE-UHFFFAOYSA-N 0 0 323.356 2.958 50 0 DFAARN CCn1cc(S(=O)(=O)N2CCCSc3ccccc32)cn1 ZINC000089268557 426284772 /nfs/dbraw/zinc/28/47/72/426284772.db2.gz NWZVDKYAOJMQIG-UHFFFAOYSA-N 0 0 323.443 2.594 50 0 DFAARN CCc1noc(CN(C)C(=O)[C@@H](C)OC2CCCCCC2)n1 ZINC000089290050 426286106 /nfs/dbraw/zinc/28/61/06/426286106.db2.gz YIJKINGCLQDJDW-GFCCVEGCSA-N 0 0 309.410 2.718 50 0 DFAARN NC(=O)Cc1ccccc1OCc1csc([C@@H]2CCCO2)n1 ZINC000153622704 426395802 /nfs/dbraw/zinc/39/58/02/426395802.db2.gz ZKUMXOLOXFBJGK-AWEZNQCLSA-N 0 0 318.398 2.601 50 0 DFAARN O=C(NCCn1ccc(C(F)(F)F)n1)Nc1ccc(F)cc1 ZINC000096099037 426396117 /nfs/dbraw/zinc/39/61/17/426396117.db2.gz VMQPAXRQGMYEHN-UHFFFAOYSA-N 0 0 316.258 2.863 50 0 DFAARN CN(C)c1ncc(NC(=O)c2ccccc2Cl)c(N(C)C)n1 ZINC000096098753 426396126 /nfs/dbraw/zinc/39/61/26/426396126.db2.gz 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BWHVKBUNQOKVMQ-SNVBAGLBSA-N 0 0 322.302 2.874 50 0 DFAARN CC(=O)OC(C)(C)C(=O)N1CCS[C@@H](c2ccco2)CC1 ZINC000219418143 426571575 /nfs/dbraw/zinc/57/15/75/426571575.db2.gz JOWBOBATSJALIM-CYBMUJFWSA-N 0 0 311.403 2.628 50 0 DFAARN COCC1(CNC(=O)c2c(OC)cccc2OC)CCCC1 ZINC000219317022 426572959 /nfs/dbraw/zinc/57/29/59/426572959.db2.gz LTOHIEUQDSVNRU-UHFFFAOYSA-N 0 0 307.390 2.640 50 0 DFAARN Cc1cnc(C)nc1N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000219826625 426573792 /nfs/dbraw/zinc/57/37/92/426573792.db2.gz BQQOXJRFWPHIRQ-IAGOWNOFSA-N 0 0 313.401 2.880 50 0 DFAARN CCCO[C@@H]1CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 ZINC000219700956 426574320 /nfs/dbraw/zinc/57/43/20/426574320.db2.gz ZVPKKQKNTWISIA-QGZVFWFLSA-N 0 0 322.424 2.675 50 0 DFAARN COC[C@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)cc1 ZINC000219601418 426574471 /nfs/dbraw/zinc/57/44/71/426574471.db2.gz OAKNICRVBCAXRF-NVXWUHKLSA-N 0 0 302.418 2.832 50 0 DFAARN O=C(c1cc(C(F)F)n[nH]1)N1CCCC[C@H]1CCn1cccn1 ZINC000219790695 426574645 /nfs/dbraw/zinc/57/46/45/426574645.db2.gz PLXQRZHCXOQGNF-NSHDSACASA-N 0 0 323.347 2.629 50 0 DFAARN C[C@@H](Cc1cnccn1)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000219949730 426575116 /nfs/dbraw/zinc/57/51/16/426575116.db2.gz PPPDUVQWZDKCIE-NSHDSACASA-N 0 0 323.318 2.785 50 0 DFAARN CCSc1ccc(C(=O)N2CCC(n3cnnc3)CC2)s1 ZINC000220729289 426576632 /nfs/dbraw/zinc/57/66/32/426576632.db2.gz PQVOWUUICVXWTB-UHFFFAOYSA-N 0 0 322.459 2.929 50 0 DFAARN COc1ccc(-n2cc([C@H](C)NC(=O)CCSC)cn2)cc1 ZINC000220701727 426576771 /nfs/dbraw/zinc/57/67/71/426576771.db2.gz FXWYJLYYMWTIPB-LBPRGKRZSA-N 0 0 319.430 2.811 50 0 DFAARN CC[C@H](NC(=O)C1(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000220662095 426577128 /nfs/dbraw/zinc/57/71/28/426577128.db2.gz VDBFQANWLDVHRH-INIZCTEOSA-N 0 0 313.401 2.728 50 0 DFAARN Cn1c2ccccc2nc1C1CCN(C(=O)c2cnco2)CC1 ZINC000221296364 426578198 /nfs/dbraw/zinc/57/81/98/426578198.db2.gz RMSKXAZVQXLZTD-UHFFFAOYSA-N 0 0 310.357 2.581 50 0 DFAARN COc1ccc([C@H](C)C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000221717300 426579187 /nfs/dbraw/zinc/57/91/87/426579187.db2.gz XQYNYKXMXBKODF-FHLIZLRMSA-N 0 0 305.418 2.679 50 0 DFAARN C[C@H](CNC(=O)CCc1ccc(F)c(F)c1)Oc1cccnc1 ZINC000221242963 426579219 /nfs/dbraw/zinc/57/92/19/426579219.db2.gz LNQJGLIGTWLFRY-GFCCVEGCSA-N 0 0 320.339 2.876 50 0 DFAARN Cc1cc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)ccc1F ZINC000222249778 426581270 /nfs/dbraw/zinc/58/12/70/426581270.db2.gz AEMYFWIRXHQICY-CKEIUWERSA-N 0 0 314.360 2.771 50 0 DFAARN O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222180139 426581446 /nfs/dbraw/zinc/58/14/46/426581446.db2.gz KYSXNVXJRMWWRR-QJPTWQEYSA-N 0 0 315.339 2.683 50 0 DFAARN COc1ccc([C@H](NC(=O)CCC2(C)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000222355218 426583327 /nfs/dbraw/zinc/58/33/27/426583327.db2.gz HWDZEGDRBKZONI-ZQIUZPCESA-N 0 0 318.417 2.599 50 0 DFAARN CN(Cc1noc2c1CCCC2)C(=O)CSc1ccncc1 ZINC000222643323 426583660 /nfs/dbraw/zinc/58/36/60/426583660.db2.gz DDRXXEPYCLHFDC-UHFFFAOYSA-N 0 0 317.414 2.699 50 0 DFAARN COC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccn1 ZINC000222689286 426584752 /nfs/dbraw/zinc/58/47/52/426584752.db2.gz SIXIRDMGZHNFID-CQSZACIVSA-N 0 0 308.740 2.992 50 0 DFAARN O=C(c1cncc(F)c1)N1CCCC[C@H]1CCn1cccn1 ZINC000223241176 426585772 /nfs/dbraw/zinc/58/57/72/426585772.db2.gz LFHQLQOKCMDFAN-HNNXBMFYSA-N 0 0 302.353 2.502 50 0 DFAARN CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2ccc(C)o2)cc1 ZINC000223274326 426586744 /nfs/dbraw/zinc/58/67/44/426586744.db2.gz ANQGRSKMUBVADA-NVXWUHKLSA-N 0 0 315.369 2.789 50 0 DFAARN COC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000223125049 426586758 /nfs/dbraw/zinc/58/67/58/426586758.db2.gz LMDMJACTGNYCJG-HNNXBMFYSA-N 0 0 302.418 2.785 50 0 DFAARN CN(CCCc1nccn1C)C(=O)c1cc2sccc2[nH]1 ZINC000223030664 426586803 /nfs/dbraw/zinc/58/68/03/426586803.db2.gz RVLHGJWTJBWYHX-UHFFFAOYSA-N 0 0 302.403 2.668 50 0 DFAARN CCn1ccnc1CNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000223331681 426588106 /nfs/dbraw/zinc/58/81/06/426588106.db2.gz MRXIUDPUGYHXOP-UHFFFAOYSA-N 0 0 312.417 2.823 50 0 DFAARN COc1ccc2[nH]c(C(=O)N(C)[C@@H](C)Cc3cnccn3)cc2c1 ZINC000223686166 426588911 /nfs/dbraw/zinc/58/89/11/426588911.db2.gz FGIJVFMDTHBEKQ-LBPRGKRZSA-N 0 0 324.384 2.670 50 0 DFAARN O=C(NCc1ccnc(N2CCCCC2)n1)C1CCCCC1 ZINC000224205030 426590906 /nfs/dbraw/zinc/59/09/06/426590906.db2.gz KHQIUGMTGZJSAW-UHFFFAOYSA-N 0 0 302.422 2.663 50 0 DFAARN Cc1cc(C)cc(C(=O)NCc2ccnc(N3CCCC3)n2)c1 ZINC000224199166 426591312 /nfs/dbraw/zinc/59/13/12/426591312.db2.gz VFIXRBMFDHDLMQ-UHFFFAOYSA-N 0 0 310.401 2.624 50 0 DFAARN Cc1cc(C)cc(NC(=O)NCc2nc(C)cc(N(C)C)n2)c1 ZINC000224189234 426592181 /nfs/dbraw/zinc/59/21/81/426592181.db2.gz ZUVBTSUNTIHSRR-UHFFFAOYSA-N 0 0 313.405 2.790 50 0 DFAARN CN(C)c1nccc(CNC(=O)Nc2cccc(Cl)c2)n1 ZINC000224237005 426592857 /nfs/dbraw/zinc/59/28/57/426592857.db2.gz FHXLZYLEXFECHX-UHFFFAOYSA-N 0 0 305.769 2.518 50 0 DFAARN CCCCOc1ccc(C(=O)Nc2cnc(OC)nc2)cc1 ZINC000224280845 426593524 /nfs/dbraw/zinc/59/35/24/426593524.db2.gz OKJPQCGUXROYEJ-UHFFFAOYSA-N 0 0 301.346 2.916 50 0 DFAARN Cc1ccc2oc(C(=O)NC[C@@H](O)CCc3ccccc3)cc2n1 ZINC000273108716 426593958 /nfs/dbraw/zinc/59/39/58/426593958.db2.gz AREASTDWJCFCLI-HNNXBMFYSA-N 0 0 324.380 2.860 50 0 DFAARN Cc1nn(C)cc1CNc1nc2ccccc2nc1N1CCCC1 ZINC000225393910 426599453 /nfs/dbraw/zinc/59/94/53/426599453.db2.gz PTXGZYUOGIEHRT-UHFFFAOYSA-N 0 0 322.416 2.884 50 0 DFAARN Cc1cc(N2CCO[C@@]3(CCOC3)C2)c2ccc(F)c(F)c2n1 ZINC000225409960 426599589 /nfs/dbraw/zinc/59/95/89/426599589.db2.gz HWWFDFCFDKYRFI-KRWDZBQOSA-N 0 0 320.339 2.817 50 0 DFAARN C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000225449240 426600677 /nfs/dbraw/zinc/60/06/77/426600677.db2.gz TYLTUEZLBWWTNC-WRQOLXDDSA-N 0 0 309.450 2.903 50 0 DFAARN CN(CC1(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000225440456 426601120 /nfs/dbraw/zinc/60/11/20/426601120.db2.gz IXFUFGFYIHDMJE-NVXWUHKLSA-N 0 0 316.445 2.911 50 0 DFAARN O=C(CCC1CCCC1)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225469353 426601207 /nfs/dbraw/zinc/60/12/07/426601207.db2.gz ORTGDACWUOSBME-OAHLLOKOSA-N 0 0 303.406 2.817 50 0 DFAARN CC(C)(C)c1cn2nc(N[C@@H]3CCCC[C@H]3C(N)=O)sc2n1 ZINC000225493160 426602869 /nfs/dbraw/zinc/60/28/69/426602869.db2.gz UNBJOYHHVHVSOH-NXEZZACHSA-N 0 0 321.450 2.544 50 0 DFAARN CSc1cccc(NC(=O)NCCCc2nnc[nH]2)c1C ZINC000225477975 426603480 /nfs/dbraw/zinc/60/34/80/426603480.db2.gz DBUSEISWSSPHSS-UHFFFAOYSA-N 0 0 305.407 2.589 50 0 DFAARN CC[C@@H](COC)NC(=O)Nc1ccc(-n2ccc(C)n2)cc1 ZINC000225485302 426603644 /nfs/dbraw/zinc/60/36/44/426603644.db2.gz SMOXFEQKPGHJHC-ZDUSSCGKSA-N 0 0 302.378 2.727 50 0 DFAARN O=C(Nc1ccc(C(=O)NCc2ccncc2)cc1)c1ccoc1 ZINC000225495816 426603995 /nfs/dbraw/zinc/60/39/95/426603995.db2.gz UXBSGGMGLCXZTP-UHFFFAOYSA-N 0 0 321.336 2.857 50 0 DFAARN C[S@](=O)c1ccc(CC(=O)OCCCc2cccnc2)cc1 ZINC000225528000 426605243 /nfs/dbraw/zinc/60/52/43/426605243.db2.gz DHCYXCZWLQNRHI-QFIPXVFZSA-N 0 0 317.410 2.538 50 0 DFAARN COc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000225538692 426605418 /nfs/dbraw/zinc/60/54/18/426605418.db2.gz PSZJGLYCPRMPKQ-NVXWUHKLSA-N 0 0 315.344 2.782 50 0 DFAARN Cc1nc(NC(=O)N2CCCCC[C@H]2c2ccco2)n(C)n1 ZINC000225521845 426605667 /nfs/dbraw/zinc/60/56/67/426605667.db2.gz GZXZZPMNRDRTNX-LBPRGKRZSA-N 0 0 303.366 2.866 50 0 DFAARN CON(C)C(=O)c1ccc(NCc2nccn2C(F)F)cc1 ZINC000225545695 426606164 /nfs/dbraw/zinc/60/61/64/426606164.db2.gz IIRRBFZYJHMAKI-UHFFFAOYSA-N 0 0 310.304 2.524 50 0 DFAARN Cc1ccccc1C[C@@H](CO)NC(=O)[C@@H]1CCCc2cccnc21 ZINC000225526038 426606958 /nfs/dbraw/zinc/60/69/58/426606958.db2.gz HJSATEPIBSPVAP-ZWKOTPCHSA-N 0 0 324.424 2.530 50 0 DFAARN CC[C@H]1CCc2c(sc3[nH]c(-c4ccncn4)nc(=O)c23)C1 ZINC000225566270 426608918 /nfs/dbraw/zinc/60/89/18/426608918.db2.gz VREDQPIQZTZPNS-VIFPVBQESA-N 0 0 312.398 2.957 50 0 DFAARN O=C(c1cc2ccccc2o1)N1CC[C@H](Oc2cnccn2)C1 ZINC000225793149 426611966 /nfs/dbraw/zinc/61/19/66/426611966.db2.gz FJFBWRDXOJDLFM-ZDUSSCGKSA-N 0 0 309.325 2.516 50 0 DFAARN COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CCCC12OCCO2 ZINC000225804951 426612586 /nfs/dbraw/zinc/61/25/86/426612586.db2.gz NTSZGXFOJSRRBI-RYUDHWBXSA-N 0 0 323.364 2.555 50 0 DFAARN CCc1nc(CNC(=O)c2cn(-c3ccccc3)cn2)cs1 ZINC000226754139 426622023 /nfs/dbraw/zinc/62/20/23/426622023.db2.gz RDXVMYRXGZRZGS-UHFFFAOYSA-N 0 0 312.398 2.821 50 0 DFAARN CNC(=O)[C@@H]1CCCCN1Cc1cnc(C2CCCCC2)nc1 ZINC000216191950 426557481 /nfs/dbraw/zinc/55/74/81/426557481.db2.gz ZOOZFNXAMJQTTJ-INIZCTEOSA-N 0 0 316.449 2.625 50 0 DFAARN COc1ccc(-c2ncc(CN(C)Cc3cc(C)n[nH]3)cn2)cc1 ZINC000216389876 426559820 /nfs/dbraw/zinc/55/98/20/426559820.db2.gz ZFUFJZGSIMLDDW-UHFFFAOYSA-N 0 0 323.400 2.816 50 0 DFAARN C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000229165552 426637093 /nfs/dbraw/zinc/63/70/93/426637093.db2.gz OXPAIYYOXDYJRY-DGCLKSJQSA-N 0 0 309.360 2.515 50 0 DFAARN Cc1ccsc1C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000229877297 426641710 /nfs/dbraw/zinc/64/17/10/426641710.db2.gz MMZUNOHVVCHZAH-SOUVJXGZSA-N 0 0 322.474 2.770 50 0 DFAARN COCCC(C)(C)CNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000230111749 426643590 /nfs/dbraw/zinc/64/35/90/426643590.db2.gz YUJARPLJGABREX-ARFHVFGLSA-N 0 0 302.418 2.687 50 0 DFAARN Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC[C@H]3C)CC(=O)N2C)cc1 ZINC000230173498 426645257 /nfs/dbraw/zinc/64/52/57/426645257.db2.gz PVWPNCLPHDEWJJ-UWWQBHOKSA-N 0 0 314.429 2.915 50 0 DFAARN O=C(COc1nn(-c2ccccc2)cc1Cl)N1CCCC1 ZINC000227151919 426623569 /nfs/dbraw/zinc/62/35/69/426623569.db2.gz SXUWMFASPSMAPL-UHFFFAOYSA-N 0 0 305.765 2.527 50 0 DFAARN CC(C)CNC(=O)C(C)(C)Oc1ccn(-c2ccccc2)n1 ZINC000227153190 426624040 /nfs/dbraw/zinc/62/40/40/426624040.db2.gz HSQRENVPXNPMBQ-UHFFFAOYSA-N 0 0 301.390 2.802 50 0 DFAARN C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCc1ccccc1 ZINC000226852753 426624733 /nfs/dbraw/zinc/62/47/33/426624733.db2.gz CCABSJZTBDJYJF-OAHLLOKOSA-N 0 0 321.380 2.956 50 0 DFAARN Cc1cc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)nn1C ZINC000227165773 426626005 /nfs/dbraw/zinc/62/60/05/426626005.db2.gz GPJWBGPSMJYNQT-ZDUSSCGKSA-N 0 0 309.373 2.792 50 0 DFAARN 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CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000040506341 183085149 /nfs/dbraw/zinc/08/51/49/183085149.db2.gz WUKPEPKMNVGWSC-NVXWUHKLSA-N 0 0 316.445 2.801 50 0 DFAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000040510157 183085956 /nfs/dbraw/zinc/08/59/56/183085956.db2.gz QCTUJIAYLALWJE-RKDXNWHRSA-N 0 0 312.822 2.590 50 0 DFAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000040510154 183086043 /nfs/dbraw/zinc/08/60/43/183086043.db2.gz QCTUJIAYLALWJE-DTWKUNHWSA-N 0 0 312.822 2.590 50 0 DFAARN Cc1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)o1 ZINC000040510464 183086572 /nfs/dbraw/zinc/08/65/72/183086572.db2.gz FEANSJBVISBWQE-ZDUSSCGKSA-N 0 0 314.389 2.883 50 0 DFAARN COc1ccc2nc(C)c(C(=O)NCC[C@H]3CCCO3)cc2c1 ZINC000040511984 183087237 /nfs/dbraw/zinc/08/72/37/183087237.db2.gz KHBWQCQZNZVMOG-CQSZACIVSA-N 0 0 314.385 2.851 50 0 DFAARN CN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nccs1 ZINC000040512971 183087808 /nfs/dbraw/zinc/08/78/08/183087808.db2.gz ZHOAGGBBXICQOJ-UHFFFAOYSA-N 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2.767 50 0 DFAARN Cc1cc(CN(C)C(=O)[C@@H]2COc3ccc(Cl)cc3C2)no1 ZINC000044916687 425858911 /nfs/dbraw/zinc/85/89/11/425858911.db2.gz WCWHJVQOLPTMBP-LBPRGKRZSA-N 0 0 320.776 2.846 50 0 DFAARN C[C@H](NC(=O)Nc1ccc(N2CCCCC2)nc1)[C@@H]1CCCO1 ZINC000044951661 425858994 /nfs/dbraw/zinc/85/89/94/425858994.db2.gz ZGKGSOOJTMTJMF-ZFWWWQNUSA-N 0 0 318.421 2.761 50 0 DFAARN CN(Cc1ccsc1)C(=O)c1cccc(N2CCOC2=O)c1 ZINC000044966101 425859016 /nfs/dbraw/zinc/85/90/16/425859016.db2.gz QCIPNVNSYMAPPY-UHFFFAOYSA-N 0 0 316.382 2.977 50 0 DFAARN O=C(NCc1ccc(-c2ccc(F)cc2)o1)NC[C@@H]1CCOC1 ZINC000044953949 425859091 /nfs/dbraw/zinc/85/90/91/425859091.db2.gz WSTZQDDCBBOXJQ-LBPRGKRZSA-N 0 0 318.348 2.921 50 0 DFAARN COc1ccc([C@@H](C)NC(=O)c2scnc2C)c(OC)c1 ZINC000044954211 425859092 /nfs/dbraw/zinc/85/90/92/425859092.db2.gz CHXILMIFXFJWDV-SECBINFHSA-N 0 0 306.387 2.960 50 0 DFAARN C[C@@H](Cn1cccn1)NC(=O)c1sccc1Br ZINC000044951834 425859142 /nfs/dbraw/zinc/85/91/42/425859142.db2.gz WRKQUXZPBQCOEZ-QMMMGPOBSA-N 0 0 314.208 2.526 50 0 DFAARN COCCn1cc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC000044973022 425859309 /nfs/dbraw/zinc/85/93/09/425859309.db2.gz CUEUSHJESICTPZ-ZIAGYGMSSA-N 0 0 306.410 2.574 50 0 DFAARN C[C@H](Nc1ccccn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000044977081 425859369 /nfs/dbraw/zinc/85/93/69/425859369.db2.gz CUSLCCKUOXCTPW-LBPRGKRZSA-N 0 0 305.403 2.505 50 0 DFAARN c1cc(-c2noc(CN3CCO[C@@H]4CCCC[C@@H]43)n2)cs1 ZINC000044975578 425859483 /nfs/dbraw/zinc/85/94/83/425859483.db2.gz QNHDBFZXKVYGRN-QWHCGFSZSA-N 0 0 305.403 2.942 50 0 DFAARN CSCc1nnc(SCc2noc(CC(C)C)n2)o1 ZINC000045091545 425859855 /nfs/dbraw/zinc/85/98/55/425859855.db2.gz OCIFGGMIQHILGL-UHFFFAOYSA-N 0 0 300.409 2.806 50 0 DFAARN CCCc1nnc(NC(=O)Nc2nnc(CCC)s2)s1 ZINC000045221929 425860398 /nfs/dbraw/zinc/86/03/98/425860398.db2.gz YJHYSFBGOCUHHT-UHFFFAOYSA-N 0 0 312.424 2.939 50 0 DFAARN COc1ccc(OC)c(CN(C(=O)c2cc(C)on2)C2CC2)c1 ZINC000045522851 425861423 /nfs/dbraw/zinc/86/14/23/425861423.db2.gz OPAPBVAIBLUDNX-UHFFFAOYSA-N 0 0 316.357 2.805 50 0 DFAARN C[C@@H](CNS(=O)(=O)c1cccs1)N(C)c1ccccc1 ZINC000045745483 425862009 /nfs/dbraw/zinc/86/20/09/425862009.db2.gz XHKWZXGQTXRMMY-LBPRGKRZSA-N 0 0 310.444 2.551 50 0 DFAARN C[C@H](CNS(=O)(=O)c1cccc(F)c1)N(C)c1ccccc1 ZINC000045745476 425862156 /nfs/dbraw/zinc/86/21/56/425862156.db2.gz VMXWEXJCUOAIKE-CYBMUJFWSA-N 0 0 322.405 2.629 50 0 DFAARN CCOc1ncccc1NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000045737754 425862200 /nfs/dbraw/zinc/86/22/00/425862200.db2.gz JNEGHNJHKPLKNT-UHFFFAOYSA-N 0 0 322.368 2.977 50 0 DFAARN O=C(NCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)CCO2 ZINC000045830571 425862601 /nfs/dbraw/zinc/86/26/01/425862601.db2.gz CMKLEVIUCUPGTR-UHFFFAOYSA-N 0 0 319.364 2.737 50 0 DFAARN COc1ccc(-c2nc(CN3C[C@@H](C)OC[C@H]3C)co2)cc1 ZINC000045839346 425862914 /nfs/dbraw/zinc/86/29/14/425862914.db2.gz OBINZOQGOXLRIS-CHWSQXEVSA-N 0 0 302.374 2.959 50 0 DFAARN O=C(NCc1ccnc(N2CCCC2)c1)NC(C1CC1)C1CC1 ZINC000045867998 425862943 /nfs/dbraw/zinc/86/29/43/425862943.db2.gz 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IJJVTYNQUPRUGK-UHFFFAOYSA-N 0 0 302.355 2.584 50 0 DFAARN COc1cc(N[C@@H](C)c2nc(C)no2)ccc1N1CCCC1=O ZINC000026985700 425813780 /nfs/dbraw/zinc/81/37/80/425813780.db2.gz WEFVKOREZKICLD-JTQLQIEISA-N 0 0 316.361 2.687 50 0 DFAARN CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000026860664 425813821 /nfs/dbraw/zinc/81/38/21/425813821.db2.gz BCHKLYCJNODXDF-UHFFFAOYSA-N 0 0 324.789 2.532 50 0 DFAARN CCCC(=O)N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl ZINC000027024875 425814734 /nfs/dbraw/zinc/81/47/34/425814734.db2.gz SLFKPUFXAQOPMO-SNVBAGLBSA-N 0 0 313.612 2.982 50 0 DFAARN CNc1snc(C)c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000027336988 425816385 /nfs/dbraw/zinc/81/63/85/425816385.db2.gz SMEOXZDWDULPPE-UHFFFAOYSA-N 0 0 305.359 2.517 50 0 DFAARN N=c1ccc(Cl)cn1C(=O)C=C(N)Nc1ccc(Cl)cn1 ZINC000027490401 425816962 /nfs/dbraw/zinc/81/69/62/425816962.db2.gz JTXVRQLCTCWBON-UHFFFAOYSA-N 0 0 324.171 2.789 50 0 DFAARN CCc1ccc(OCC(=O)NCCc2csc(C)n2)cc1 ZINC000027793735 425818095 /nfs/dbraw/zinc/81/80/95/425818095.db2.gz ABKJYVMVNSXXRU-UHFFFAOYSA-N 0 0 304.415 2.752 50 0 DFAARN CCCc1noc([C@@H](C)N2CCN(c3ccccc3O)CC2)n1 ZINC000027765295 425818321 /nfs/dbraw/zinc/81/83/21/425818321.db2.gz KUTSCHTYMVYPJW-CYBMUJFWSA-N 0 0 316.405 2.611 50 0 DFAARN Cc1nc(CCNC(=O)COc2c(C)cccc2C)cs1 ZINC000027990520 425819199 /nfs/dbraw/zinc/81/91/99/425819199.db2.gz MXEVOBHZSHEEGL-UHFFFAOYSA-N 0 0 304.415 2.806 50 0 DFAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccn1 ZINC000028200229 425820323 /nfs/dbraw/zinc/82/03/23/425820323.db2.gz SAALYHGILSENTP-UHFFFAOYSA-N 0 0 314.433 2.800 50 0 DFAARN CCOc1ccc(NC(=O)[C@@H](C)Cn2nc(C)nc2C)cc1 ZINC000028295765 425821306 /nfs/dbraw/zinc/82/13/06/425821306.db2.gz HJYPOGOCJBKLHT-NSHDSACASA-N 0 0 302.378 2.568 50 0 DFAARN CC(=O)N1CCc2cc(NC(=O)c3cc(C)ccc3O)ccc21 ZINC000028642730 425822100 /nfs/dbraw/zinc/82/21/00/425822100.db2.gz RWYWHUMBMGGTNI-UHFFFAOYSA-N 0 0 310.353 2.862 50 0 DFAARN CCn1nc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1C ZINC000028577383 425822716 /nfs/dbraw/zinc/82/27/16/425822716.db2.gz 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/nfs/dbraw/zinc/82/89/55/425828955.db2.gz JUKRRTMHESSTRN-UHFFFAOYSA-N 0 0 315.417 2.721 50 0 DFAARN O=C(Oc1ccc(N2CCCC2=O)cc1)[C@H]1Cc2ccccc2O1 ZINC000029767976 425829074 /nfs/dbraw/zinc/82/90/74/425829074.db2.gz QWWPTLNWXQBACS-QGZVFWFLSA-N 0 0 323.348 2.723 50 0 DFAARN O=C(CCc1cccs1)NCc1cccnc1-n1ccnc1 ZINC000029916083 425829480 /nfs/dbraw/zinc/82/94/80/425829480.db2.gz REKLBIHBMHEUCR-UHFFFAOYSA-N 0 0 312.398 2.578 50 0 DFAARN CN(CCCOc1ccccc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000029855004 425829583 /nfs/dbraw/zinc/82/95/83/425829583.db2.gz NTOHYLVKBVYJMH-KRWDZBQOSA-N 0 0 316.376 2.753 50 0 DFAARN Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1F ZINC000029896750 425829588 /nfs/dbraw/zinc/82/95/88/425829588.db2.gz YAQWFMQHXUNYKL-GFCCVEGCSA-N 0 0 316.380 2.943 50 0 DFAARN O=C(C=Cc1ccc2c(c1)OCO2)Nc1ccc2oc(=O)[nH]c2c1 ZINC000029836067 425829667 /nfs/dbraw/zinc/82/96/67/425829667.db2.gz YNAJCIVGGSFADC-QHHAFSJGSA-N 0 0 324.292 2.502 50 0 DFAARN CN(CCCOc1ccccc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000029855001 425829908 /nfs/dbraw/zinc/82/99/08/425829908.db2.gz NTOHYLVKBVYJMH-QGZVFWFLSA-N 0 0 316.376 2.753 50 0 DFAARN Cc1nc2ccccc2nc1N1CCN(Cc2cccnc2)CC1 ZINC000030003826 425830364 /nfs/dbraw/zinc/83/03/64/425830364.db2.gz KBIGCKDCRUOKFK-UHFFFAOYSA-N 0 0 319.412 2.655 50 0 DFAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(F)cc(F)c1 ZINC000030159577 425830418 /nfs/dbraw/zinc/83/04/18/425830418.db2.gz RDIKFZSNOYHCIA-MGPLVRAMSA-N 0 0 319.307 2.810 50 0 DFAARN C[C@H](OCc1ccccc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000030568874 425831867 /nfs/dbraw/zinc/83/18/67/425831867.db2.gz JRWLRCIEHTVMAH-JTQLQIEISA-N 0 0 303.387 2.959 50 0 DFAARN Cc1nn(C)c(Cl)c1CNCc1ccc(N2CCCC2)nc1 ZINC000030900180 425833015 /nfs/dbraw/zinc/83/30/15/425833015.db2.gz QAIXILCACSRJNA-UHFFFAOYSA-N 0 0 319.840 2.667 50 0 DFAARN O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000046493239 425865448 /nfs/dbraw/zinc/86/54/48/425865448.db2.gz LETNOGPXEZKBOD-CVEARBPZSA-N 0 0 313.401 2.666 50 0 DFAARN COCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 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288162490 /nfs/dbraw/zinc/16/24/90/288162490.db2.gz HGLVBRGMEQSDDG-ZACQAIPSSA-N 0 0 314.429 2.697 50 0 DFAARN C[C@H]1CCc2c(sc3ncnc(N4CCC[C@H](O)C4)c23)C1 ZINC000008149463 279769462 /nfs/dbraw/zinc/76/94/62/279769462.db2.gz CGLSNEYUXDNFMJ-QWRGUYRKSA-N 0 0 303.431 2.777 50 0 DFAARN O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCO2 ZINC000000568436 280014591 /nfs/dbraw/zinc/01/45/91/280014591.db2.gz KATYZVRIPDDXDG-UHFFFAOYSA-N 0 0 321.130 2.825 50 0 DFAARN O=C(Nc1nncs1)N[C@H](c1ccccc1)C(F)(F)F ZINC000058289642 280069156 /nfs/dbraw/zinc/06/91/56/280069156.db2.gz NHLNCPVZODSLCZ-MRVPVSSYSA-N 0 0 302.281 2.963 50 0 DFAARN C[C@H]1Oc2c(cccc2C(=O)Nc2cccc(C(N)=O)c2)[C@@H]1C ZINC000008944398 280072560 /nfs/dbraw/zinc/07/25/60/280072560.db2.gz PRDHRFFHUJAYDJ-GHMZBOCLSA-N 0 0 310.353 2.922 50 0 DFAARN O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccncc2)CC1 ZINC000075123046 280152072 /nfs/dbraw/zinc/15/20/72/280152072.db2.gz ZDWSQDMWBKJDCQ-OALUTQOASA-N 0 0 321.424 2.530 50 0 DFAARN Cc1c(-c2nnc3sc(-c4cccc(F)c4)nn32)cnn1C 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50 0 DFAARN CC(C)c1nnsc1C(=O)N[C@H](C)c1cn2ccsc2n1 ZINC000299756250 563804226 /nfs/dbraw/zinc/80/42/26/563804226.db2.gz FHZYLHDPEZUDMW-MRVPVSSYSA-N 0 0 321.431 2.862 50 0 DFAARN Cc1noc(C)c1CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000169751637 563897183 /nfs/dbraw/zinc/89/71/83/563897183.db2.gz JMQSSGYIWGDSCN-UHFFFAOYSA-N 0 0 302.359 2.673 50 0 DFAARN Cc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)n[nH]1 ZINC000169755527 563897373 /nfs/dbraw/zinc/89/73/73/563897373.db2.gz JASHTGLKSGWXCY-UHFFFAOYSA-N 0 0 322.372 2.565 50 0 DFAARN c1ccc(-c2noc(-c3cncnc3NC[C@@H]3CCCO3)n2)cc1 ZINC000169775558 563898762 /nfs/dbraw/zinc/89/87/62/563898762.db2.gz BZRVJBUKYTZPQP-ZDUSSCGKSA-N 0 0 323.356 2.785 50 0 DFAARN Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCn1cnnc1C1CC1 ZINC000170064083 563903359 /nfs/dbraw/zinc/90/33/59/563903359.db2.gz LYTGDVJNCNDFEG-INIZCTEOSA-N 0 0 300.381 2.962 50 0 DFAARN Brc1cccnc1NCCCOC1CCOCC1 ZINC000252490888 563916098 /nfs/dbraw/zinc/91/60/98/563916098.db2.gz LEDJVNPZCXTBPG-UHFFFAOYSA-N 0 0 315.211 2.842 50 0 DFAARN CCc1nc([C@@H]2CN([C@H]3CCCc4ccccc43)CCO2)n[nH]1 ZINC000299754019 563938801 /nfs/dbraw/zinc/93/88/01/563938801.db2.gz LNFOGTPUJVYHDK-HOTGVXAUSA-N 0 0 312.417 2.818 50 0 DFAARN Cc1nc(N)sc1CC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000584898696 563960534 /nfs/dbraw/zinc/96/05/34/563960534.db2.gz BENQFXCPRNHCCH-UHFFFAOYSA-N 0 0 319.474 2.765 50 0 DFAARN C[C@@H](CNC(=O)N(C)Cc1cnccn1)Cc1cccs1 ZINC000074628931 185004283 /nfs/dbraw/zinc/00/42/83/185004283.db2.gz JDXLAJKYZXAMOM-GFCCVEGCSA-N 0 0 304.419 2.558 50 0 DFAARN O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000095474358 185373091 /nfs/dbraw/zinc/37/30/91/185373091.db2.gz MNHLVVHJZPOQHS-LLVKDONJSA-N 0 0 319.386 2.713 50 0 DFAARN Cc1cc(NC(=O)[C@H](Sc2cn[nH]n2)c2ccccc2)no1 ZINC000095482020 185373775 /nfs/dbraw/zinc/37/37/75/185373775.db2.gz HESGLCUOEPSNET-CYBMUJFWSA-N 0 0 315.358 2.573 50 0 DFAARN CN(C)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000095495665 185374132 /nfs/dbraw/zinc/37/41/32/185374132.db2.gz NMJWPHNWHMPBOP-MRXNPFEDSA-N 0 0 312.369 2.742 50 0 DFAARN O=C(N[C@H](C(=O)NC1CC1)c1ccccc1)OCc1ccccc1 ZINC000095495678 185374186 /nfs/dbraw/zinc/37/41/86/185374186.db2.gz GHICICJEIQKFTO-KRWDZBQOSA-N 0 0 324.380 2.933 50 0 DFAARN Cc1cc(NC(=O)N2CCC(=O)NC[C@H]2C)c(Cl)cc1F ZINC000095497449 185374377 /nfs/dbraw/zinc/37/43/77/185374377.db2.gz GSYJWDHOBNNWRQ-SECBINFHSA-N 0 0 313.760 2.530 50 0 DFAARN CCc1nnc(CN(CC)C(=O)[C@H](C)n2ccnc2C(C)C)o1 ZINC000095502016 185374959 /nfs/dbraw/zinc/37/49/59/185374959.db2.gz QJLGIAFSDPRGMT-LBPRGKRZSA-N 0 0 319.409 2.562 50 0 DFAARN Cc1ccc(CC(=O)Nc2ncc3c(n2)CCC(C)(C)C3)cn1 ZINC000278314308 214084940 /nfs/dbraw/zinc/08/49/40/214084940.db2.gz BQPDNSTWQCQUDX-UHFFFAOYSA-N 0 0 310.401 2.876 50 0 DFAARN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@@H](CO)C2)c1 ZINC000074768993 185016772 /nfs/dbraw/zinc/01/67/72/185016772.db2.gz KYWSGXYDDVBQJG-JKSUJKDBSA-N 0 0 304.434 2.648 50 0 DFAARN CNC(=O)c1ccccc1C[C@@H]1COc2c(cccc2OC)C1 ZINC000095519481 185377060 /nfs/dbraw/zinc/37/70/60/185377060.db2.gz GLPWKZKAERPENM-ZDUSSCGKSA-N 0 0 311.381 2.849 50 0 DFAARN Cc1nn(C)c2nc(N(Cc3cnn(C)c3)CC(C)C)sc12 ZINC000095510356 185376080 /nfs/dbraw/zinc/37/60/80/185376080.db2.gz QGIURJGPYRBFNA-UHFFFAOYSA-N 0 0 318.450 2.734 50 0 DFAARN FC(F)(F)Cn1ccnc1COc1ccc2c(c1)OCO2 ZINC000076693896 185031956 /nfs/dbraw/zinc/03/19/56/185031956.db2.gz UKEMFRAMUOYGOS-UHFFFAOYSA-N 0 0 300.236 2.753 50 0 DFAARN Cc1nc(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cs1 ZINC000076712011 185034397 /nfs/dbraw/zinc/03/43/97/185034397.db2.gz DNEGBJHKCWOLIS-VIFPVBQESA-N 0 0 301.371 2.829 50 0 DFAARN Cc1cc([C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)c(C)s1 ZINC000076713645 185034471 /nfs/dbraw/zinc/03/44/71/185034471.db2.gz BABANMRKCRETIT-LLVKDONJSA-N 0 0 319.430 2.566 50 0 DFAARN O=C1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2cccnc2)o1 ZINC000095522753 185377330 /nfs/dbraw/zinc/37/73/30/185377330.db2.gz ZVSGHJACBUCKSR-OAHLLOKOSA-N 0 0 320.352 2.648 50 0 DFAARN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cccnc1 ZINC000076856913 185047174 /nfs/dbraw/zinc/04/71/74/185047174.db2.gz VTGHATIDBWENGJ-GXTWGEPZSA-N 0 0 320.389 2.787 50 0 DFAARN Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1CC(N)=O ZINC000076994316 185064428 /nfs/dbraw/zinc/06/44/28/185064428.db2.gz FWWDLAMILMHBMO-UHFFFAOYSA-N 0 0 318.446 2.662 50 0 DFAARN CC(C)(C)c1cc(CNC(=O)[C@H]2COc3ccccc3C2)[nH]n1 ZINC000095529014 185378282 /nfs/dbraw/zinc/37/82/82/185378282.db2.gz FOUWFSQHQISGGT-CYBMUJFWSA-N 0 0 313.401 2.575 50 0 DFAARN Cc1c(CC(N)=O)c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000095524442 185377848 /nfs/dbraw/zinc/37/78/48/185377848.db2.gz HJLUDJVEKLTSDR-UHFFFAOYSA-N 0 0 314.360 2.531 50 0 DFAARN C/C=C/CC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095525846 185378222 /nfs/dbraw/zinc/37/82/22/185378222.db2.gz GJTIXJYWGUWFJG-RCAFFNEUSA-N 0 0 324.428 2.999 50 0 DFAARN CC(C)(C)c1cc(CNC(=O)[C@@H]2COc3ccccc3C2)[nH]n1 ZINC000095529015 185378532 /nfs/dbraw/zinc/37/85/32/185378532.db2.gz FOUWFSQHQISGGT-ZDUSSCGKSA-N 0 0 313.401 2.575 50 0 DFAARN COC(=O)c1ccc(CNc2nc3c(s2)c(C)nn3C)cc1 ZINC000095528232 185378637 /nfs/dbraw/zinc/37/86/37/185378637.db2.gz JYYZVWTZGGLKDC-UHFFFAOYSA-N 0 0 316.386 2.737 50 0 DFAARN O=C([C@@H]1CCOc2ccccc2C1)N1CC(c2ccccn2)C1 ZINC000095531383 185378737 /nfs/dbraw/zinc/37/87/37/185378737.db2.gz OVHZVCTXZXAYES-OAHLLOKOSA-N 0 0 308.381 2.649 50 0 DFAARN Cc1ccc(C(=O)OC[C@H]2CCCCS2(=O)=O)c(Cl)c1 ZINC000225423780 201705815 /nfs/dbraw/zinc/70/58/15/201705815.db2.gz NKXQFRHSSODMKW-LLVKDONJSA-N 0 0 316.806 2.773 50 0 DFAARN c1cc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)no1 ZINC000181287254 199277014 /nfs/dbraw/zinc/27/70/14/199277014.db2.gz UKGVPYSMOKMIDW-AWEZNQCLSA-N 0 0 309.373 2.839 50 0 DFAARN Cn1cc(CCC(=O)NCCc2ccccn2)c2ccccc21 ZINC000079476404 185173151 /nfs/dbraw/zinc/17/31/51/185173151.db2.gz VZWOSFHBCATQBJ-UHFFFAOYSA-N 0 0 307.397 2.865 50 0 DFAARN CC(C)CNc1nc(C(=O)NCCc2ccccn2)cs1 ZINC000079479487 185173265 /nfs/dbraw/zinc/17/32/65/185173265.db2.gz PEMFGZIQEQAAGC-UHFFFAOYSA-N 0 0 304.419 2.579 50 0 DFAARN O=C(Nc1ccc2cc[nH]c2c1)c1cc(-n2cnnn2)ccc1F ZINC000079479172 185173275 /nfs/dbraw/zinc/17/32/75/185173275.db2.gz YHIPOOZHGMZYHX-UHFFFAOYSA-N 0 0 322.303 2.535 50 0 DFAARN O=C(c1cnn2ccccc12)N1CCCC[C@H]1CCn1cccn1 ZINC000082161727 185174174 /nfs/dbraw/zinc/17/41/74/185174174.db2.gz VWKDSXRHTRAHSQ-HNNXBMFYSA-N 0 0 323.400 2.616 50 0 DFAARN Cn1ccnc1COC(=O)c1cccc(F)c1Br ZINC000328591044 231234435 /nfs/dbraw/zinc/23/44/35/231234435.db2.gz BICAJCWAXXMZOA-UHFFFAOYSA-N 0 0 313.126 2.679 50 0 DFAARN Cc1c([C@H]2OCC[C@@H]2NCc2csc(C3CC3)n2)cnn1C ZINC000328625899 231255679 /nfs/dbraw/zinc/25/56/79/231255679.db2.gz LCEPUTPPHWWSGI-LSDHHAIUSA-N 0 0 318.446 2.682 50 0 DFAARN O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000225335139 398348197 /nfs/dbraw/zinc/34/81/97/398348197.db2.gz PDEOJLUGBPEQFE-GRYCIOLGSA-N 0 0 315.339 2.683 50 0 DFAARN COc1cc(C)nc(Oc2ccc(OCc3ccccc3)nn2)n1 ZINC000000181127 398345324 /nfs/dbraw/zinc/34/53/24/398345324.db2.gz KVZQTTLVESYLNQ-UHFFFAOYSA-N 0 0 324.340 2.955 50 0 DFAARN O=C([O-])c1ccc(-c2nc3cc(C4=[NH+]CCCN4)ccc3[nH]2)cc1 ZINC000005491222 398351636 /nfs/dbraw/zinc/35/16/36/398351636.db2.gz RDZJYFGAUBLCHG-UHFFFAOYSA-N 0 0 320.352 2.668 50 0 DFAARN CCCCNc1ccc2c3c1cccc3C(=O)N(CCO)C2=O ZINC000005735575 398352429 /nfs/dbraw/zinc/35/24/29/398352429.db2.gz YWTPAPIQZDJIAN-UHFFFAOYSA-N 0 0 312.369 2.640 50 0 DFAARN O=C1ON=C(c2ccccc2)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000005589656 398352494 /nfs/dbraw/zinc/35/24/94/398352494.db2.gz ZQAOVRAXVKZKGF-UVTDQMKNSA-N 0 0 309.281 2.852 50 0 DFAARN CS(C)(=O)=Nn1c2ccccc2nc(-c2ccccc2)c1=O ZINC000005919024 398353606 /nfs/dbraw/zinc/35/36/06/398353606.db2.gz GCBHHZFFJWVNTM-UHFFFAOYSA-N 0 0 313.382 2.554 50 0 DFAARN Cc1nc(CN2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)no1 ZINC000225453947 201711173 /nfs/dbraw/zinc/71/11/73/201711173.db2.gz WJVDDPGQDXSYPV-QMTHXVAHSA-N 0 0 307.781 2.993 50 0 DFAARN O=C(c1cc2ccccc2o1)N1CCC[C@@H](Oc2cccnn2)C1 ZINC000225453705 201711362 /nfs/dbraw/zinc/71/13/62/201711362.db2.gz JYWMAZUCKONGKC-CQSZACIVSA-N 0 0 323.352 2.906 50 0 DFAARN Cc1nccn1-c1ccc(C(F)(F)F)cc1NS(C)(=O)=O ZINC000328594102 282198038 /nfs/dbraw/zinc/19/80/38/282198038.db2.gz PTSHSMBSRQJVIP-UHFFFAOYSA-N 0 0 319.308 2.571 50 0 DFAARN COC(=O)c1cc(/C=C\C(=O)N[C@@H](C)c2ccccn2)oc1C ZINC000096926374 185391997 /nfs/dbraw/zinc/39/19/97/185391997.db2.gz QMBGCXZCAJBZIN-TVRMLOFPSA-N 0 0 314.341 2.660 50 0 DFAARN COC[C@H]1CCN(C(=O)c2cccc(Br)c2C)C1 ZINC000088445915 185251003 /nfs/dbraw/zinc/25/10/03/185251003.db2.gz XIPHUMMFOASUPT-NSHDSACASA-N 0 0 312.207 2.866 50 0 DFAARN Cc1ccc(/C=C\C(=O)NCc2nnc3ccccn32)c(C)c1 ZINC000096930875 185392492 /nfs/dbraw/zinc/39/24/92/185392492.db2.gz QHBBSNOHNLVEBM-HJWRWDBZSA-N 0 0 306.369 2.676 50 0 DFAARN CC(C)(C)n1cnnc1SCCCNC(=O)C1CCCC1 ZINC000088500162 185254480 /nfs/dbraw/zinc/25/44/80/185254480.db2.gz YDSYRWLCSCOLCE-UHFFFAOYSA-N 0 0 310.467 2.822 50 0 DFAARN Cc1ccc(CNC(=O)N(C)C2CC2)c(OC[C@H]2CCOC2)c1 ZINC000088636389 185260525 /nfs/dbraw/zinc/26/05/25/185260525.db2.gz VGVFHSYTWPDFQB-AWEZNQCLSA-N 0 0 318.417 2.714 50 0 DFAARN CCCNC(=O)c1ccc(N[C@H](COC)c2ccc(C)o2)nc1 ZINC000089960202 185272134 /nfs/dbraw/zinc/27/21/34/185272134.db2.gz TYPFYGHQUXOWJH-CQSZACIVSA-N 0 0 317.389 2.922 50 0 DFAARN CCOCC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000089986632 185275016 /nfs/dbraw/zinc/27/50/16/185275016.db2.gz KUOBCWMMYIOLIA-JTQLQIEISA-N 0 0 300.196 2.533 50 0 DFAARN CCOc1cc(Cl)ccc1NC(=O)NCc1ccnn1C ZINC000089990960 185275160 /nfs/dbraw/zinc/27/51/60/185275160.db2.gz UXUGHTLRADBYHX-UHFFFAOYSA-N 0 0 308.769 2.794 50 0 DFAARN CC(C)[C@H](Cn1nccn1)NC(=O)c1cc2ccccc2s1 ZINC000238827233 398378960 /nfs/dbraw/zinc/37/89/60/398378960.db2.gz FATKMKXBVUDNLV-ZDUSSCGKSA-N 0 0 314.414 2.947 50 0 DFAARN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@H]1CC[C@@H](O)C1 ZINC000241837510 398379388 /nfs/dbraw/zinc/37/93/88/398379388.db2.gz SKTFIQSOENYLQI-XQQFMLRXSA-N 0 0 301.308 2.752 50 0 DFAARN CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)s2)C1 ZINC000089949374 185271227 /nfs/dbraw/zinc/27/12/27/185271227.db2.gz GJUZZPUGDTUVGL-NSHDSACASA-N 0 0 310.467 2.721 50 0 DFAARN CCCCc1noc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000089954873 185271678 /nfs/dbraw/zinc/27/16/78/185271678.db2.gz KZFUDGSPNMIGMO-RYUDHWBXSA-N 0 0 318.425 2.752 50 0 DFAARN CC(=O)NCCCS[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000089962637 185271962 /nfs/dbraw/zinc/27/19/62/185271962.db2.gz QMGMKQYCCLKTDO-OAHLLOKOSA-N 0 0 324.421 2.581 50 0 DFAARN Fc1ccc(N2CCCN(Cc3nc(C4CC4)no3)CC2)cc1 ZINC000082039405 192353883 /nfs/dbraw/zinc/35/38/83/192353883.db2.gz YGSNMIKIOOUTJG-UHFFFAOYSA-N 0 0 316.380 2.798 50 0 DFAARN CCn1nc(C)c(CCNC(=O)c2cc(C(C)C)on2)c1C ZINC000082098553 192355688 /nfs/dbraw/zinc/35/56/88/192355688.db2.gz PAVBPWIPVQUWNW-UHFFFAOYSA-N 0 0 304.394 2.604 50 0 DFAARN O=C(c1ccc2[nH]cnc2c1)N1CCC(Oc2ccccn2)CC1 ZINC000090607472 185306334 /nfs/dbraw/zinc/30/63/34/185306334.db2.gz OELHFZCAFFOMGH-UHFFFAOYSA-N 0 0 322.368 2.642 50 0 DFAARN O=C(c1cc(-n2ccnc2)ccn1)N1CCCc2ccccc21 ZINC000090608783 185306391 /nfs/dbraw/zinc/30/63/91/185306391.db2.gz HSGCNFURXJVJML-UHFFFAOYSA-N 0 0 304.353 2.860 50 0 DFAARN CCCc1ccc(C(=O)N2CCOC3(CCOCC3)C2)cc1 ZINC000090608824 185306443 /nfs/dbraw/zinc/30/64/43/185306443.db2.gz YDZSFJIXTPIVQV-UHFFFAOYSA-N 0 0 303.402 2.661 50 0 DFAARN O=C(COc1nnc2ccccn21)Nc1cccc2ccccc21 ZINC000002626323 190616477 /nfs/dbraw/zinc/61/64/77/190616477.db2.gz OIDBKAFJBMYDDM-UHFFFAOYSA-N 0 0 318.336 2.900 50 0 DFAARN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000006728631 190622995 /nfs/dbraw/zinc/62/29/95/190622995.db2.gz CQASBORKJLTOCB-KCJUWKMLSA-N 0 0 324.229 2.839 50 0 DFAARN CCC1(CC)[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H](C)[C@@H]1OC ZINC000092559008 185325704 /nfs/dbraw/zinc/32/57/04/185325704.db2.gz KBSJNXCFXGOQAC-YUELXQCFSA-N 0 0 320.433 2.561 50 0 DFAARN O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1 ZINC000006841778 190624065 /nfs/dbraw/zinc/62/40/65/190624065.db2.gz WWBAADABWPSXBY-UHFFFAOYSA-N 0 0 314.732 2.715 50 0 DFAARN CCCN(C[C@@H]1CC(c2ccc(OC)cc2)=NO1)C(=O)C1CC1 ZINC000006869372 190625731 /nfs/dbraw/zinc/62/57/31/190625731.db2.gz 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/nfs/dbraw/zinc/34/11/85/185341185.db2.gz MGYZPOKMPMRLGJ-AWEZNQCLSA-N 0 0 320.462 2.977 50 0 DFAARN Cc1ccc([C@@H]2C[C@H]2C(=O)NCCCc2nc(C)no2)s1 ZINC000066716437 398394374 /nfs/dbraw/zinc/39/43/74/398394374.db2.gz ILVQWYFSFBOYDI-VXGBXAGGSA-N 0 0 305.403 2.600 50 0 DFAARN O=S(=O)(Cc1nn(-c2ccccc2)c2c1CCC2)CC1CC1 ZINC000092862138 185347179 /nfs/dbraw/zinc/34/71/79/185347179.db2.gz VLOXYQQMEFUQPV-UHFFFAOYSA-N 0 0 316.426 2.686 50 0 DFAARN Cc1ccc(-c2ccc(C(=O)NCc3nc[nH]n3)c(F)c2)cc1 ZINC000095389688 185351107 /nfs/dbraw/zinc/35/11/07/185351107.db2.gz DLHFXNZSJTYIMW-UHFFFAOYSA-N 0 0 310.332 2.849 50 0 DFAARN CCCCS(=O)(=O)N1CC=C(c2cccc(OC)c2)CC1 ZINC000095389972 185351250 /nfs/dbraw/zinc/35/12/50/185351250.db2.gz KAFSQTNBIJCQTM-UHFFFAOYSA-N 0 0 309.431 2.914 50 0 DFAARN CCC/C=C/[C@@H](C(=O)[O-])[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000095391171 185351607 /nfs/dbraw/zinc/35/16/07/185351607.db2.gz NIRGZCUIHKAVDQ-YKXBDCQTSA-N 0 0 303.402 2.780 50 0 DFAARN CC[C@@H]1CN(C(=O)NCc2ccc(COC)c(F)c2)C[C@@H](C)O1 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/nfs/dbraw/zinc/07/49/86/183074986.db2.gz JWYCXRNKODZXBR-UHFFFAOYSA-N 0 0 311.744 2.846 50 0 DFAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN2CCSC2=O)o1 ZINC000040476628 183075263 /nfs/dbraw/zinc/07/52/63/183075263.db2.gz WXWCNKDGJQJTGA-JQWIXIFHSA-N 0 0 308.403 2.530 50 0 DFAARN CC(C)C(=O)N1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000040488698 183078303 /nfs/dbraw/zinc/07/83/03/183078303.db2.gz ABJDNRGYZYGSLI-UHFFFAOYSA-N 0 0 319.430 2.703 50 0 DFAARN CC[C@@H](C(=O)N1CCC(C(=O)N(C)C)CC1)c1ccccc1 ZINC000040489196 183079023 /nfs/dbraw/zinc/07/90/23/183079023.db2.gz BKQIYVGGTZBLGV-MRXNPFEDSA-N 0 0 302.418 2.507 50 0 DFAARN O=C(C1CC1)N1CCC(Nc2ncnc3sccc32)CC1 ZINC000040493233 183080674 /nfs/dbraw/zinc/08/06/74/183080674.db2.gz LEUILNGUGYPZDW-UHFFFAOYSA-N 0 0 302.403 2.504 50 0 DFAARN CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000040539217 183096114 /nfs/dbraw/zinc/09/61/14/183096114.db2.gz LNLHUCMDOSEPKD-ZDUSSCGKSA-N 0 0 310.781 2.691 50 0 DFAARN CCc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)sc1C ZINC000040505389 183085251 /nfs/dbraw/zinc/08/52/51/183085251.db2.gz OSFLPVMUHVKABX-CYBMUJFWSA-N 0 0 318.446 2.767 50 0 DFAARN CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000040506338 183085291 /nfs/dbraw/zinc/08/52/91/183085291.db2.gz WUKPEPKMNVGWSC-WBVHZDCISA-N 0 0 316.445 2.801 50 0 DFAARN CCS(=O)(=O)c1ccccc1NC(=O)c1cccc(OC)c1 ZINC000040510028 183085918 /nfs/dbraw/zinc/08/59/18/183085918.db2.gz RJSNFDKBYLNANY-UHFFFAOYSA-N 0 0 319.382 2.741 50 0 DFAARN Cc1cc([C@@H](C)NC(=O)CN(C)C(=O)c2ccco2)c(C)s1 ZINC000040509378 183086269 /nfs/dbraw/zinc/08/62/69/183086269.db2.gz LIACPMSQASJTOM-LLVKDONJSA-N 0 0 320.414 2.907 50 0 DFAARN Cc1csc2nc(CSCCc3ccccn3)cc(=O)n12 ZINC000040511808 183087641 /nfs/dbraw/zinc/08/76/41/183087641.db2.gz WXKUBQDPRHJMLM-UHFFFAOYSA-N 0 0 317.439 2.935 50 0 DFAARN CN(C)c1cc(CNC(=O)c2ccc(Cl)cc2F)ccn1 ZINC000040512554 183087841 /nfs/dbraw/zinc/08/78/41/183087841.db2.gz YIGYZSRYIVODQC-UHFFFAOYSA-N 0 0 307.756 2.870 50 0 DFAARN CCOc1ccc([C@@H](C)NC(=O)c2cc(C)on2)cc1OC 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Cc1cc(C)n([C@@H](C)C(=O)N(C)CCc2scnc2C)n1 ZINC000067692659 425912768 /nfs/dbraw/zinc/91/27/68/425912768.db2.gz MLRKHITVBMWXBT-ZDUSSCGKSA-N 0 0 306.435 2.527 50 0 DFAARN Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2cccnc2)c(C)c1 ZINC000067755796 425913021 /nfs/dbraw/zinc/91/30/21/425913021.db2.gz GQGAJGKKRODFQD-CQSZACIVSA-N 0 0 311.385 2.857 50 0 DFAARN Cc1noc(C)c1CN(C)C(=O)c1c(C)nc2cc(C)ccn21 ZINC000067756761 425913059 /nfs/dbraw/zinc/91/30/59/425913059.db2.gz HCYNNKGMSJDLAV-UHFFFAOYSA-N 0 0 312.373 2.828 50 0 DFAARN CCCCNC(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000067770800 425913066 /nfs/dbraw/zinc/91/30/66/425913066.db2.gz HFBBZFJMIWCYQH-UHFFFAOYSA-N 0 0 321.398 2.880 50 0 DFAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2c[nH]nc2-c2ccccc2)n1 ZINC000067804413 425913354 /nfs/dbraw/zinc/91/33/54/425913354.db2.gz QDMFPSWPEHJHBP-ZDUSSCGKSA-N 0 0 323.400 2.709 50 0 DFAARN c1nc2c([nH]1)[C@H](c1cnc(SCc3ccccc3)nc1)NCC2 ZINC000067773914 425913444 /nfs/dbraw/zinc/91/34/44/425913444.db2.gz RZIICWGDJPFAGO-HNNXBMFYSA-N 0 0 323.425 2.727 50 0 DFAARN Cc1oc(-c2ccccc2C)nc1CN(C)C[C@@H]1COCCO1 ZINC000067840660 425913486 /nfs/dbraw/zinc/91/34/86/425913486.db2.gz FDJQKSWEFJEDPH-OAHLLOKOSA-N 0 0 316.401 2.806 50 0 DFAARN CC[C@@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067883941 425914291 /nfs/dbraw/zinc/91/42/91/425914291.db2.gz RRBZVCBVMYXTOQ-CYBMUJFWSA-N 0 0 322.311 2.539 50 0 DFAARN Cc1ccc2[nH]cc(-c3ccc(S(N)(=O)=O)cc3F)c2c1 ZINC000067894348 425914496 /nfs/dbraw/zinc/91/44/96/425914496.db2.gz QJNKNSRUIYZIDE-UHFFFAOYSA-N 0 0 304.346 2.930 50 0 DFAARN CCc1cc(CN(C)C(=O)[C@@H](O)c2ccc(Cl)cc2)on1 ZINC000067896500 425914708 /nfs/dbraw/zinc/91/47/08/425914708.db2.gz NJPQORPISQAHHH-AWEZNQCLSA-N 0 0 308.765 2.582 50 0 DFAARN CCc1csc(CNC(=O)c2coc3c2C(=O)CCC3)n1 ZINC000067947530 425914929 /nfs/dbraw/zinc/91/49/29/425914929.db2.gz ZFGVEJYKAQGEIP-UHFFFAOYSA-N 0 0 304.371 2.748 50 0 DFAARN CCCc1cc(CN(C)C(=O)[C@H]2CC(=O)c3ccccc32)[nH]n1 ZINC000067946754 425914958 /nfs/dbraw/zinc/91/49/58/425914958.db2.gz 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/nfs/dbraw/zinc/91/85/69/425918569.db2.gz BGOXPXCJTVWOEM-HOTGVXAUSA-N 0 0 312.413 2.661 50 0 DFAARN CCOc1ccc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC)cc1C ZINC000068547270 425918685 /nfs/dbraw/zinc/91/86/85/425918685.db2.gz DUUOQJDNQAQATK-STQMWFEESA-N 0 0 321.421 2.818 50 0 DFAARN C[C@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000069048021 425927840 /nfs/dbraw/zinc/92/78/40/425927840.db2.gz KOCOVNFPZHHPOX-JTQLQIEISA-N 0 0 315.822 2.758 50 0 DFAARN O=C(Nc1cccc(Cl)c1)N1CCC(C2OCCO2)CC1 ZINC000069200552 425931651 /nfs/dbraw/zinc/93/16/51/425931651.db2.gz VDJZDHZJUCYZOX-UHFFFAOYSA-N 0 0 310.781 2.957 50 0 DFAARN CCOCCO[C@H](C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000069322891 425934162 /nfs/dbraw/zinc/93/41/62/425934162.db2.gz JZJPTWVAZDTPCR-UXIGCNINSA-N 0 0 311.809 2.754 50 0 DFAARN CCN(Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000069327768 425935192 /nfs/dbraw/zinc/93/51/92/425935192.db2.gz UCRKWXBQJATAIL-CYBMUJFWSA-N 0 0 309.456 2.910 50 0 DFAARN CNC(=O)NC(=O)CCSCCCOc1cc(C)ccc1C ZINC000069349206 425935326 /nfs/dbraw/zinc/93/53/26/425935326.db2.gz FHLNESVQBGKNHR-UHFFFAOYSA-N 0 0 324.446 2.651 50 0 DFAARN CCCn1nnnc1C[S@](=O)Cc1cccc2ccccc21 ZINC000069350689 425936464 /nfs/dbraw/zinc/93/64/64/425936464.db2.gz HASRFRZXUYQFCO-QFIPXVFZSA-N 0 0 314.414 2.685 50 0 DFAARN O=C(Cc1coc2ccc3ccccc3c12)N[C@@H]1CCCNC1=O ZINC000069330566 425935789 /nfs/dbraw/zinc/93/57/89/425935789.db2.gz OMZAOFGTTUTUAC-OAHLLOKOSA-N 0 0 322.364 2.523 50 0 DFAARN CN(CCc1ccncc1)C(=O)c1ccn(-c2ccccc2)n1 ZINC000069366979 425937763 /nfs/dbraw/zinc/93/77/63/425937763.db2.gz POTFBWQIOPHSEN-UHFFFAOYSA-N 0 0 306.369 2.582 50 0 DFAARN CCn1cnnc1C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000069368881 425936974 /nfs/dbraw/zinc/93/69/74/425936974.db2.gz FCEJXYUFXRBPOA-QGZVFWFLSA-N 0 0 324.428 2.734 50 0 DFAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C)(C)C3)c1 ZINC000000202726 425545738 /nfs/dbraw/zinc/54/57/38/425545738.db2.gz RHHRRJQNVUNINO-KSSFIOAISA-N 0 0 317.385 2.824 50 0 DFAARN COc1ccccc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000000038764 425529377 /nfs/dbraw/zinc/52/93/77/425529377.db2.gz LJAVYUYIBHAICS-UHFFFAOYSA-N 0 0 310.397 2.966 50 0 DFAARN Cc1cc(O[C@H](C)c2nc(-c3nonc3N)no2)ccc1Cl ZINC000000032683 425529429 /nfs/dbraw/zinc/52/94/29/425529429.db2.gz YYFKXIPQVQIXBZ-SSDOTTSWSA-N 0 0 321.724 2.804 50 0 DFAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(N)s1 ZINC000000036115 425529958 /nfs/dbraw/zinc/52/99/58/425529958.db2.gz RCSGZXWBTFQZGP-UHFFFAOYSA-N 0 0 314.823 2.813 50 0 DFAARN CCOC(=O)CSc1nc2ccccc2n1C(=O)OCC ZINC000000034242 425530050 /nfs/dbraw/zinc/53/00/50/425530050.db2.gz QFHWKOBKNPQMBR-UHFFFAOYSA-N 0 0 308.359 2.696 50 0 DFAARN Cn1ccnc1SCC(=O)c1cc2ccccc2oc1=O ZINC000000052950 425531535 /nfs/dbraw/zinc/53/15/35/425531535.db2.gz ZSSATGXJPVNFII-UHFFFAOYSA-N 0 0 300.339 2.502 50 0 DFAARN Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 ZINC000000042674 425531925 /nfs/dbraw/zinc/53/19/25/425531925.db2.gz BAVREMXJWMYCQA-UHFFFAOYSA-N 0 0 301.367 2.648 50 0 DFAARN CCOC(=O)c1sc(NC(=O)CC)c(C(=O)OCC)c1C ZINC000000041561 425531934 /nfs/dbraw/zinc/53/19/34/425531934.db2.gz WPASJSMBYVFAKX-UHFFFAOYSA-N 0 0 313.375 2.758 50 0 DFAARN O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)[NH2+]Cc1ccco1 ZINC000000049070 425532065 /nfs/dbraw/zinc/53/20/65/425532065.db2.gz RRKIMBSIGJATEF-CYBMUJFWSA-N 0 0 307.733 2.749 50 0 DFAARN O=C1c2nccnc2C(=O)N1C(c1ccccc1)c1ccccc1 ZINC000000069579 425532912 /nfs/dbraw/zinc/53/29/12/425532912.db2.gz FNKGQBQVONMEGG-UHFFFAOYSA-N 0 0 315.332 2.862 50 0 DFAARN Cc1nccn1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000000074244 425532953 /nfs/dbraw/zinc/53/29/53/425532953.db2.gz NUHXGNDYRXJOPH-NSHDSACASA-N 0 0 301.173 2.938 50 0 DFAARN COC(=O)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000000067844 425533044 /nfs/dbraw/zinc/53/30/44/425533044.db2.gz BMMOZNUVZHWMAB-UHFFFAOYSA-N 0 0 315.325 2.743 50 0 DFAARN C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000000074749 425533174 /nfs/dbraw/zinc/53/31/74/425533174.db2.gz OTHGJGNDSZEBJC-IUCAKERBSA-N 0 0 324.229 2.791 50 0 DFAARN CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccnc1 ZINC000000064651 425533246 /nfs/dbraw/zinc/53/32/46/425533246.db2.gz QCDQBWHIUKIMJP-UHFFFAOYSA-N 0 0 317.352 2.529 50 0 DFAARN CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C1C ZINC000000067399 425533265 /nfs/dbraw/zinc/53/32/65/425533265.db2.gz RTBLBIFAUASNRF-ZDUSSCGKSA-N 0 0 308.765 2.873 50 0 DFAARN CC(C)[C@@H]1COC(c2cccc(C3=N[C@H](C(C)C)CO3)n2)=N1 ZINC000000056898 425533331 /nfs/dbraw/zinc/53/33/31/425533331.db2.gz CSGQGLBCAHGJDR-GJZGRUSLSA-N 0 0 301.390 2.684 50 0 DFAARN CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000074151 425533471 /nfs/dbraw/zinc/53/34/71/425533471.db2.gz PNDZTDZWHSSHEH-CYBMUJFWSA-N 0 0 324.446 2.846 50 0 DFAARN COc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)c(O)c1 ZINC000000058167 425533556 /nfs/dbraw/zinc/53/35/56/425533556.db2.gz YAGDAEMMGAKBIV-UHFFFAOYSA-N 0 0 302.326 2.843 50 0 DFAARN CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccc2)N1 ZINC000000079506 425534488 /nfs/dbraw/zinc/53/44/88/425534488.db2.gz PKSKGEHOKWADCN-CYBMUJFWSA-N 0 0 300.280 2.940 50 0 DFAARN CCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(F)cc2)N1 ZINC000000081385 425534646 /nfs/dbraw/zinc/53/46/46/425534646.db2.gz MLCBXHPYUPQKGU-LBPRGKRZSA-N 0 0 304.243 2.689 50 0 DFAARN Cc1ccc(-c2nnc3s/c(=C\c4ccccc4)c(=O)n32)cc1 ZINC000000090781 425535145 /nfs/dbraw/zinc/53/51/45/425535145.db2.gz FBJIHAUQTQBEGQ-PTNGSMBKSA-N 0 0 319.389 2.674 50 0 DFAARN Cc1sc2nc3n(c(=O)c2c1C)-n1cnnc1-c1ccccc1-3 ZINC000000102557 425535481 /nfs/dbraw/zinc/53/54/81/425535481.db2.gz HMHUNUOEVDGVSJ-UHFFFAOYSA-N 0 0 321.365 2.625 50 0 DFAARN CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F ZINC000000103799 425535616 /nfs/dbraw/zinc/53/56/16/425535616.db2.gz CXKVQYHAKCFHRZ-OTYXRUKQSA-N 0 0 306.337 2.795 50 0 DFAARN CC[C@]1(C)Cc2c(sc3nc(SC)n(C)c(=O)c23)CO1 ZINC000000103031 425535755 /nfs/dbraw/zinc/53/57/55/425535755.db2.gz OFNGOLFZVNNRCQ-CQSZACIVSA-N 0 0 310.444 2.958 50 0 DFAARN CC(=O)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000000100975 425535765 /nfs/dbraw/zinc/53/57/65/425535765.db2.gz ZDUSYCBQIRZXAI-SNVBAGLBSA-N 0 0 318.181 2.905 50 0 DFAARN CC(C)(C)C(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000000105899 425535777 /nfs/dbraw/zinc/53/57/77/425535777.db2.gz YWRSPSAXTBGPHL-UHFFFAOYSA-N 0 0 312.295 2.974 50 0 DFAARN COc1ccc(CN2C(=O)CS[C@@H]2c2ccccn2)cc1 ZINC000000104107 425536359 /nfs/dbraw/zinc/53/63/59/425536359.db2.gz UEUCSBQSAFAKDS-MRXNPFEDSA-N 0 0 300.383 2.864 50 0 DFAARN Nc1ccccc1S[C@H]1CC(=O)N(c2cccc(F)c2)C1=O ZINC000000098411 425536416 /nfs/dbraw/zinc/53/64/16/425536416.db2.gz LNZSCSIQWZFWGV-AWEZNQCLSA-N 0 0 316.357 2.832 50 0 DFAARN Cc1nnsc1C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000000110197 425537303 /nfs/dbraw/zinc/53/73/03/425537303.db2.gz KDQVVEKONAPEMW-UHFFFAOYSA-N 0 0 315.398 2.582 50 0 DFAARN CCOC(=O)C1CCN(c2ncnc3c(C)csc32)CC1 ZINC000000118085 425537364 /nfs/dbraw/zinc/53/73/64/425537364.db2.gz IYJGGWMJIDYZNP-UHFFFAOYSA-N 0 0 305.403 2.779 50 0 DFAARN COc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000119627 425537692 /nfs/dbraw/zinc/53/76/92/425537692.db2.gz MRHNWTODGOYUBO-NSHDSACASA-N 0 0 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NWXGYSYAXPYBSQ-DLBZAZTESA-N 0 0 319.401 2.844 50 0 DFAARN COc1ccc2c(ccn2CC(=O)Nc2ccc(N(C)C)cn2)c1 ZINC000068802783 190783575 /nfs/dbraw/zinc/78/35/75/190783575.db2.gz STLIWWQNYSNJED-UHFFFAOYSA-N 0 0 324.384 2.750 50 0 DFAARN COc1c(CO)cc(C)cc1Cc1cc(C)cc(CO)c1OC ZINC000032105854 398526100 /nfs/dbraw/zinc/52/61/00/398526100.db2.gz WJNZJHXTNALYLS-UHFFFAOYSA-N 0 0 316.397 2.896 50 0 DFAARN CCN(C)c1cccc(NC(=O)c2cc3c([nH]c2=O)CCC3)c1 ZINC000069656758 190802928 /nfs/dbraw/zinc/80/29/28/190802928.db2.gz ROTBWWZLNYWGNB-UHFFFAOYSA-N 0 0 311.385 2.572 50 0 DFAARN O=C(/C=C/c1ccc(F)cc1)N1CCCC[C@H]1C1OCCO1 ZINC000069656353 190802704 /nfs/dbraw/zinc/80/27/04/190802704.db2.gz SRUWRQURFMITPZ-PPYMECGQSA-N 0 0 305.349 2.593 50 0 DFAARN CCC12CN3CC(CC)(CN(C1)C3c1ccc(OC)cc1)C2=O ZINC000019323100 282530792 /nfs/dbraw/zinc/53/07/92/282530792.db2.gz XFOIKPJYEBNGRH-UHFFFAOYSA-N 0 0 314.429 2.701 50 0 DFAARN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2C[C@@H]2C)c(C)c1 ZINC000069737969 190808750 /nfs/dbraw/zinc/80/87/50/190808750.db2.gz MBSQFWWFAAWSBC-WHOFXGATSA-N 0 0 318.442 2.799 50 0 DFAARN Cc1nnc2n1C[C@H](CNc1ccnc(-c3ccccc3)n1)CC2 ZINC000069738437 190808975 /nfs/dbraw/zinc/80/89/75/190808975.db2.gz UGAYCCXLTWHDMB-AWEZNQCLSA-N 0 0 320.400 2.718 50 0 DFAARN C[C@H](SCc1nc(N)c2ccccc2n1)C(=O)NC(C)(C)C ZINC000069769454 190814427 /nfs/dbraw/zinc/81/44/27/190814427.db2.gz PGMHWKDFQOXLNX-JTQLQIEISA-N 0 0 318.446 2.748 50 0 DFAARN Cc1ccc(-c2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C)s1 ZINC000069807677 190820100 /nfs/dbraw/zinc/82/01/00/190820100.db2.gz SABPJRPQUBIRAG-VIFPVBQESA-N 0 0 321.427 2.706 50 0 DFAARN Cc1c(NC(=O)NC[C@H]2CCCO2)cccc1OC(F)F ZINC000069808897 190820860 /nfs/dbraw/zinc/82/08/60/190820860.db2.gz XFZCEMVERYAMNN-SNVBAGLBSA-N 0 0 300.305 2.897 50 0 DFAARN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCc2ccccc21 ZINC000095426805 295772661 /nfs/dbraw/zinc/77/26/61/295772661.db2.gz ROGHFFMEGFWPEY-RHSMWYFYSA-N 0 0 318.442 2.813 50 0 DFAARN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCc2cccc(F)c21 ZINC000069893025 190833731 /nfs/dbraw/zinc/83/37/31/190833731.db2.gz SLNGGIWPIYJUBM-JSGCOSHPSA-N 0 0 307.365 2.689 50 0 DFAARN CN(CC(=O)N1CCC[C@H]1c1ccc[nH]1)C(=O)OC(C)(C)C ZINC000069896965 190834929 /nfs/dbraw/zinc/83/49/29/190834929.db2.gz FXEKEOPMYDRRQG-ZDUSSCGKSA-N 0 0 307.394 2.545 50 0 DFAARN O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H](n2ccnc2)C1 ZINC000069917635 190837393 /nfs/dbraw/zinc/83/73/93/190837393.db2.gz DWGFBUBJWRSVSF-YESZJQIVSA-N 0 0 313.376 2.989 50 0 DFAARN Cc1cc(C)n([C@H]2CCCN(C(=O)Cc3ccc(C)nc3)C2)n1 ZINC000069951391 190842430 /nfs/dbraw/zinc/84/24/30/190842430.db2.gz ZGVDPTAHDMQCTG-KRWDZBQOSA-N 0 0 312.417 2.610 50 0 DFAARN CCc1cc2c(ncnc2NCCc2nncn2C2CC2)s1 ZINC000069974788 190845011 /nfs/dbraw/zinc/84/50/11/190845011.db2.gz XSGNTVOWMXXMPI-UHFFFAOYSA-N 0 0 314.418 2.835 50 0 DFAARN CCc1nccn1[C@H]1CCCN(C(=O)Cc2ccc(C)nc2)C1 ZINC000070004092 190847880 /nfs/dbraw/zinc/84/78/80/190847880.db2.gz BDTMZOHZXNVQTF-INIZCTEOSA-N 0 0 312.417 2.555 50 0 DFAARN O=C(c1cnc(C2CC2)s1)N1CCCC[C@H]1Cn1cccn1 ZINC000069970051 190844674 /nfs/dbraw/zinc/84/46/74/190844674.db2.gz JYKPIYLGMYPMTL-ZDUSSCGKSA-N 0 0 316.430 2.912 50 0 DFAARN O=C(Cc1ccccc1O)Nc1cnc(-c2cccc(O)c2)nc1 ZINC000070018523 190850313 /nfs/dbraw/zinc/85/03/13/190850313.db2.gz YMOXYVMSRLAPGQ-UHFFFAOYSA-N 0 0 321.336 2.736 50 0 DFAARN Cc1cnn(C[C@@H]2CCCN2C(=O)CCc2cccs2)c1 ZINC000070013732 190849143 /nfs/dbraw/zinc/84/91/43/190849143.db2.gz MNHHKTMDPWAATQ-AWEZNQCLSA-N 0 0 303.431 2.877 50 0 DFAARN O=C1Nc2ccccc2[C@@]12SCCC(=O)N2c1ccccc1 ZINC000039932461 398560600 /nfs/dbraw/zinc/56/06/00/398560600.db2.gz BUJSWDJJOWNKRK-QGZVFWFLSA-N 0 0 310.378 2.962 50 0 DFAARN O=C1c2cnccc2[C@](O)(c2ccccc2)N1Cc1ccccc1 ZINC000039930389 398560181 /nfs/dbraw/zinc/56/01/81/398560181.db2.gz VSTGGTUGMLLPRA-HXUWFJFHSA-N 0 0 316.360 2.931 50 0 DFAARN Cc1cccc2c1ncnc2N(C)C[C@H]1CCc2nccn2C1 ZINC000328620356 398566170 /nfs/dbraw/zinc/56/61/70/398566170.db2.gz GXWYCEKRTAWQAE-CQSZACIVSA-N 0 0 307.401 2.834 50 0 DFAARN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cc2ccccc2[nH]1 ZINC000328630825 398567937 /nfs/dbraw/zinc/56/79/37/398567937.db2.gz QGDDWHJTEGJGES-CYBMUJFWSA-N 0 0 308.385 2.699 50 0 DFAARN CCn1cnnc1[C@@H]1CN(Cc2ccc([C@H]3C[C@H]3C)o2)CCO1 ZINC000328639854 398568802 /nfs/dbraw/zinc/56/88/02/398568802.db2.gz PRXDVJAIIVMZKY-INWMFGNUSA-N 0 0 316.405 2.588 50 0 DFAARN CCn1cnnc1[C@@H]1CN(Cc2ccc([C@H]3C[C@@H]3C)o2)CCO1 ZINC000328639855 398568589 /nfs/dbraw/zinc/56/85/89/398568589.db2.gz PRXDVJAIIVMZKY-NOLJZWGESA-N 0 0 316.405 2.588 50 0 DFAARN Fc1ccc(C2=Nn3c(nnc3C(F)(F)F)SC2)c(F)c1 ZINC000006828729 282975353 /nfs/dbraw/zinc/97/53/53/282975353.db2.gz OXIZDVBUPFEVIO-UHFFFAOYSA-N 0 0 320.246 2.933 50 0 DFAARN [O-]c1c([C@@H](c2ccccc2)[NH+]2CCCC2)sc2ncnn12 ZINC000041637753 398571114 /nfs/dbraw/zinc/57/11/14/398571114.db2.gz VEDCBOJVTWRIIL-GFCCVEGCSA-N 0 0 300.387 2.682 50 0 DFAARN Cc1cnn(C2CN([C@@H](C)c3nc(-c4cccs4)no3)C2)c1 ZINC000069702724 398581357 /nfs/dbraw/zinc/58/13/57/398581357.db2.gz BXIZVAUOJMMBNH-NSHDSACASA-N 0 0 315.402 2.921 50 0 DFAARN COCCCNC(=O)Nc1ccc(N2CCSCC2)c(C)c1 ZINC000069895998 398588407 /nfs/dbraw/zinc/58/84/07/398588407.db2.gz WAFIIQTYOLKVQQ-UHFFFAOYSA-N 0 0 323.462 2.706 50 0 DFAARN O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000065538677 295798440 /nfs/dbraw/zinc/79/84/40/295798440.db2.gz KYSXNVXJRMWWRR-SDDRHHMPSA-N 0 0 315.339 2.683 50 0 DFAARN Cc1cc(C)n(C[C@H]2CCCCN2Cc2nc(C3CC3)no2)n1 ZINC000070006100 398591067 /nfs/dbraw/zinc/59/10/67/398591067.db2.gz ZCQOBOISZVPGLL-OAHLLOKOSA-N 0 0 315.421 2.815 50 0 DFAARN Cc1cnn(CCN[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000070004998 398591372 /nfs/dbraw/zinc/59/13/72/398591372.db2.gz NLVZJVLNRBSSCF-NSHDSACASA-N 0 0 303.391 2.654 50 0 DFAARN O=C(c1ncccc1O)N1CCO[C@H](CC2CCCCC2)C1 ZINC000071707861 191011600 /nfs/dbraw/zinc/01/16/00/191011600.db2.gz UYIMUXHLEJYTTJ-CQSZACIVSA-N 0 0 304.390 2.599 50 0 DFAARN COc1ccccc1-c1ccc(N[C@@H](C)Cc2cnccn2)nn1 ZINC000071760251 191026173 /nfs/dbraw/zinc/02/61/73/191026173.db2.gz BGKYGBIZNVTCRY-ZDUSSCGKSA-N 0 0 321.384 2.985 50 0 DFAARN Cc1ncsc1CCN(C)C(=O)c1cnc(C(C)C)nc1C ZINC000071746459 191019489 /nfs/dbraw/zinc/01/94/89/191019489.db2.gz WANAALBUZXXXSJ-UHFFFAOYSA-N 0 0 318.446 2.988 50 0 DFAARN COc1cccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c1OC ZINC000071757091 191025345 /nfs/dbraw/zinc/02/53/45/191025345.db2.gz FEGPSOVZMZOURB-CUFDPUGPSA-N 0 0 301.386 2.822 50 0 DFAARN FC(F)(F)[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CCO1 ZINC000071759790 191026561 /nfs/dbraw/zinc/02/65/61/191026561.db2.gz OFKYOVXSEQLLRT-ZDUSSCGKSA-N 0 0 309.291 2.911 50 0 DFAARN COc1cc2c(cc1-c1nccn1[C@@H](C)c1ccncn1)OCO2 ZINC000071764206 191027785 /nfs/dbraw/zinc/02/77/85/191027785.db2.gz FDAMXJCBGGBQPL-NSHDSACASA-N 0 0 324.340 2.687 50 0 DFAARN CCCc1nnc(C(=O)N(C)Cc2cccc3cnccc32)o1 ZINC000071764337 191028173 /nfs/dbraw/zinc/02/81/73/191028173.db2.gz FDIYBNPOEPPOHE-UHFFFAOYSA-N 0 0 310.357 2.843 50 0 DFAARN Cc1nc(C(C)C)ncc1C(=O)N[C@H](C)c1nncn1C(C)C ZINC000071767981 191028595 /nfs/dbraw/zinc/02/85/95/191028595.db2.gz RHHVXCPBJDBBHC-GFCCVEGCSA-N 0 0 316.409 2.572 50 0 DFAARN Cc1cccc(CSc2nc3cc(F)ccc3c(=O)n2N)c1 ZINC000071768808 191029230 /nfs/dbraw/zinc/02/92/30/191029230.db2.gz WXDSSFWOEFQPQW-UHFFFAOYSA-N 0 0 315.373 2.850 50 0 DFAARN O=C(COCC1CC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000084583273 192443511 /nfs/dbraw/zinc/44/35/11/192443511.db2.gz CCQBPDIRCSQLLP-CQSZACIVSA-N 0 0 313.401 2.696 50 0 DFAARN CN1C[C@@]2(CCCN(Cc3nc4ccccc4s3)C2)OC1=O ZINC000072134420 191047104 /nfs/dbraw/zinc/04/71/04/191047104.db2.gz LZZPNMHYDXOBGP-MRXNPFEDSA-N 0 0 317.414 2.713 50 0 DFAARN CC(C)N(Cc1ccccn1)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000071821353 398611927 /nfs/dbraw/zinc/61/19/27/398611927.db2.gz CBLNNRREKSQCHO-UHFFFAOYSA-N 0 0 321.380 2.974 50 0 DFAARN O=C(NC[C@@H]1Cc2ccccc21)c1cc2ccccc2c(=O)[nH]1 ZINC000071821317 398612265 /nfs/dbraw/zinc/61/22/65/398612265.db2.gz AEFHWWNARUICAR-AWEZNQCLSA-N 0 0 304.349 2.598 50 0 DFAARN CCc1ccccc1O[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1O ZINC000072115748 191038001 /nfs/dbraw/zinc/03/80/01/191038001.db2.gz KOPIKYRAMITANH-BMFZPTHFSA-N 0 0 305.418 2.778 50 0 DFAARN O=C(NC1CCCC1)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072117422 191039013 /nfs/dbraw/zinc/03/90/13/191039013.db2.gz QGPSIBNGPFKZFZ-UHFFFAOYSA-N 0 0 300.333 2.853 50 0 DFAARN Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(N)=O)c1C ZINC000072117278 191039242 /nfs/dbraw/zinc/03/92/42/191039242.db2.gz ZXNMVGGFXBQHMG-CYBMUJFWSA-N 0 0 312.369 2.808 50 0 DFAARN CCn1nc(CC(C)C)cc1C(=O)N1CC(c2ccncc2)C1 ZINC000072125326 191041365 /nfs/dbraw/zinc/04/13/65/191041365.db2.gz KWIHOZOILXQZNZ-UHFFFAOYSA-N 0 0 312.417 2.736 50 0 DFAARN CCCc1nc2c(cnn2C)c(N[C@@H](C)c2c(C)n[nH]c2C)n1 ZINC000072125616 191042085 /nfs/dbraw/zinc/04/20/85/191042085.db2.gz AVOZEKAHLHFRDJ-VIFPVBQESA-N 0 0 313.409 2.829 50 0 DFAARN COCc1nc2c(cnn2C)c(N[C@@H](C)CCc2ccco2)n1 ZINC000072129202 191043700 /nfs/dbraw/zinc/04/37/00/191043700.db2.gz DAXHUNIBGYAKAC-NSHDSACASA-N 0 0 315.377 2.536 50 0 DFAARN O=C(NCCc1c[nH]cn1)c1csc(-c2cccs2)n1 ZINC000072126698 191043836 /nfs/dbraw/zinc/04/38/36/191043836.db2.gz YTNYPKGLBJBBTM-UHFFFAOYSA-N 0 0 304.400 2.567 50 0 DFAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 ZINC000072235226 398613736 /nfs/dbraw/zinc/61/37/36/398613736.db2.gz VBVAKBBVIJXSQU-GOSISDBHSA-N 0 0 324.428 2.861 50 0 DFAARN CCc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cc1 ZINC000072235177 398613801 /nfs/dbraw/zinc/61/38/01/398613801.db2.gz DZWPQTSFTCTIML-QGZVFWFLSA-N 0 0 312.417 2.935 50 0 DFAARN COc1ccc([C@@H](C)Nc2cc(C)nc3ncnn32)cc1F ZINC000139415204 186022474 /nfs/dbraw/zinc/02/24/74/186022474.db2.gz UJFWSLLGAQIKFW-SNVBAGLBSA-N 0 0 301.325 2.754 50 0 DFAARN O=C(c1sccc1C1CC1)N1CCC[C@H](n2cncn2)C1 ZINC000072272128 398614274 /nfs/dbraw/zinc/61/42/74/398614274.db2.gz LCRCUCJVQDAACU-LBPRGKRZSA-N 0 0 302.403 2.694 50 0 DFAARN O=C(Cc1cn2ccsc2n1)Nc1ccnn1-c1ccccc1 ZINC000072303405 398614863 /nfs/dbraw/zinc/61/48/63/398614863.db2.gz VOLFGFYERBFGRT-UHFFFAOYSA-N 0 0 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DFAARN O=C(Nc1cccnc1)c1cccc(I)c1 ZINC000000235444 425547207 /nfs/dbraw/zinc/54/72/07/425547207.db2.gz HBUBMVNSVLQQJD-UHFFFAOYSA-N 0 0 324.121 2.939 50 0 DFAARN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000000249294 425547516 /nfs/dbraw/zinc/54/75/16/425547516.db2.gz CJLDYWNUVWYGID-LBPRGKRZSA-N 0 0 321.398 2.743 50 0 DFAARN CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O ZINC000000243723 425548112 /nfs/dbraw/zinc/54/81/12/425548112.db2.gz IZGJRVSWDWAPIW-UHFFFAOYSA-N 0 0 309.321 2.972 50 0 DFAARN Fc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000000238406 425548408 /nfs/dbraw/zinc/54/84/08/425548408.db2.gz NCZGGOSVDCGMAW-UHFFFAOYSA-N 0 0 314.360 2.877 50 0 DFAARN CNC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccc(C)cc1 ZINC000000251501 425548424 /nfs/dbraw/zinc/54/84/24/425548424.db2.gz NONJPWADKUJKRW-LFIBNONCSA-N 0 0 312.344 2.651 50 0 DFAARN FC(F)Oc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 ZINC000000240088 425548706 /nfs/dbraw/zinc/54/87/06/425548706.db2.gz GLMXAWIDGIPXOB-NSHDSACASA-N 0 0 302.346 2.753 50 0 DFAARN O=C(Nc1ccc(I)cc1)c1cccnc1 ZINC000000242102 425548759 /nfs/dbraw/zinc/54/87/59/425548759.db2.gz JBBLNNNTVHENAX-UHFFFAOYSA-N 0 0 324.121 2.939 50 0 DFAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(N)=O)cc3n2)cc1 ZINC000000271904 425549173 /nfs/dbraw/zinc/54/91/73/425549173.db2.gz XFXBJPDZLZZWFI-UHFFFAOYSA-N 0 0 320.274 2.822 50 0 DFAARN CCOC(=O)CNc1ccc(I)cc1C ZINC000000272305 425549888 /nfs/dbraw/zinc/54/98/88/425549888.db2.gz JDHKJWNKLTWKDG-UHFFFAOYSA-N 0 0 319.142 2.575 50 0 DFAARN Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000000266483 425550048 /nfs/dbraw/zinc/55/00/48/425550048.db2.gz VZSANIPPAPURMC-UHFFFAOYSA-N 0 0 309.304 2.856 50 0 DFAARN CC(C)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000007374325 425642841 /nfs/dbraw/zinc/64/28/41/425642841.db2.gz WFIQKBUPSJCPCZ-UHFFFAOYSA-N 0 0 306.225 2.774 50 0 DFAARN COc1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1 ZINC000007407643 425644449 /nfs/dbraw/zinc/64/44/49/425644449.db2.gz AVDGTCFUASWAJZ-UHFFFAOYSA-N 0 0 316.332 2.545 50 0 DFAARN C[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000007533654 425645648 /nfs/dbraw/zinc/64/56/48/425645648.db2.gz OBTXUAVZODDJTK-SECBINFHSA-N 0 0 319.338 2.661 50 0 DFAARN O=C(c1ccc(N2CCOCC2)cc1)N1CCc2ccccc21 ZINC000007504526 425645890 /nfs/dbraw/zinc/64/58/90/425645890.db2.gz BSHKTWJPUOMTSZ-UHFFFAOYSA-N 0 0 308.381 2.726 50 0 DFAARN Cc1nc(NC(=O)CSc2nc[nH]n2)c(Cl)cc1Cl ZINC000007603401 425646984 /nfs/dbraw/zinc/64/69/84/425646984.db2.gz NRCKDRBATLMFRQ-UHFFFAOYSA-N 0 0 318.189 2.546 50 0 DFAARN Cc1cccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1C ZINC000007609955 425647436 /nfs/dbraw/zinc/64/74/36/425647436.db2.gz KWUGZGARMCIIJV-CJNGLKHVSA-N 0 0 304.415 2.696 50 0 DFAARN Cc1cc2nc(C)c(CCC(=O)Nc3nccs3)c(C)n2n1 ZINC000007667073 425648597 /nfs/dbraw/zinc/64/85/97/425648597.db2.gz NRHWLOKHTLAPEJ-UHFFFAOYSA-N 0 0 315.402 2.682 50 0 DFAARN Cc1cc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)n2)no1 ZINC000007629417 425649108 /nfs/dbraw/zinc/64/91/08/425649108.db2.gz IAGHDHMDIYCYRA-LLVKDONJSA-N 0 0 306.391 2.818 50 0 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311.337 2.569 50 0 DFAARN Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)oc1C ZINC000008333754 425667179 /nfs/dbraw/zinc/66/71/79/425667179.db2.gz FNULTXAYGCPZOU-UHFFFAOYSA-N 0 0 306.343 2.751 50 0 DFAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2nnsc2Cl)c1C ZINC000008329049 425667766 /nfs/dbraw/zinc/66/77/66/425667766.db2.gz ZKVWMMVPZHQIRK-UHFFFAOYSA-N 0 0 313.766 2.696 50 0 DFAARN CCOC(=O)c1cc(NC(=O)Nc2cccnc2)c(C)nc1C ZINC000008338004 425668107 /nfs/dbraw/zinc/66/81/07/425668107.db2.gz SCDFFJWVVMAXJI-UHFFFAOYSA-N 0 0 314.345 2.914 50 0 DFAARN CCCCC(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000008391271 425668204 /nfs/dbraw/zinc/66/82/04/425668204.db2.gz LUZRKWMSXHHIAL-LLVKDONJSA-N 0 0 309.362 2.723 50 0 DFAARN Cc1noc2ncnc(N3CCN(c4cc(C)ccc4C)CC3)c12 ZINC000008595944 425670360 /nfs/dbraw/zinc/67/03/60/425670360.db2.gz NCOQCGQZUHJNIZ-UHFFFAOYSA-N 0 0 323.400 2.870 50 0 DFAARN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCc1cccc(C)c1 ZINC000008607600 425671250 /nfs/dbraw/zinc/67/12/50/425671250.db2.gz YRSGORRJKNTANN-GOSISDBHSA-N 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311.341 2.661 50 0 DFAARN CCOc1ccc(C(C)=O)cc1COc1ccccc1C(N)=O ZINC000008745153 425675681 /nfs/dbraw/zinc/67/56/81/425675681.db2.gz HZGLZFZBORPDRM-UHFFFAOYSA-N 0 0 313.353 2.966 50 0 DFAARN Cc1cc(NC(=O)Cn2ccccc2=O)ccc1Br ZINC000008877044 425677354 /nfs/dbraw/zinc/67/73/54/425677354.db2.gz KOAHUNWLUBQNJY-UHFFFAOYSA-N 0 0 321.174 2.558 50 0 DFAARN CCCc1nn(C)c2c1nc(-c1ccccc1OCC)[nH]c2=O ZINC000008855176 425677789 /nfs/dbraw/zinc/67/77/89/425677789.db2.gz MXQUEDUMKWBYHI-UHFFFAOYSA-N 0 0 312.373 2.675 50 0 in-vitro DFAARN Cc1ccccc1NC(=O)CN1C(=S)NC(C)(C)C[C@H]1C ZINC000008829997 425678105 /nfs/dbraw/zinc/67/81/05/425678105.db2.gz YFNJNABPUXFBSX-GFCCVEGCSA-N 0 0 305.447 2.681 50 0 DFAARN O=C(COC(=O)c1ccc(F)cc1Cl)NCc1ccco1 ZINC000003219341 425612089 /nfs/dbraw/zinc/61/20/89/425612089.db2.gz AYCKEFIBSYJJIU-UHFFFAOYSA-N 0 0 311.696 2.545 50 0 DFAARN Cc1cccc(C(C)C)c1NC(=O)CSc1nncn1C ZINC000003225309 425612454 /nfs/dbraw/zinc/61/24/54/425612454.db2.gz MIVWFAWOBMRZCS-UHFFFAOYSA-N 0 0 304.419 2.978 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/nfs/dbraw/zinc/31/16/85/426311685.db2.gz WZJMXIDGZHGQAG-UHFFFAOYSA-N 0 0 308.447 2.581 50 0 DFAARN O=C(Nc1cccc2[nH]cnc21)c1cccc(OCC(F)F)n1 ZINC000089830087 426312071 /nfs/dbraw/zinc/31/20/71/426312071.db2.gz HDPOCBPFUBQPTD-UHFFFAOYSA-N 0 0 318.283 2.854 50 0 DFAARN O=C(Nc1ccnn1Cc1ccccc1)c1cnc2n1CCCC2 ZINC000089840912 426312701 /nfs/dbraw/zinc/31/27/01/426312701.db2.gz GOFAKZRYAUCJAE-UHFFFAOYSA-N 0 0 321.384 2.717 50 0 DFAARN CC(C)Cc1cc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)n[nH]1 ZINC000089856498 426313488 /nfs/dbraw/zinc/31/34/88/426313488.db2.gz AQKUUTJKRLZEMZ-UHFFFAOYSA-N 0 0 310.361 2.646 50 0 DFAARN c1ccc(-c2nnc3n2CCN(c2nc(C4CC4)ns2)C3)cc1 ZINC000089853173 426313596 /nfs/dbraw/zinc/31/35/96/426313596.db2.gz XDTZPFSNTYEYTL-UHFFFAOYSA-N 0 0 324.413 2.694 50 0 DFAARN O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccn[nH]1 ZINC000089878978 426315085 /nfs/dbraw/zinc/31/50/85/426315085.db2.gz OZLCGGXREAKNNB-HNNXBMFYSA-N 0 0 312.760 2.978 50 0 DFAARN COc1ccc(OC(C)C)c(NC(=O)NCc2ncc[nH]2)c1 ZINC000089888084 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CC[S@](=O)Cc1nc(-c2cc(Br)cs2)no1 ZINC000089104592 426279204 /nfs/dbraw/zinc/27/92/04/426279204.db2.gz AWRYFNQZTKBWCA-MRXNPFEDSA-N 0 0 321.221 2.829 50 0 DFAARN CCc1cc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)[nH]n1 ZINC000089282739 426285027 /nfs/dbraw/zinc/28/50/27/426285027.db2.gz BTLYPBKDFOUDNV-ZDUSSCGKSA-N 0 0 319.430 2.855 50 0 DFAARN CCS[C@H](C)c1noc(CN(C)CCCn2ccnc2)n1 ZINC000089274819 426285099 /nfs/dbraw/zinc/28/50/99/426285099.db2.gz YBIDHNGMCCVASZ-GFCCVEGCSA-N 0 0 309.439 2.602 50 0 DFAARN CCc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)[nH]n1 ZINC000089282740 426285157 /nfs/dbraw/zinc/28/51/57/426285157.db2.gz BTLYPBKDFOUDNV-CYBMUJFWSA-N 0 0 319.430 2.855 50 0 DFAARN CCn1nccc1/C=C/C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000089300382 426285710 /nfs/dbraw/zinc/28/57/10/426285710.db2.gz LJEHGCXJDOBWEA-BQYQJAHWSA-N 0 0 315.421 2.877 50 0 DFAARN Cc1nc(C2(NC(=O)Nc3ccc(F)cn3)CCCC2)no1 ZINC000122793952 426394780 /nfs/dbraw/zinc/39/47/80/426394780.db2.gz KRINNWTWLWTCLN-UHFFFAOYSA-N 0 0 305.313 2.503 50 0 DFAARN C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Cn1ccnc1 ZINC000153628277 426395700 /nfs/dbraw/zinc/39/57/00/426395700.db2.gz DLPRZHNMICJPCX-LLVKDONJSA-N 0 0 309.772 2.671 50 0 DFAARN CO[C@@]1(CNC(=O)/C=C/c2ccccc2Cl)CCSC1 ZINC000096097598 426395918 /nfs/dbraw/zinc/39/59/18/426395918.db2.gz XHSFWCGVCCLJFS-LQYUOIDQSA-N 0 0 311.834 2.992 50 0 DFAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1Cc2cncnc2C1 ZINC000096098278 426396079 /nfs/dbraw/zinc/39/60/79/426396079.db2.gz YPUKHMMDYNWHMZ-UHFFFAOYSA-N 0 0 317.776 2.830 50 0 DFAARN CCN(CC)S(=O)(=O)c1c(C(C)C)nc2sc(C)cn21 ZINC000096101763 426397631 /nfs/dbraw/zinc/39/76/31/426397631.db2.gz LKVJSYFIGKSNNM-UHFFFAOYSA-N 0 0 315.464 2.858 50 0 DFAARN Cn1cc(-c2noc(CCc3c[nH]c4ccccc34)n2)ccc1=O ZINC000096101798 426397784 /nfs/dbraw/zinc/39/77/84/426397784.db2.gz OUONRWKPWIMSCQ-UHFFFAOYSA-N 0 0 320.352 2.702 50 0 DFAARN CO[C@H](CNS(=O)(=O)c1cccs1)c1ccccc1C ZINC000096105058 426397923 /nfs/dbraw/zinc/39/79/23/426397923.db2.gz QYDYLBCNRPNERH-CYBMUJFWSA-N 0 0 311.428 2.723 50 0 DFAARN CO[C@H]1CCCN(c2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000096122417 426398913 /nfs/dbraw/zinc/39/89/13/426398913.db2.gz AHGUATHBKIJMNR-KRWDZBQOSA-N 0 0 311.385 2.949 50 0 DFAARN O=C(c1ccc2ncsc2c1)N1CCC2(CC1)OCCS2 ZINC000096120462 426399012 /nfs/dbraw/zinc/39/90/12/426399012.db2.gz UOPSBCDWKWQNTI-UHFFFAOYSA-N 0 0 320.439 2.992 50 0 DFAARN COc1ccc(CCC(=O)N[C@H]2CCOC(C)(C)C2)cc1OC ZINC000096114266 426399237 /nfs/dbraw/zinc/39/92/37/426399237.db2.gz WZAPMUURAPGDBG-AWEZNQCLSA-N 0 0 321.417 2.710 50 0 DFAARN COc1cccc(Cn2nc(-c3ccco3)n(C3CC3)c2=O)c1 ZINC000096119113 426399453 /nfs/dbraw/zinc/39/94/53/426399453.db2.gz NJPMEAJXIKBOJO-UHFFFAOYSA-N 0 0 311.341 2.697 50 0 DFAARN O=C(NCc1nc2ccccc2[nH]1)c1csc(NC2CC2)n1 ZINC000096116783 426399474 /nfs/dbraw/zinc/39/94/74/426399474.db2.gz TUTXOLWSVVEJGU-UHFFFAOYSA-N 0 0 313.386 2.524 50 0 DFAARN O=C(Nc1cnn([C@H]2CCOC2)c1)c1c(F)cccc1Cl ZINC000096123065 426400042 /nfs/dbraw/zinc/40/00/42/426400042.db2.gz UVXFNVFRKOEAEW-JTQLQIEISA-N 0 0 309.728 2.889 50 0 DFAARN Cc1nc(-c2cc3ccccc3n(C)c2=O)n(CC(F)(F)F)n1 ZINC000096139809 426400242 /nfs/dbraw/zinc/40/02/42/426400242.db2.gz OJWBAINWDAHDTP-UHFFFAOYSA-N 0 0 322.290 2.668 50 0 DFAARN CCSc1ccccc1NC(=O)NCCN1CCCOC1=O ZINC000096132092 426400477 /nfs/dbraw/zinc/40/04/77/426400477.db2.gz HLVRYRYZKKTUCL-UHFFFAOYSA-N 0 0 323.418 2.762 50 0 DFAARN c1sc(N2CCOCC2)nc1-c1ccc2nsnc2c1 ZINC000096124474 426400574 /nfs/dbraw/zinc/40/05/74/426400574.db2.gz IMPZRGGWJGDSDS-UHFFFAOYSA-N 0 0 304.400 2.651 50 0 DFAARN O=C(Cn1ccc2ccccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000096125618 426401069 /nfs/dbraw/zinc/40/10/69/426401069.db2.gz MMLDSGLYKUZQIA-APWZRJJASA-N 0 0 312.413 2.795 50 0 DFAARN COC(=O)c1ccc(C)c(NC(=O)NCCC[C@@H]2CCOC2)c1 ZINC000096137172 426401100 /nfs/dbraw/zinc/40/11/00/426401100.db2.gz CULKSJOWUWHZMR-CYBMUJFWSA-N 0 0 320.389 2.720 50 0 DFAARN C[C@@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)C[C@H](C)[NH2+]1 ZINC000153713723 426401337 /nfs/dbraw/zinc/40/13/37/426401337.db2.gz NHKJNFUAOVCCOS-BETUJISGSA-N 0 0 320.408 2.575 50 0 DFAARN CC(C)(O)CCc1cccc(-c2nc([C@@H]3CCOC3)no2)c1 ZINC000096151199 426402407 /nfs/dbraw/zinc/40/24/07/426402407.db2.gz GEVIXYRBSOGNMB-CQSZACIVSA-N 0 0 302.374 2.944 50 0 DFAARN Cc1nc([C@@H]2COCCO2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000096150003 426402564 /nfs/dbraw/zinc/40/25/64/426402564.db2.gz QPBAJTNJYQIKPK-LBPRGKRZSA-N 0 0 314.172 2.970 50 0 DFAARN CN(Cc1ccco1)C(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000122915433 426402577 /nfs/dbraw/zinc/40/25/77/426402577.db2.gz DQPQUYKXQYLMBM-UHFFFAOYSA-N 0 0 315.354 2.891 50 0 DFAARN O=C(Nc1ccccc1)C(Cl)(Cl)C(=O)C(F)(F)F ZINC000096171743 426402966 /nfs/dbraw/zinc/40/29/66/426402966.db2.gz FMBFFZJADNXZIE-UHFFFAOYSA-N 0 0 300.063 2.930 50 0 DFAARN CSCCc1nc(-c2ccon2)n(-c2ccc(F)cc2)n1 ZINC000096180428 426403191 /nfs/dbraw/zinc/40/31/91/426403191.db2.gz GLVMALKOUZRKGG-UHFFFAOYSA-N 0 0 304.350 2.967 50 0 DFAARN CCCCOc1cc(F)ccc1-c1cnn([C@H](C)C(N)=O)c1 ZINC000096179900 426403294 /nfs/dbraw/zinc/40/32/94/426403294.db2.gz IQTRSMMHJSGTTE-LLVKDONJSA-N 0 0 305.353 2.914 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DFAARN CCCc1nc(C(=O)NCc2noc(-c3ccco3)n2)cs1 ZINC000065388143 184334162 /nfs/dbraw/zinc/33/41/62/184334162.db2.gz JNJXXOXCOQWMGT-UHFFFAOYSA-N 0 0 318.358 2.669 50 0 DFAARN COc1ncccc1CNC(=O)Cc1c(F)cccc1Cl ZINC000065266721 184319007 /nfs/dbraw/zinc/31/90/07/184319007.db2.gz JKDCDNRXLJSPHO-UHFFFAOYSA-N 0 0 308.740 2.742 50 0 DFAARN Cc1ccc(-c2cn3c(n2)N(C(=O)[C@H]2CCCO2)CCC3)cc1 ZINC000065259503 184319292 /nfs/dbraw/zinc/31/92/92/184319292.db2.gz HVMPBUZPQBADQD-MRXNPFEDSA-N 0 0 311.385 2.774 50 0 DFAARN Cc1nnc(C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)[nH]1 ZINC000065287392 184322746 /nfs/dbraw/zinc/32/27/46/184322746.db2.gz PHQHGHJQOSAYIY-UHFFFAOYSA-N 0 0 322.771 2.925 50 0 DFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nc(C3CCC3)oc2C)C1 ZINC000065293527 184323664 /nfs/dbraw/zinc/32/36/64/184323664.db2.gz NHOPZEGDHHNGRL-CYBMUJFWSA-N 0 0 320.389 2.666 50 0 DFAARN CC1(C)CN(C(=O)NCc2cccc(OC(F)F)c2)CCO1 ZINC000065291926 184323886 /nfs/dbraw/zinc/32/38/86/184323886.db2.gz VUHNVEVAEVVUKY-UHFFFAOYSA-N 0 0 314.332 2.608 50 0 DFAARN Cc1nn(C)c(Cl)c1CN(C)Cc1noc(CC(C)C)n1 ZINC000065394311 184334937 /nfs/dbraw/zinc/33/49/37/184334937.db2.gz VBIVWYKVDDHHNR-UHFFFAOYSA-N 0 0 311.817 2.595 50 0 DFAARN COc1cccc(C[C@@H]2CCCN2c2ncnc3c2cnn3C)c1 ZINC000065410450 184339886 /nfs/dbraw/zinc/33/98/86/184339886.db2.gz PBBTWHDLKJTRNT-AWEZNQCLSA-N 0 0 323.400 2.583 50 0 DFAARN COc1cc(-c2n[nH]c(=O)n2-c2ccccc2Cl)ccc1O ZINC000065410248 184340313 /nfs/dbraw/zinc/34/03/13/184340313.db2.gz LEEVRQSWNJKNKX-UHFFFAOYSA-N 0 0 317.732 2.595 50 0 DFAARN Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C)n2C)on1 ZINC000065428358 184343315 /nfs/dbraw/zinc/34/33/15/184343315.db2.gz SROUOFCLEAJUOI-AWEZNQCLSA-N 0 0 302.378 2.677 50 0 DFAARN Cc1ccccc1-c1ncc(CN[C@@H]2C=CS(=O)(=O)C2)s1 ZINC000065435700 184344637 /nfs/dbraw/zinc/34/46/37/184344637.db2.gz PTOJFCIAUAZVDE-GFCCVEGCSA-N 0 0 320.439 2.519 50 0 DFAARN CNC(=O)CC1CCN(Cc2c(F)ccc(F)c2Cl)CC1 ZINC000065460592 184348898 /nfs/dbraw/zinc/34/88/98/184348898.db2.gz KLXTYINVYRBODZ-UHFFFAOYSA-N 0 0 316.779 2.966 50 0 DFAARN Cc1ccc(-c2nnc(CN(C)[C@H](C)c3ccon3)o2)n1C ZINC000065462045 184348955 /nfs/dbraw/zinc/34/89/55/184348955.db2.gz XPTAVGJQADCECH-LLVKDONJSA-N 0 0 301.350 2.565 50 0 DFAARN CC(C)Cc1nc(CN(C)Cc2cccc3c2OCO3)no1 ZINC000065462228 184348988 /nfs/dbraw/zinc/34/89/88/184348988.db2.gz CRPQFEJAADXPTN-UHFFFAOYSA-N 0 0 303.362 2.629 50 0 DFAARN Cc1csc([C@H]2CN(Cc3noc(C(C)C)n3)CCO2)n1 ZINC000065473911 184351122 /nfs/dbraw/zinc/35/11/22/184351122.db2.gz WBPYGFNIZKUFRN-LLVKDONJSA-N 0 0 308.407 2.531 50 0 DFAARN Cc1nnc(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)o1 ZINC000065487710 184352883 /nfs/dbraw/zinc/35/28/83/184352883.db2.gz BLBZEVLAEMISLP-NSHDSACASA-N 0 0 322.434 2.706 50 0 DFAARN Cc1cc(C)n(CC(=O)N2CCCCC[C@@H]2c2cccn2C)n1 ZINC000065401490 184336740 /nfs/dbraw/zinc/33/67/40/184336740.db2.gz NTVWGWOXGSMSIS-QGZVFWFLSA-N 0 0 314.433 2.982 50 0 DFAARN CCc1nc(CNC(=O)[C@@H](c2cccc(C)c2)N(C)C)cs1 ZINC000065404601 184337882 /nfs/dbraw/zinc/33/78/82/184337882.db2.gz JOFXQHXWZNJFFG-MRXNPFEDSA-N 0 0 317.458 2.933 50 0 DFAARN CCn1nc(CNC(=O)c2csc(C)n2)c2ccccc21 ZINC000065527819 184360033 /nfs/dbraw/zinc/36/00/33/184360033.db2.gz XEQRGCHVPQMKOY-UHFFFAOYSA-N 0 0 300.387 2.751 50 0 DFAARN CN(Cc1cccn1-c1ncccn1)Cc1ccc(Cl)nc1 ZINC000065530724 184360799 /nfs/dbraw/zinc/36/07/99/184360799.db2.gz XVVRRWWXLUDSHS-UHFFFAOYSA-N 0 0 313.792 2.948 50 0 DFAARN CCOc1ccccc1NC(=O)CC(=O)N1CC=C[C@@H]1C(C)C ZINC000065532377 184361827 /nfs/dbraw/zinc/36/18/27/184361827.db2.gz LJLBCRQOZNVNJF-OAHLLOKOSA-N 0 0 316.401 2.837 50 0 DFAARN Cc1ccccc1CNC(=O)Cn1nccc1-c1ccncc1 ZINC000065547890 184363949 /nfs/dbraw/zinc/36/39/49/184363949.db2.gz AUQANHMHWXSNMJ-UHFFFAOYSA-N 0 0 306.369 2.570 50 0 DFAARN COCCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C ZINC000065548517 184364396 /nfs/dbraw/zinc/36/43/96/184364396.db2.gz YNLDYMQDLPAXET-ZDUSSCGKSA-N 0 0 314.385 2.607 50 0 DFAARN CCCCn1c(SCC(C)(C)O)nnc1[C@H](CC)N(C)C ZINC000065554206 184365644 /nfs/dbraw/zinc/36/56/44/184365644.db2.gz YVMFRYBBZIZXGC-LBPRGKRZSA-N 0 0 314.499 2.954 50 0 DFAARN CCCN(CCO)C(=O)Nc1ccc(Br)cc1 ZINC000065562173 184366162 /nfs/dbraw/zinc/36/61/62/184366162.db2.gz USRVIAQUOOZUDI-UHFFFAOYSA-N 0 0 301.184 2.685 50 0 DFAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)c1cnn(C)c1 ZINC000065565378 184367359 /nfs/dbraw/zinc/36/73/59/184367359.db2.gz BQAUKGIZGQXHHG-UHFFFAOYSA-N 0 0 313.401 2.559 50 0 DFAARN Cc1nc(-c2ccccc2)n(CC(=O)NCc2ccccc2)n1 ZINC000065568387 184367548 /nfs/dbraw/zinc/36/75/48/184367548.db2.gz DGHBVIUNHHGPRJ-UHFFFAOYSA-N 0 0 306.369 2.570 50 0 DFAARN CS(=O)(=O)c1ccccc1NC(=O)NC[C@H]1CC=CCC1 ZINC000065575647 184367735 /nfs/dbraw/zinc/36/77/35/184367735.db2.gz PJHJXEGALXPQDB-LBPRGKRZSA-N 0 0 308.403 2.568 50 0 DFAARN CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)cc1Cl ZINC000065577794 184368029 /nfs/dbraw/zinc/36/80/29/184368029.db2.gz DRWBMEZGXXSKQD-LBPRGKRZSA-N 0 0 312.822 2.898 50 0 DFAARN CC(=O)NCCC(=O)N1CCC[C@@H]1Cc1cccc2ccccc21 ZINC000065578745 184368300 /nfs/dbraw/zinc/36/83/00/184368300.db2.gz RENPDGDFTNLYDQ-GOSISDBHSA-N 0 0 324.424 2.900 50 0 DFAARN CCCN(CCC)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000065593879 184370379 /nfs/dbraw/zinc/37/03/79/184370379.db2.gz ZAXMJNXAVDSENC-LBPRGKRZSA-N 0 0 315.410 2.637 50 0 DFAARN CCNC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000065593200 184370555 /nfs/dbraw/zinc/37/05/55/184370555.db2.gz FUMQKBYOASWZOC-LBPRGKRZSA-N 0 0 318.352 2.785 50 0 DFAARN COc1ccc2[nH]c(SCCCCC(=O)N(C)C)nc2c1 ZINC000065592011 184370600 /nfs/dbraw/zinc/37/06/00/184370600.db2.gz IHYUEZPTPDRHHR-UHFFFAOYSA-N 0 0 307.419 2.922 50 0 DFAARN Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cn1 ZINC000065594183 184371002 /nfs/dbraw/zinc/37/10/02/184371002.db2.gz YKZZQOLJGIDRMZ-UHFFFAOYSA-N 0 0 317.348 2.813 50 0 DFAARN CNC(=O)c1cnc(/C=C/c2cc(OC)cc(OC)c2)s1 ZINC000065594790 184371131 /nfs/dbraw/zinc/37/11/31/184371131.db2.gz ZNMBOQNLMNFKPV-SNAWJCMRSA-N 0 0 304.371 2.690 50 0 DFAARN Cc1nc(CCNC(=O)Cc2c[nH]c3cc(F)ccc23)cs1 ZINC000065605445 184371442 /nfs/dbraw/zinc/37/14/42/184371442.db2.gz MXPJGPYDBHZDEC-UHFFFAOYSA-N 0 0 317.389 2.973 50 0 DFAARN COc1ccc2nc(NC(=O)N[C@@H](C)[C@H]3CCCO3)sc2c1 ZINC000065607968 184372034 /nfs/dbraw/zinc/37/20/34/184372034.db2.gz HGTMMAIOHCMZHB-JOYOIKCWSA-N 0 0 321.402 2.994 50 0 DFAARN Cc1nc([C@H](C)n2cncn2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065502421 184356154 /nfs/dbraw/zinc/35/61/54/184356154.db2.gz CTNBLBGRTHLGLB-VIFPVBQESA-N 0 0 322.294 2.795 50 0 DFAARN C[C@H](c1nc(C2CC2)no1)N1CCC(c2cnn(C)c2)CC1 ZINC000065513565 184358059 /nfs/dbraw/zinc/35/80/59/184358059.db2.gz KGFPVYHWMJWYRO-LLVKDONJSA-N 0 0 301.394 2.621 50 0 DFAARN Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)c2cccs2)c(=O)[nH]1 ZINC000065515395 184358072 /nfs/dbraw/zinc/35/80/72/184358072.db2.gz PQCXBHVQESXLDZ-LBPRGKRZSA-N 0 0 319.430 2.956 50 0 DFAARN CC(=O)c1cccc(NC(=O)N[C@H](C)COCC(F)(F)F)c1 ZINC000065516158 184358163 /nfs/dbraw/zinc/35/81/63/184358163.db2.gz HOPDUISSFNYKBT-SECBINFHSA-N 0 0 318.295 2.978 50 0 DFAARN Cc1nc(NC(=O)NCCN2c3ccccc3C[C@H]2C)oc1C ZINC000065986514 184384353 /nfs/dbraw/zinc/38/43/53/184384353.db2.gz JVYPCOMSWDDBTH-LLVKDONJSA-N 0 0 314.389 2.864 50 0 DFAARN COc1ccc(CC[C@H](C)NC(=O)NCc2cccnc2)cc1 ZINC000065615170 184374165 /nfs/dbraw/zinc/37/41/65/184374165.db2.gz XOKUPCRUGJYQHZ-AWEZNQCLSA-N 0 0 313.401 2.911 50 0 DFAARN O=C(NCC[C@@H]1CCCO1)Nc1nc(-c2ccccc2)ns1 ZINC000065787381 184380250 /nfs/dbraw/zinc/38/02/50/184380250.db2.gz ISIYKYXJXPDDGO-LBPRGKRZSA-N 0 0 318.402 2.896 50 0 DFAARN CN(Cc1nc2ccccc2[nH]1)C(=O)CN(C)c1ccccc1 ZINC000065860274 184381625 /nfs/dbraw/zinc/38/16/25/184381625.db2.gz XHFYPAGVGMEUQU-UHFFFAOYSA-N 0 0 308.385 2.658 50 0 DFAARN Cc1ccc2cccc(NC(=O)[C@H]3CCCN3C(=O)C3CC3)c2n1 ZINC000066462268 184409576 /nfs/dbraw/zinc/40/95/76/184409576.db2.gz LOBJPGRTEVPYOX-MRXNPFEDSA-N 0 0 323.396 2.883 50 0 DFAARN COc1ccccc1NC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000067321089 184459803 /nfs/dbraw/zinc/45/98/03/184459803.db2.gz YOZQVPHBGGQGLY-GFCCVEGCSA-N 0 0 304.390 2.719 50 0 DFAARN Cc1ccc2cccc(NC(=O)C(=O)NC[C@H]3CC=CCC3)c2n1 ZINC000067557048 184472268 /nfs/dbraw/zinc/47/22/68/184472268.db2.gz UPUANQFKDYXBEQ-AWEZNQCLSA-N 0 0 323.396 2.954 50 0 DFAARN CCSc1nc(CC(=O)Nc2cnc3n2CCCC3)cs1 ZINC000067818695 184487003 /nfs/dbraw/zinc/48/70/03/184487003.db2.gz TYMMIWOYTYAMSX-UHFFFAOYSA-N 0 0 322.459 2.969 50 0 DFAARN CN(CC(F)(F)F)C(=O)c1ccccc1N(C)C(=O)C1CC1 ZINC000067681449 184479285 /nfs/dbraw/zinc/47/92/85/184479285.db2.gz AVCFFEOPARSCBK-UHFFFAOYSA-N 0 0 314.307 2.694 50 0 DFAARN COc1ccc(-c2n[nH]cc2Cn2cc3[nH]cccc-3c2=O)cc1 ZINC000067688633 184479881 /nfs/dbraw/zinc/47/98/81/184479881.db2.gz DFWZRJAUODBYJW-UHFFFAOYSA-N 0 0 320.352 2.636 50 0 DFAARN COc1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1 ZINC000068727130 184497331 /nfs/dbraw/zinc/49/73/31/184497331.db2.gz NEOILABGVFQAQD-UHFFFAOYSA-N 0 0 308.341 2.743 50 0 DFAARN Cc1ccc(/C=C/C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)o1 ZINC000069419353 184513650 /nfs/dbraw/zinc/51/36/50/184513650.db2.gz NXWDHVYWXCVPBP-XVJNWHFHSA-N 0 0 318.417 2.612 50 0 DFAARN COCC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000069438237 184514937 /nfs/dbraw/zinc/51/49/37/184514937.db2.gz KMWWKRFFVSWHGB-UHFFFAOYSA-N 0 0 313.357 2.593 50 0 DFAARN CC(=O)NCCC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000069453777 184515915 /nfs/dbraw/zinc/51/59/15/184515915.db2.gz GSKJCADPBKMEAV-SECBINFHSA-N 0 0 317.216 2.567 50 0 DFAARN NC(=O)c1cccc(C(=O)Nc2cccc(-n3cccc3)c2)c1 ZINC000069457831 184516625 /nfs/dbraw/zinc/51/66/25/184516625.db2.gz BPKSLUFMLHDBGY-UHFFFAOYSA-N 0 0 305.337 2.829 50 0 DFAARN C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](C)n1cncn1 ZINC000069557758 184525208 /nfs/dbraw/zinc/52/52/08/184525208.db2.gz ANVURHZYDKVPBB-KGLIPLIRSA-N 0 0 308.385 2.740 50 0 DFAARN CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000069568950 184527220 /nfs/dbraw/zinc/52/72/20/184527220.db2.gz QAYJJVCELATFJG-UHFFFAOYSA-N 0 0 324.324 2.671 50 0 DFAARN C[C@H](Sc1ccc(Cl)cn1)C(=O)NC[C@@H]1CCCO1 ZINC000119746463 195029043 /nfs/dbraw/zinc/02/90/43/195029043.db2.gz MWGJQEKOHVSKFT-ONGXEEELSA-N 0 0 300.811 2.511 50 0 DFAARN O=S(=O)(c1c[nH]cn1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000015671049 285046272 /nfs/dbraw/zinc/04/62/72/285046272.db2.gz ZXPRAELHUFQSCQ-LBPRGKRZSA-N 0 0 311.794 2.589 50 0 DFAARN CN(C)C(=O)c1ccnc(NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000269843456 207900490 /nfs/dbraw/zinc/90/04/90/207900490.db2.gz MYLOQFVDQUYXEG-MRXNPFEDSA-N 0 0 323.396 2.842 50 0 DFAARN Cc1nn(C)cc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000158872455 197307249 /nfs/dbraw/zinc/30/72/49/197307249.db2.gz YDRUDCLPKAWSDE-RMKNXTFCSA-N 0 0 310.445 2.560 50 0 DFAARN C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000158598765 197286434 /nfs/dbraw/zinc/28/64/34/197286434.db2.gz SNFQJTODAXEKQP-XMHCIUCPSA-N 0 0 323.462 2.518 50 0 DFAARN Cc1[nH]c(=S)sc1CC(=O)Nc1cc(C2CCC2)nn1C ZINC000158374258 197267464 /nfs/dbraw/zinc/26/74/64/197267464.db2.gz VSYXYHGITKHPTO-UHFFFAOYSA-N 0 0 322.459 2.922 50 0 DFAARN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)CC1CCOCC1 ZINC000347734551 285151591 /nfs/dbraw/zinc/15/15/91/285151591.db2.gz HPEUQZWJYBSFCP-NUJGCVRESA-N 0 0 309.450 2.735 50 0 DFAARN O=c1nc(-c2ccc3c(c2)OCO3)[nH]c2sc3c(c21)CCC3 ZINC000061002182 285194004 /nfs/dbraw/zinc/19/40/04/285194004.db2.gz ULEUOBNLMZUVIA-UHFFFAOYSA-N 0 0 312.350 2.869 50 0 DFAARN O=c1/c(=C\c2ccccc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000000531084 285193028 /nfs/dbraw/zinc/19/30/28/285193028.db2.gz NCNHELNGRNCWEO-GXDHUFHOSA-N 0 0 323.352 2.505 50 0 DFAARN O=c1[nH]c2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCC3 ZINC000008739476 285201301 /nfs/dbraw/zinc/20/13/01/285201301.db2.gz WBKALEGGTSSRGI-UHFFFAOYSA-N 0 0 318.785 2.883 50 0 DFAARN Cc1nc2ccc(NC(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc2o1 ZINC000155029698 197015594 /nfs/dbraw/zinc/01/55/94/197015594.db2.gz DQNNQBOOXVNPGN-VIFPVBQESA-N 0 0 319.361 2.988 50 0 DFAARN Cc1c(C(=O)NCc2cccnc2)nnn1-c1cc(C)cc(C)c1 ZINC000012274801 542420909 /nfs/dbraw/zinc/42/09/09/542420909.db2.gz MRSXWVLYYVOPIG-UHFFFAOYSA-N 0 0 321.384 2.518 50 0 DFAARN Cc1c(C(=O)NCC2CC2)sc2ncnc(NC3CC3)c12 ZINC000012279778 542421280 /nfs/dbraw/zinc/42/12/80/542421280.db2.gz GWYNQWVYEXMDCL-UHFFFAOYSA-N 0 0 302.403 2.714 50 0 DFAARN C[C@@H]1CC(C)(C)NC(=S)N1CCC(=O)Nc1ccc(F)cc1 ZINC000000211954 542415726 /nfs/dbraw/zinc/41/57/26/542415726.db2.gz HBUQYTLWCKOJDR-LLVKDONJSA-N 0 0 323.437 2.902 50 0 DFAARN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1F)C1CC1 ZINC000014183680 542422517 /nfs/dbraw/zinc/42/25/17/542422517.db2.gz SJIQCTUECHQCFC-UHFFFAOYSA-N 0 0 324.359 2.762 50 0 DFAARN O=C1SCCN1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000078440734 296412987 /nfs/dbraw/zinc/41/29/87/296412987.db2.gz XHUFKSSSMANBFQ-CYBMUJFWSA-N 0 0 312.822 2.840 50 0 DFAARN C[C@H](Sc1nnnn1C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003392024 542416840 /nfs/dbraw/zinc/41/68/40/542416840.db2.gz HSLXOHHOUSKNGG-JTQLQIEISA-N 0 0 304.419 2.871 50 0 DFAARN CCn1c(=O)cc(SCC(=O)N2CCCC2)c2ccccc21 ZINC000006736735 542417573 /nfs/dbraw/zinc/41/75/73/542417573.db2.gz USSQWLNKSOMTRA-UHFFFAOYSA-N 0 0 316.426 2.736 50 0 DFAARN CC(=O)c1ccc(OC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 ZINC000007401404 542418059 /nfs/dbraw/zinc/41/80/59/542418059.db2.gz WQKMZRLSTTUVNL-LJQANCHMSA-N 0 0 324.332 2.966 50 0 DFAARN C[C@@H](CCc1ccccc1)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000027935859 542429241 /nfs/dbraw/zinc/42/92/41/542429241.db2.gz ANSJYRCEZVAPNI-CABCVRRESA-N 0 0 310.463 2.574 50 0 DFAARN CCN1c2ccc(F)cc2[C@]2(SC(C)(C)CN2C(C)=O)C1=O ZINC000036152277 542431395 /nfs/dbraw/zinc/43/13/95/542431395.db2.gz HAHPXVODBVRYRL-INIZCTEOSA-N 0 0 322.405 2.719 50 0 DFAARN O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)C1CC1 ZINC000017156435 542424658 /nfs/dbraw/zinc/42/46/58/542424658.db2.gz ZFYQHIJVXNUGPP-UHFFFAOYSA-N 0 0 317.389 2.821 50 0 DFAARN CC(C)Oc1ccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000049230188 542441970 /nfs/dbraw/zinc/44/19/70/542441970.db2.gz JFDUHVSAPCRLMP-IUODEOHRSA-N 0 0 304.390 2.575 50 0 DFAARN Cc1cc([C@@H]2CCCN2Cn2cc(Br)cn2)on1 ZINC000049320055 542443830 /nfs/dbraw/zinc/44/38/30/542443830.db2.gz LGOHAEIZIXAFIJ-NSHDSACASA-N 0 0 311.183 2.737 50 0 DFAARN CCSCCC(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000049317412 542443962 /nfs/dbraw/zinc/44/39/62/542443962.db2.gz FVAGAJNOTKAMRI-UHFFFAOYSA-N 0 0 300.811 2.781 50 0 DFAARN CC(C)CO[C@@H](C)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000049307864 542444076 /nfs/dbraw/zinc/44/40/76/542444076.db2.gz VJLOAMQAMHNMLH-HNNXBMFYSA-N 0 0 315.417 2.609 50 0 DFAARN C[C@H]1COCCN1C(=O)Cc1csc(-c2ccsc2)n1 ZINC000046256293 542439176 /nfs/dbraw/zinc/43/91/76/542439176.db2.gz BOMJNRGJORUNJV-JTQLQIEISA-N 0 0 308.428 2.661 50 0 DFAARN C[C@@H](Cc1cnccn1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000067725625 542459390 /nfs/dbraw/zinc/45/93/90/542459390.db2.gz RHFZPLPACWZPFX-ZDUSSCGKSA-N 0 0 308.385 2.638 50 0 DFAARN O=c1[nH]c2cc3c(cc2cc1CN1CCC(F)(F)C1)CCC3 ZINC000067739759 542459475 /nfs/dbraw/zinc/45/94/75/542459475.db2.gz DSTYVQGOORAABS-UHFFFAOYSA-N 0 0 304.340 2.858 50 0 DFAARN O=C(NC[C@H]1CCCO1)N1CCC(COc2ccccc2)CC1 ZINC000055084381 542454406 /nfs/dbraw/zinc/45/44/06/542454406.db2.gz DYPULZGDGHCLBJ-QGZVFWFLSA-N 0 0 318.417 2.666 50 0 DFAARN Cc1ccc(CC(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)cc1 ZINC000075094382 542471962 /nfs/dbraw/zinc/47/19/62/542471962.db2.gz JXJOVXWSXPTXFJ-UHFFFAOYSA-N 0 0 321.380 2.790 50 0 DFAARN C[C@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)C1 ZINC000076878974 542476507 /nfs/dbraw/zinc/47/65/07/542476507.db2.gz JMJBDZUDOUJWKD-LZWOXQAQSA-N 0 0 316.401 2.808 50 0 DFAARN C[C@H]1CCC[C@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)C1 ZINC000076878970 542476710 /nfs/dbraw/zinc/47/67/10/542476710.db2.gz JMJBDZUDOUJWKD-DZKIICNBSA-N 0 0 316.401 2.808 50 0 DFAARN CC(=O)NCCCOC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000078442861 542481423 /nfs/dbraw/zinc/48/14/23/542481423.db2.gz ILSDLGUOSWKVNE-UHFFFAOYSA-N 0 0 314.341 2.557 50 0 DFAARN COc1ccc2cc(C(=O)N(C)C[C@@H]3CCCCO3)n(C)c2c1 ZINC000244691685 256604848 /nfs/dbraw/zinc/60/48/48/256604848.db2.gz JHGCPCRPUMCKMH-HNNXBMFYSA-N 0 0 316.401 2.828 50 0 DFAARN O=C(NC[C@@H]1CCCS1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000245339481 256606788 /nfs/dbraw/zinc/60/67/88/256606788.db2.gz TWPLVHVMIHZSEW-REWJHTLYSA-N 0 0 310.463 2.529 50 0 DFAARN C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000245632652 256607520 /nfs/dbraw/zinc/60/75/20/256607520.db2.gz QOXKXSVNMHEYSA-VMGRFDJRSA-N 0 0 318.392 2.604 50 0 DFAARN Cc1cc(C)n(C(=O)Cc2nnc(-c3sccc3C)o2)n1 ZINC000409444212 257217109 /nfs/dbraw/zinc/21/71/09/257217109.db2.gz FRVLSOZARPWTRB-UHFFFAOYSA-N 0 0 302.359 2.803 50 0 DFAARN O=C(CCCn1cccc1)Nc1n[nH]c(-c2cccs2)n1 ZINC000524735503 257213570 /nfs/dbraw/zinc/21/35/70/257213570.db2.gz GLICOIPQHTXSQY-UHFFFAOYSA-N 0 0 301.375 2.754 50 0 DFAARN COc1ccc(NC(=O)[C@@H](CCSC)n2cccc2)cn1 ZINC000524733099 257213835 /nfs/dbraw/zinc/21/38/35/257213835.db2.gz UFVRHLGPVRXOOX-CYBMUJFWSA-N 0 0 305.403 2.825 50 0 DFAARN CC1(C)CCc2cc(CC(=O)NCCn3cccc3)ccc2O1 ZINC000524732701 257214064 /nfs/dbraw/zinc/21/40/64/257214064.db2.gz LBKNQMJLMZNRHZ-UHFFFAOYSA-N 0 0 312.413 2.951 50 0 DFAARN Cc1ccc(C[C@H]2C[NH2+]C[C@]2(C(=O)[O-])C(F)(F)F)cc1F ZINC000521401793 257234263 /nfs/dbraw/zinc/23/42/63/257234263.db2.gz OVOGSBWJUJTUMX-GWCFXTLKSA-N 0 0 305.271 2.529 50 0 DFAARN CN(C)[C@H](C(=O)N(C)CCC1(O)CCCC1)c1ccc(F)cc1 ZINC000095376912 257271973 /nfs/dbraw/zinc/27/19/73/257271973.db2.gz OMPIZATVWJETJD-INIZCTEOSA-N 0 0 322.424 2.582 50 0 DFAARN Cc1cc(C)n2ncc(C[N@H+](C)CC[C@@H](O)c3ccccc3)c2n1 ZINC000216479424 257273178 /nfs/dbraw/zinc/27/31/78/257273178.db2.gz QIDNIKKSLSICHK-GOSISDBHSA-N 0 0 324.428 2.902 50 0 DFAARN COCC[C@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 ZINC000222752034 257274447 /nfs/dbraw/zinc/27/44/47/257274447.db2.gz SHYZLJMNSNLSEP-MRXNPFEDSA-N 0 0 304.434 2.570 50 0 DFAARN c1cc(-c2nnc(NCCCNc3ccccn3)s2)no1 ZINC000225492412 257274546 /nfs/dbraw/zinc/27/45/46/257274546.db2.gz ADUYSISUUWKJGT-UHFFFAOYSA-N 0 0 302.363 2.502 50 0 DFAARN O=C(NCc1ccno1)c1ccnc(OCc2ccccc2)c1 ZINC000351930231 257236173 /nfs/dbraw/zinc/23/61/73/257236173.db2.gz ZERMNXJGTKTIKH-UHFFFAOYSA-N 0 0 309.325 2.579 50 0 DFAARN CC[C@@H](C)[C@H](NC(=O)c1cn(C)cn1)c1nc2ccccc2[nH]1 ZINC000340091461 257236903 /nfs/dbraw/zinc/23/69/03/257236903.db2.gz GYGDJLZTQXAOJC-ABAIWWIYSA-N 0 0 311.389 2.814 50 0 DFAARN CO[C@@H](CN[C@H](C)c1nnnn1-c1ccccc1)c1ccccc1 ZINC000338565337 257237040 /nfs/dbraw/zinc/23/70/40/257237040.db2.gz XGKDBVPMKZKHIL-PBHICJAKSA-N 0 0 323.400 2.701 50 0 DFAARN CO[C@H](CN[C@H](C)c1nnnn1-c1ccccc1)c1ccccc1 ZINC000338565339 257237145 /nfs/dbraw/zinc/23/71/45/257237145.db2.gz XGKDBVPMKZKHIL-RHSMWYFYSA-N 0 0 323.400 2.701 50 0 DFAARN O=C([C@@H]1CCc2cccnc21)N1CCOC2(CCCCC2)C1 ZINC000343128563 257237174 /nfs/dbraw/zinc/23/71/74/257237174.db2.gz AJWRIKRGLHBJPP-OAHLLOKOSA-N 0 0 300.402 2.673 50 0 DFAARN CCOC(=O)[C@@H]1CCCN(C(=O)NC2CCC(F)(F)CC2)C1 ZINC000341923095 257237290 /nfs/dbraw/zinc/23/72/90/257237290.db2.gz IQKOIZUBGZIXTI-LLVKDONJSA-N 0 0 318.364 2.549 50 0 DFAARN Brc1ccc(Cn2nnc(-c3ccccc3)n2)nc1 ZINC000134528800 257239560 /nfs/dbraw/zinc/23/95/60/257239560.db2.gz FUAIDQMRDIUZDN-UHFFFAOYSA-N 0 0 316.162 2.546 50 0 DFAARN Cc1cccc(C(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)c1C ZINC000521394376 257241555 /nfs/dbraw/zinc/24/15/55/257241555.db2.gz PCOJKGOCLZYVTI-WBVHZDCISA-N 0 0 313.401 2.687 50 0 DFAARN CC(=O)Nc1cc2c(cc1C(=O)c1ccc(C)cc1)OCCO2 ZINC000001063303 257242893 /nfs/dbraw/zinc/24/28/93/257242893.db2.gz QBASWUAPXAEWSW-UHFFFAOYSA-N 0 0 311.337 2.956 50 0 DFAARN Cn1nc(C(=O)NCCCc2ccccn2)cc1-c1ccccc1 ZINC000426668439 257244357 /nfs/dbraw/zinc/24/43/57/257244357.db2.gz RXPMZCMFBSYDPU-UHFFFAOYSA-N 0 0 320.396 2.845 50 0 DFAARN CC(C)c1nnc([C@H](C)NC(=O)c2ccnc(C(C)C)n2)o1 ZINC000426628708 257244763 /nfs/dbraw/zinc/24/47/63/257244763.db2.gz DNLZMXMPHGLNLL-JTQLQIEISA-N 0 0 303.366 2.597 50 0 DFAARN Cc1cccc(N2CCC(NC(=O)C[C@H]3CCOC3)CC2)c1 ZINC000426620256 257244926 /nfs/dbraw/zinc/24/49/26/257244926.db2.gz PDOWTFIKORSMKE-OAHLLOKOSA-N 0 0 302.418 2.507 50 0 DFAARN CCc1ncc2c(n1)CN(C(=O)c1ccc3c(c1)CCCO3)C2 ZINC000426602316 257245223 /nfs/dbraw/zinc/24/52/23/257245223.db2.gz AWNAEEMILUYWPS-UHFFFAOYSA-N 0 0 309.369 2.520 50 0 DFAARN COc1cc(C(=O)NCc2cc(C3CC3)n[nH]2)c2ccccc2n1 ZINC000426574702 257245757 /nfs/dbraw/zinc/24/57/57/257245757.db2.gz JOIJSQZSAPLJHY-UHFFFAOYSA-N 0 0 322.368 2.774 50 0 DFAARN O=C(Cc1nc2ccccc2[nH]1)N1CCCC2(CCOCC2)C1 ZINC000426571456 257246200 /nfs/dbraw/zinc/24/62/00/257246200.db2.gz JDHVKHPVFSAUGH-UHFFFAOYSA-N 0 0 313.401 2.525 50 0 DFAARN Cn1c(Sc2ccncc2)nnc1[C@H]([NH3+])Cc1ccccc1 ZINC000426551749 257246814 /nfs/dbraw/zinc/24/68/14/257246814.db2.gz DQFQMFZOFLXWIU-CQSZACIVSA-N 0 0 311.414 2.604 50 0 DFAARN CCOc1ccc(Cl)cc1-c1ccc(N(C)CCO)nn1 ZINC000426545245 257247198 /nfs/dbraw/zinc/24/71/98/257247198.db2.gz YRHXILRDMQXSJO-UHFFFAOYSA-N 0 0 307.781 2.624 50 0 DFAARN Cc1ccc(CN(C)C(=O)NC[C@@H](C)Oc2cccnc2)o1 ZINC000426511998 257247383 /nfs/dbraw/zinc/24/73/83/257247383.db2.gz DMRDIDGVTKGZQH-CYBMUJFWSA-N 0 0 303.362 2.592 50 0 DFAARN CN(CCCSc1ccccc1)C(=O)NCc1cnn(C)c1 ZINC000426531597 257247404 /nfs/dbraw/zinc/24/74/04/257247404.db2.gz MIUKIHQGHHZFNS-UHFFFAOYSA-N 0 0 318.446 2.744 50 0 DFAARN Cc1cc(C)n(C2CN(C(=O)c3ccc4c(c3)C[C@H](C)O4)C2)n1 ZINC000426496867 257248627 /nfs/dbraw/zinc/24/86/27/257248627.db2.gz JGJKJCVFPIXQHL-ZDUSSCGKSA-N 0 0 311.385 2.520 50 0 DFAARN CN(C(=O)c1ccc(-c2cccc(N)n2)cc1)C1CCOCC1 ZINC000426474099 257249564 /nfs/dbraw/zinc/24/95/64/257249564.db2.gz FEYJBAIMUPGAGJ-UHFFFAOYSA-N 0 0 311.385 2.582 50 0 DFAARN COc1ccccc1CNC(=O)N1CCC2(CCCO2)CC1 ZINC000426434460 257250092 /nfs/dbraw/zinc/25/00/92/257250092.db2.gz MMLKYPLDMFPBPR-UHFFFAOYSA-N 0 0 304.390 2.550 50 0 DFAARN O=C(NCc1cc(=O)[nH]cn1)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426438556 257250107 /nfs/dbraw/zinc/25/01/07/257250107.db2.gz HWBYPOREDFMSBF-IBGZPJMESA-N 0 0 323.396 2.701 50 0 DFAARN Cc1nc([C@H](C)N(C)C(=O)c2c(C)[nH]c(C)cc2=O)c(C)s1 ZINC000426429116 257250457 /nfs/dbraw/zinc/25/04/57/257250457.db2.gz WANNIBCDNANDGM-JTQLQIEISA-N 0 0 319.430 2.898 50 0 DFAARN Cn1cc(CNC(=O)N2CC[C@@H](c3ccccc3Cl)C2)cn1 ZINC000426406016 257251354 /nfs/dbraw/zinc/25/13/54/257251354.db2.gz BMVNZGTYMRHLLC-CYBMUJFWSA-N 0 0 318.808 2.773 50 0 DFAARN Cc1ccc2[nH]c(C(=O)N3CCC(c4ncon4)CC3)cc2c1 ZINC000426407675 257251551 /nfs/dbraw/zinc/25/15/51/257251551.db2.gz 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/nfs/dbraw/zinc/83/96/59/425839659.db2.gz VHYRGLCBXXWQQJ-SNVBAGLBSA-N 0 0 305.407 2.638 50 0 DFAARN CCCNC(=O)[C@H](C)NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000032738227 425839688 /nfs/dbraw/zinc/83/96/88/425839688.db2.gz RDGPPCODTPTPOX-ZDUSSCGKSA-N 0 0 316.401 2.623 50 0 DFAARN C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000032777146 425839689 /nfs/dbraw/zinc/83/96/89/425839689.db2.gz XXGAAYZNNKQJRK-QMMMGPOBSA-N 0 0 310.712 2.991 50 0 DFAARN C[C@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000032824562 425839788 /nfs/dbraw/zinc/83/97/88/425839788.db2.gz RWCFTEFOCPAGCR-JSGCOSHPSA-N 0 0 314.389 2.759 50 0 DFAARN COc1cc(CNC(=O)N[C@@H](C)CCc2ccccc2)ccn1 ZINC000032794797 425839792 /nfs/dbraw/zinc/83/97/92/425839792.db2.gz QXUNQIOLHMSTDO-AWEZNQCLSA-N 0 0 313.401 2.911 50 0 DFAARN O=C(Nc1cccc(N2CCOC2=O)c1)c1cccnc1Cl ZINC000032816816 425839823 /nfs/dbraw/zinc/83/98/23/425839823.db2.gz HTYIQUWDTDKGCW-UHFFFAOYSA-N 0 0 317.732 2.944 50 0 DFAARN O=C(NCc1cn2cc(Cl)ccc2n1)NCc1ccccc1 ZINC000032796854 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ZINC000032873964 425840248 /nfs/dbraw/zinc/84/02/48/425840248.db2.gz NXYODDUXXPCFBW-GFCCVEGCSA-N 0 0 318.402 2.695 50 0 DFAARN CC(C)CCC[C@H](C)NC(=O)c1ccc(CNC(N)=O)cc1 ZINC000032846008 425840251 /nfs/dbraw/zinc/84/02/51/425840251.db2.gz KFIRDVVVPMLFSN-ZDUSSCGKSA-N 0 0 305.422 2.800 50 0 DFAARN CC(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)s1 ZINC000032855778 425840273 /nfs/dbraw/zinc/84/02/73/425840273.db2.gz CKWSYVZJFNMGLW-UHFFFAOYSA-N 0 0 313.382 2.800 50 0 DFAARN COC(=O)c1ccoc1COC(=O)c1cn(C)c2ccccc12 ZINC000032894883 425840360 /nfs/dbraw/zinc/84/03/60/425840360.db2.gz FCWHCQMDEDZWEB-UHFFFAOYSA-N 0 0 313.309 2.915 50 0 DFAARN Cc1nn(-c2ccccc2)c(C)c1Nc1cc(C)nc2ncnn21 ZINC000032907699 425840393 /nfs/dbraw/zinc/84/03/93/425840393.db2.gz AQXAPTUBTIKDFK-UHFFFAOYSA-N 0 0 319.372 2.979 50 0 DFAARN O=C(NCc1nncn1-c1ccccc1)c1ccc(Cl)s1 ZINC000032911471 425840432 /nfs/dbraw/zinc/84/04/32/425840432.db2.gz HTJPFBUDSPRXOP-UHFFFAOYSA-N 0 0 318.789 2.912 50 0 DFAARN CNC(=O)Nc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1 ZINC000032903258 425840444 /nfs/dbraw/zinc/84/04/44/425840444.db2.gz RXULGTDHRUAHIF-UHFFFAOYSA-N 0 0 312.373 2.756 50 0 DFAARN CCOc1ccc([C@@H](C)NC(=O)c2c(C)nn(C)c2C)cc1 ZINC000032904048 425840546 /nfs/dbraw/zinc/84/05/46/425840546.db2.gz LLRKQKPHVKPKGG-LLVKDONJSA-N 0 0 301.390 2.927 50 0 DFAARN CCCCN(CC(N)=O)C(=O)c1csc(-c2cccs2)n1 ZINC000032925580 425840556 /nfs/dbraw/zinc/84/05/56/425840556.db2.gz DPZJOGHHJLEATI-UHFFFAOYSA-N 0 0 323.443 2.599 50 0 DFAARN Cc1nc(C(C)C)sc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000032924071 425840703 /nfs/dbraw/zinc/84/07/03/425840703.db2.gz MDEUIRDKQHYDOP-UHFFFAOYSA-N 0 0 316.386 2.997 50 0 DFAARN Cc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000032974161 425840862 /nfs/dbraw/zinc/84/08/62/425840862.db2.gz KUJSCKZKBNNCCC-UHFFFAOYSA-N 0 0 314.429 2.860 50 0 DFAARN Cc1nc2ccccc2n(CC(=O)N[C@H](C)c2ccccc2)c1=O ZINC000032974592 425840918 /nfs/dbraw/zinc/84/09/18/425840918.db2.gz UHFVBAIONHAELG-CYBMUJFWSA-N 0 0 321.380 2.582 50 0 DFAARN C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2ccccc2)cc1 ZINC000033004279 425840922 /nfs/dbraw/zinc/84/09/22/425840922.db2.gz WIOSHACMOPSBCK-SUMWQHHRSA-N 0 0 308.381 2.809 50 0 DFAARN COc1ccc(NC(=O)NC(=O)COc2ccccc2F)cc1 ZINC000032942931 425840925 /nfs/dbraw/zinc/84/09/25/425840925.db2.gz DPMCRUQWXNCRJG-UHFFFAOYSA-N 0 0 318.304 2.561 50 0 DFAARN Cc1ccc(C)c(OC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1C ZINC000032963800 425840941 /nfs/dbraw/zinc/84/09/41/425840941.db2.gz SOEXTZURWLXAGY-CXAGYDPISA-N 0 0 319.426 2.971 50 0 DFAARN CC[C@@H](C)NC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000032959498 425840998 /nfs/dbraw/zinc/84/09/98/425840998.db2.gz ZWPGZZOQWUGKIZ-SECBINFHSA-N 0 0 305.403 2.712 50 0 DFAARN CC[C@H](C)NC(=O)CSc1nc2ncccc2n2cccc12 ZINC000033012054 425841146 /nfs/dbraw/zinc/84/11/46/425841146.db2.gz VEHYIWAQZZNGAV-NSHDSACASA-N 0 0 314.414 2.889 50 0 DFAARN C[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000033014537 425841165 /nfs/dbraw/zinc/84/11/65/425841165.db2.gz ZDDAPVAXPISLEQ-AWEZNQCLSA-N 0 0 323.462 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/nfs/dbraw/zinc/28/55/29/426285529.db2.gz GEWNPQJODOYIRB-LBPRGKRZSA-N 0 0 305.422 2.657 50 0 DFAARN CN(C)c1cc(C(=O)N2CCOc3c(Cl)cccc32)ccn1 ZINC000089322971 426286702 /nfs/dbraw/zinc/28/67/02/426286702.db2.gz YHOHGRISSQMUQP-UHFFFAOYSA-N 0 0 317.776 2.840 50 0 DFAARN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1CCCOC1 ZINC000089361175 426286928 /nfs/dbraw/zinc/28/69/28/426286928.db2.gz MGBINOMQAWVKQW-GFCCVEGCSA-N 0 0 317.307 2.970 50 0 DFAARN CN(C(=O)C[C@H](O)c1cccc(F)c1)c1ccc2c(c1)CCO2 ZINC000089322461 426287409 /nfs/dbraw/zinc/28/74/09/426287409.db2.gz JPDRZRGVLRINGT-INIZCTEOSA-N 0 0 315.344 2.847 50 0 DFAARN CO[C@@]1(CNC(=O)Nc2ccccc2Cl)CCSC1 ZINC000096097772 426396915 /nfs/dbraw/zinc/39/69/15/426396915.db2.gz JVLGARAOELKGRH-CYBMUJFWSA-N 0 0 300.811 2.984 50 0 DFAARN CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)nc(N(C)C)n1 ZINC000096101156 426397685 /nfs/dbraw/zinc/39/76/85/426397685.db2.gz YVPQGYDUERJNFV-STQMWFEESA-N 0 0 304.438 2.784 50 0 DFAARN CC(C)c1cc(C(=O)NCc2ccccc2F)nc(N(C)C)n1 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Cc1noc(C)c1CC(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC000170090571 197769554 /nfs/dbraw/zinc/76/95/54/197769554.db2.gz RMBRJLMTMBEVDE-OAHLLOKOSA-N 0 0 300.358 2.656 50 0 DFAARN C[C@]1(C2CC2)NC(=O)N(CCSCc2ccccc2)C1=O ZINC000225554873 201730731 /nfs/dbraw/zinc/73/07/31/201730731.db2.gz NQARMXRYAVIDFG-MRXNPFEDSA-N 0 0 304.415 2.640 50 0 DFAARN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccccc1N ZINC000047844174 190675102 /nfs/dbraw/zinc/67/51/02/190675102.db2.gz KKCXUHZJMXLTBP-GFCCVEGCSA-N 0 0 320.389 2.825 50 0 DFAARN Cc1nnc(SC2c3ccccc3-c3ccccc32)n(N)c1=O ZINC000001017487 282335409 /nfs/dbraw/zinc/33/54/09/282335409.db2.gz VMVQTIFRWWIIGO-UHFFFAOYSA-N 0 0 322.393 2.523 50 0 DFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000225831013 201752632 /nfs/dbraw/zinc/75/26/32/201752632.db2.gz DVWSGNLLTJZLPW-CQSZACIVSA-N 0 0 305.403 2.552 50 0 DFAARN COC(=O)C1(OC(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000225855690 201756300 /nfs/dbraw/zinc/75/63/00/201756300.db2.gz YZDJIDYZJCNTSR-UHFFFAOYSA-N 0 0 302.282 2.934 50 0 DFAARN Cc1cc(C(=O)Nc2nnc(-c3csc(C)n3)o2)c(C)o1 ZINC000056904361 190686189 /nfs/dbraw/zinc/68/61/89/190686189.db2.gz DHPMNYBBKNLOAG-UHFFFAOYSA-N 0 0 304.331 2.964 50 0 DFAARN Cc1noc(C2CC2)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000170597125 197783515 /nfs/dbraw/zinc/78/35/15/197783515.db2.gz MQBBBJMIRSHEKH-OPQQBVKSSA-N 0 0 319.405 2.740 50 0 DFAARN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1c2ccnn2[C@@H](C)C[C@@H]1C ZINC000107494122 185482107 /nfs/dbraw/zinc/48/21/07/185482107.db2.gz ZWTYJKVQIHRVLI-AJNGGQMLSA-N 0 0 321.421 2.544 50 0 DFAARN CCc1nc([C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)no1 ZINC000067888481 398464592 /nfs/dbraw/zinc/46/45/92/398464592.db2.gz KETSPLZGNDGPEP-ABZNLYFFSA-N 0 0 301.346 2.644 50 0 DFAARN Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1NS(C)(=O)=O ZINC000058158559 190690993 /nfs/dbraw/zinc/69/09/93/190690993.db2.gz RAISVLDBXUMIBI-LBPRGKRZSA-N 0 0 308.403 2.661 50 0 DFAARN CCc1ccccc1NC(=O)NCCc1c(C)nn(C)c1C ZINC000064959454 190706503 /nfs/dbraw/zinc/70/65/03/190706503.db2.gz 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/nfs/dbraw/zinc/81/03/13/190810313.db2.gz DZLXOBMDEHCJBM-UHFFFAOYSA-N 0 0 323.462 2.504 50 0 DFAARN COc1ccc(-c2nc(CCNC(=O)C=C(C)C)co2)cc1 ZINC000069780130 190817901 /nfs/dbraw/zinc/81/79/01/190817901.db2.gz UXNIQTHHGOCETL-UHFFFAOYSA-N 0 0 300.358 2.975 50 0 DFAARN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000069811505 190822109 /nfs/dbraw/zinc/82/21/09/190822109.db2.gz KDGWFFSYEOGSPR-ZLIFDBKOSA-N 0 0 321.392 2.977 50 0 DFAARN CC(C)N=c1ccccn1C(=O)CCc1nc(C(C)(C)C)no1 ZINC000033164335 398542929 /nfs/dbraw/zinc/54/29/29/398542929.db2.gz HDUDYBLPSDPXFC-UHFFFAOYSA-N 0 0 316.405 2.751 50 0 DFAARN Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1 ZINC000069924163 190839213 /nfs/dbraw/zinc/83/92/13/190839213.db2.gz YLFAPWUECSDYEA-QGZVFWFLSA-N 0 0 311.385 2.699 50 0 DFAARN COc1ccsc1C(=O)N1CCCC[C@H]1Cn1cccn1 ZINC000069969993 190844652 /nfs/dbraw/zinc/84/46/52/190844652.db2.gz MKSTVNAWOOSHSN-LBPRGKRZSA-N 0 0 305.403 2.648 50 0 DFAARN CC1(C)NC(=O)N(CCSc2ccnc3ccccc32)C1=O ZINC000070040233 190853568 /nfs/dbraw/zinc/85/35/68/190853568.db2.gz YQMMJLDWWXULBW-UHFFFAOYSA-N 0 0 315.398 2.657 50 0 DFAARN Cc1cnn(C[C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)c1 ZINC000070036422 190851675 /nfs/dbraw/zinc/85/16/75/190851675.db2.gz MGLYHYOLASCVGS-OAHLLOKOSA-N 0 0 308.385 2.978 50 0 DFAARN O=C1c2cnccc2[C@@](O)(c2ccccc2)N1Cc1ccccc1 ZINC000039930391 398560597 /nfs/dbraw/zinc/56/05/97/398560597.db2.gz VSTGGTUGMLLPRA-FQEVSTJZSA-N 0 0 316.360 2.931 50 0 DFAARN C[C@H]1CC(CCN2CCO[C@@H](c3nncn3C)C2)C[C@H](C)C1 ZINC000328625631 398566054 /nfs/dbraw/zinc/56/60/54/398566054.db2.gz DJQKSURFAIPQKG-IIAWOOMASA-N 0 0 306.454 2.651 50 0 DFAARN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ncoc1C ZINC000328621482 398566077 /nfs/dbraw/zinc/56/60/77/398566077.db2.gz HSFDLWYNVJMEDT-NSHDSACASA-N 0 0 305.403 2.940 50 0 DFAARN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cccc2cc[nH]c21 ZINC000328637941 398568867 /nfs/dbraw/zinc/56/88/67/398568867.db2.gz WDBVULNOICDYIX-CYBMUJFWSA-N 0 0 308.385 2.699 50 0 DFAARN CN1C(=O)CC[C@@H](C(=O)NCC2CCCC2)[C@@H]1c1ccccc1 ZINC000057355417 282608466 /nfs/dbraw/zinc/60/84/66/282608466.db2.gz VUGKNWCYZFCVLV-AEFFLSMTSA-N 0 0 314.429 2.903 50 0 DFAARN C[C@@H](c1ccccn1)N(C)c1cc(N[C@H]2CCCOC2)ncn1 ZINC000328656395 398568667 /nfs/dbraw/zinc/56/86/67/398568667.db2.gz ZHNPKWJGBRPMFC-KBPBESRZSA-N 0 0 313.405 2.660 50 0 DFAARN CN1C(=O)CC[C@H](C(=O)NCC2CCCC2)[C@H]1c1ccccc1 ZINC000057355419 282616735 /nfs/dbraw/zinc/61/67/35/282616735.db2.gz VUGKNWCYZFCVLV-FUHWJXTLSA-N 0 0 314.429 2.903 50 0 DFAARN CN1CC[C@H](Nc2cc(Br)ccc2Cl)C1=O ZINC000070583409 190908211 /nfs/dbraw/zinc/90/82/11/190908211.db2.gz LDPTZEUDXCDRPC-VIFPVBQESA-N 0 0 303.587 2.745 50 0 DFAARN O=C(Nc1c(F)cccc1F)N1CC(c2nc(C3CC3)no2)C1 ZINC000070637034 190908787 /nfs/dbraw/zinc/90/87/87/190908787.db2.gz RFNBBSMTCCCHGV-UHFFFAOYSA-N 0 0 320.299 2.857 50 0 DFAARN O=C(Cc1ccc(F)cc1)NC[C@](O)(c1ccccc1)C1CC1 ZINC000070966123 190927460 /nfs/dbraw/zinc/92/74/60/190927460.db2.gz FAVDRAXSGWFZLQ-IBGZPJMESA-N 0 0 313.372 2.782 50 0 DFAARN COCC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC000071185060 190938304 /nfs/dbraw/zinc/93/83/04/190938304.db2.gz MEPFIWVYZRPJPS-UHFFFAOYSA-N 0 0 305.296 2.755 50 0 DFAARN Cc1cnn([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)c1 ZINC000071185980 190938936 /nfs/dbraw/zinc/93/89/36/190938936.db2.gz RNFSUGXHLPZXLT-ZDUSSCGKSA-N 0 0 304.419 2.742 50 0 DFAARN C[C@@H](NC(N)=O)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000071186032 190939033 /nfs/dbraw/zinc/93/90/33/190939033.db2.gz KHBWWOJTCCSAJE-LLVKDONJSA-N 0 0 323.824 2.672 50 0 DFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1O ZINC000071283555 190952340 /nfs/dbraw/zinc/95/23/40/190952340.db2.gz VJUPGBBZAAQBLF-JTQLQIEISA-N 0 0 317.345 2.595 50 0 DFAARN Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ncoc2C)s1 ZINC000092522164 398582124 /nfs/dbraw/zinc/58/21/24/398582124.db2.gz LPJZFMCUXUKCNN-VIFPVBQESA-N 0 0 308.407 2.959 50 0 DFAARN CCc1cnc(CN(C)C(=O)NCc2nc(C)cs2)s1 ZINC000083827879 192385334 /nfs/dbraw/zinc/38/53/34/192385334.db2.gz GRXKRVAUUAJVOV-UHFFFAOYSA-N 0 0 310.448 2.812 50 0 DFAARN CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC(N)=O ZINC000069870381 398587126 /nfs/dbraw/zinc/58/71/26/398587126.db2.gz BKJNODLHWQDPDM-GFCCVEGCSA-N 0 0 308.378 2.527 50 0 DFAARN Cc1cc(NC(=O)NCCc2nc3c(s2)CCCC3)on1 ZINC000069896618 398588158 /nfs/dbraw/zinc/58/81/58/398588158.db2.gz QJHJTZAOMPFLFE-UHFFFAOYSA-N 0 0 306.391 2.683 50 0 DFAARN C[C@@H](NCc1nnc(Cc2ccccc2)o1)[C@H](C)n1cccn1 ZINC000069948398 398589937 /nfs/dbraw/zinc/58/99/37/398589937.db2.gz APBSLVCLHGJYOF-KGLIPLIRSA-N 0 0 311.389 2.596 50 0 DFAARN C[C@H]([C@H](C)NCc1nnc(Cc2ccccc2)o1)n1cccn1 ZINC000069948389 398590234 /nfs/dbraw/zinc/59/02/34/398590234.db2.gz APBSLVCLHGJYOF-UONOGXRCSA-N 0 0 311.389 2.596 50 0 DFAARN Cc1cc(C)n(C[C@@H]2CCCCN2Cc2nc3cccnc3[nH]2)n1 ZINC000070039946 398591985 /nfs/dbraw/zinc/59/19/85/398591985.db2.gz SINJRGOGJASXLC-HNNXBMFYSA-N 0 0 324.432 2.826 50 0 DFAARN Cc1ccc(CCCCC(=O)OC[C@H]2CCCN2C(N)=O)cc1 ZINC000070040384 398592304 /nfs/dbraw/zinc/59/23/04/398592304.db2.gz CMDLNPYOZVAPFA-MRXNPFEDSA-N 0 0 318.417 2.794 50 0 DFAARN CCc1ncc2c(n1)CN(Cc1cn3cccc(C)c3n1)CC2 ZINC000070038763 398592372 /nfs/dbraw/zinc/59/23/72/398592372.db2.gz AYVKIDILFQJPMJ-UHFFFAOYSA-N 0 0 307.401 2.553 50 0 DFAARN CCc1c(C)cc(C(=O)N(C)Cc2ccsc2)c(=O)n1C ZINC000071708058 191011087 /nfs/dbraw/zinc/01/10/87/191011087.db2.gz FTMYEKLMDCAFEB-UHFFFAOYSA-N 0 0 304.415 2.590 50 0 DFAARN CCN(C)c1cc(N2CCO[C@H](c3ccc(F)cc3)C2)ncn1 ZINC000071681878 191006360 /nfs/dbraw/zinc/00/63/60/191006360.db2.gz MAQLYBMGHFCMQH-HNNXBMFYSA-N 0 0 316.380 2.650 50 0 DFAARN CC[C@H]1CN(c2nccc(C)n2)CCC(=O)N1Cc1ccccc1 ZINC000071735922 191018413 /nfs/dbraw/zinc/01/84/13/191018413.db2.gz QEIQBQYSDXDAMV-KRWDZBQOSA-N 0 0 324.428 2.803 50 0 DFAARN CNc1ncccc1C(=O)N1CCO[C@H](CC2CCCCC2)C1 ZINC000071761007 191026059 /nfs/dbraw/zinc/02/60/59/191026059.db2.gz MFLXKSKEADKKRT-OAHLLOKOSA-N 0 0 317.433 2.935 50 0 DFAARN CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cccs2)nn1C ZINC000071747358 191021240 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303.362 2.880 50 0 DFAARN CCCc1noc(-c2nc(-c3ccc(OC)c(OC)c3)no2)n1 ZINC000098212376 193792243 /nfs/dbraw/zinc/79/22/43/193792243.db2.gz GQGJXDQBCKUCMY-UHFFFAOYSA-N 0 0 316.317 2.756 50 0 DFAARN CC[C@@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CCO1 ZINC000029153962 182554122 /nfs/dbraw/zinc/55/41/22/182554122.db2.gz BGOPQMVZNUKNGA-KBOKABMXSA-N 0 0 311.385 2.523 50 0 DFAARN Cc1cn2nc(NC[C@@H](O)c3ccc(F)c(F)c3)sc2n1 ZINC000029588621 182571273 /nfs/dbraw/zinc/57/12/73/182571273.db2.gz CPCDDDIYPKDQPM-LLVKDONJSA-N 0 0 310.329 2.523 50 0 DFAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccs1 ZINC000029601818 182571900 /nfs/dbraw/zinc/57/19/00/182571900.db2.gz YHFUPYGJDSWXRV-NHYWBVRUSA-N 0 0 306.431 2.572 50 0 DFAARN COC(=O)c1c(N)c(Br)ccc1Br ZINC000042581167 284513789 /nfs/dbraw/zinc/51/37/89/284513789.db2.gz GHEZQQJVBNVTEY-UHFFFAOYSA-N 0 0 308.957 2.580 50 0 DFAARN COC(=O)C=C(Nc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000100251616 193798058 /nfs/dbraw/zinc/79/80/58/193798058.db2.gz OZMFGQQNNWNJMS-UXBLZVDNSA-N 0 0 304.129 2.635 50 0 DFAARN COc1cccc(CNC(=O)NCCCOc2ccccc2)c1 ZINC000031037704 182605176 /nfs/dbraw/zinc/60/51/76/182605176.db2.gz WXGLSLVYPQDVES-UHFFFAOYSA-N 0 0 314.385 2.964 50 0 DFAARN Cc1cc(C)n([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)n1 ZINC000100372904 193799029 /nfs/dbraw/zinc/79/90/29/193799029.db2.gz UHXFPXLQLHYWGL-CYBMUJFWSA-N 0 0 303.749 2.658 50 0 DFAARN Cc1ccc2nc(C)c(C(=O)N[C@H](C)Cn3cccn3)cc2c1 ZINC000031397459 182612769 /nfs/dbraw/zinc/61/27/69/182612769.db2.gz QNEQIEUNROBXOV-CYBMUJFWSA-N 0 0 308.385 2.867 50 0 DFAARN O=c1c2ccccc2nnn1Cc1cc(F)cc2cccnc21 ZINC000031608423 182617482 /nfs/dbraw/zinc/61/74/82/182617482.db2.gz HEQFBDJCFRNDBT-UHFFFAOYSA-N 0 0 306.300 2.527 50 0 DFAARN O=C(NCCCOc1ccccc1F)[C@@H]1Cc2ccccc2O1 ZINC000032263482 182639323 /nfs/dbraw/zinc/63/93/23/182639323.db2.gz YVASKRKCILONOS-KRWDZBQOSA-N 0 0 315.344 2.715 50 0 DFAARN Cc1cccc(NC(=O)CN(C)Cc2nnsc2Cl)c1C ZINC000032759310 182660285 /nfs/dbraw/zinc/66/02/85/182660285.db2.gz QIUWQMGMSBTSHE-UHFFFAOYSA-N 0 0 324.837 2.879 50 0 DFAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2C)c1 ZINC000032602365 182649818 /nfs/dbraw/zinc/64/98/18/182649818.db2.gz DJTQTVDZBWTCJS-UHFFFAOYSA-N 0 0 318.398 2.512 50 0 DFAARN COCCNC(=O)c1cc(-n2cccc2)ccc1Br ZINC000032646441 182652610 /nfs/dbraw/zinc/65/26/10/182652610.db2.gz HFTBCEYXIJOWMU-UHFFFAOYSA-N 0 0 323.190 2.616 50 0 DFAARN CC(=O)NCc1ccc(C(=O)OCc2nc3ccccc3o2)cc1 ZINC000032736670 182657395 /nfs/dbraw/zinc/65/73/95/182657395.db2.gz UTWPBHRKAPWMPN-UHFFFAOYSA-N 0 0 324.336 2.821 50 0 DFAARN CN(Cc1ccsc1)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000032836861 182670721 /nfs/dbraw/zinc/67/07/21/182670721.db2.gz DDLMQIRRXCKGSH-UHFFFAOYSA-N 0 0 300.383 2.905 50 0 DFAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c[nH]nc2c1 ZINC000032900995 182675467 /nfs/dbraw/zinc/67/54/67/182675467.db2.gz WRKPJUMOOPTDJH-UHFFFAOYSA-N 0 0 309.325 2.564 50 0 DFAARN CNC(=O)c1ccccc1NC(=O)[C@@H](C)OCc1ccccc1 ZINC000032955676 182684900 /nfs/dbraw/zinc/68/49/00/182684900.db2.gz FDPWKLIVXOKJOP-CYBMUJFWSA-N 0 0 312.369 2.590 50 0 DFAARN CCOC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)CC ZINC000100910555 193806005 /nfs/dbraw/zinc/80/60/05/193806005.db2.gz KEKVLLPRWCCSGO-MSUUIHNZSA-N 0 0 320.414 2.720 50 0 DFAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2nnc(C)s2)cc1 ZINC000033010975 182688063 /nfs/dbraw/zinc/68/80/63/182688063.db2.gz IBUPMIWMQJOMGA-SECBINFHSA-N 0 0 318.402 2.627 50 0 DFAARN CN(C)C(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033012579 182688749 /nfs/dbraw/zinc/68/87/49/182688749.db2.gz QUQPTXQDPPQMLD-UHFFFAOYSA-N 0 0 323.352 2.871 50 0 DFAARN CCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000100868348 193805823 /nfs/dbraw/zinc/80/58/23/193805823.db2.gz VDZWYPVSRJYARL-KBPBESRZSA-N 0 0 301.342 2.682 50 0 DFAARN Cc1c(C)n(-c2cccnc2)c2ncn(Cc3ccco3)c(=N)c12 ZINC000101029364 193807199 /nfs/dbraw/zinc/80/71/99/193807199.db2.gz WSQHGZSNOHCHLW-UHFFFAOYSA-N 0 0 319.368 2.960 50 0 DFAARN CCOC(=O)[C@H](C)NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000035511524 182778337 /nfs/dbraw/zinc/77/83/37/182778337.db2.gz WXLQBHBDMVGDRM-AAEUAGOBSA-N 0 0 323.393 2.596 50 0 DFAARN CC(C)NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000035655424 182784195 /nfs/dbraw/zinc/78/41/95/182784195.db2.gz HENJLQXWIDQBLH-UHFFFAOYSA-N 0 0 308.809 2.717 50 0 DFAARN COc1cccc(CN(C)C(=O)/C=C\c2ccco2)c1OC ZINC000035681513 182786002 /nfs/dbraw/zinc/78/60/02/182786002.db2.gz GRCHPASNHHQCKB-KTKRTIGZSA-N 0 0 301.342 2.969 50 0 DFAARN O=C(NC[C@@H](O)c1ccccc1)c1cccc(-n2cccc2)c1 ZINC000036360472 182819301 /nfs/dbraw/zinc/81/93/01/182819301.db2.gz UUHGZTJKUSIPJJ-GOSISDBHSA-N 0 0 306.365 2.941 50 0 DFAARN CCCn1c(=O)[nH]nc1SCc1nc2ccccc2nc1C ZINC000036807224 182844632 /nfs/dbraw/zinc/84/46/32/182844632.db2.gz IONMZDMFCOKFNB-UHFFFAOYSA-N 0 0 315.402 2.525 50 0 DFAARN Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c2cnn(C)c2n1 ZINC000036616273 182828984 /nfs/dbraw/zinc/82/89/84/182828984.db2.gz JISSMXTVKWYONM-UHFFFAOYSA-N 0 0 302.284 2.807 50 0 DFAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000036627890 182831356 /nfs/dbraw/zinc/83/13/56/182831356.db2.gz RDANHSZFKONERP-MGPLVRAMSA-N 0 0 313.309 2.582 50 0 DFAARN O=C(COc1ccc2c(c1)C(=O)CC2)Nc1ccc(Cl)cn1 ZINC000036708220 182836693 /nfs/dbraw/zinc/83/66/93/182836693.db2.gz MARJTGMRDGRDLA-UHFFFAOYSA-N 0 0 316.744 2.881 50 0 DFAARN Cc1nc(CC(C)C)c(C(=O)N(C)Cc2nccn2C)s1 ZINC000268007018 206392298 /nfs/dbraw/zinc/39/22/98/206392298.db2.gz XYTGEMAAXSZIJK-UHFFFAOYSA-N 0 0 306.435 2.656 50 0 DFAARN CCN1C[C@H](C(=O)Nc2cc(-c3ccncc3)ccc2C)CC1=O ZINC000101847371 193844258 /nfs/dbraw/zinc/84/42/58/193844258.db2.gz PWDLYBHNULPQCG-MRXNPFEDSA-N 0 0 323.396 2.864 50 0 DFAARN COC(=O)c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)oc1C ZINC000039004496 183013261 /nfs/dbraw/zinc/01/32/61/183013261.db2.gz ICUOTTCUSYKCDP-JTQLQIEISA-N 0 0 310.350 2.842 50 0 DFAARN COc1cc2cccnc2c(NC(=O)c2snnc2C)c1 ZINC000038490499 183000577 /nfs/dbraw/zinc/00/05/77/183000577.db2.gz GULPWPVZYNMDGP-UHFFFAOYSA-N 0 0 300.343 2.656 50 0 DFAARN COC(=O)c1cnn(-c2ccc(Br)cn2)c1C1CC1 ZINC000038537323 183001554 /nfs/dbraw/zinc/00/15/54/183001554.db2.gz FJOSEQIDAWCAQV-UHFFFAOYSA-N 0 0 322.162 2.694 50 0 DFAARN O=C(CSc1ncccn1)OCc1cc(-c2ccco2)on1 ZINC000038785885 183010474 /nfs/dbraw/zinc/01/04/74/183010474.db2.gz JJLOXBAFFIUUQB-UHFFFAOYSA-N 0 0 317.326 2.560 50 0 DFAARN COc1ccccc1N1C[C@H](c2nc(C(C)C)no2)CC1=O ZINC000038914052 183012785 /nfs/dbraw/zinc/01/27/85/183012785.db2.gz YDSOFGJOEGZPFM-LLVKDONJSA-N 0 0 301.346 2.722 50 0 DFAARN O=C(c1cc2ccccc2oc1=O)N1CCOc2ccccc21 ZINC000024586226 284630607 /nfs/dbraw/zinc/63/06/07/284630607.db2.gz PSZXNKOHEOOCCK-UHFFFAOYSA-N 0 0 307.305 2.832 50 0 DFAARN Cc1nc2ccccc2n1CC(=O)Nc1nc2ccccc2[nH]1 ZINC000040047553 183029752 /nfs/dbraw/zinc/02/97/52/183029752.db2.gz SPIAGZVIXVFDHQ-UHFFFAOYSA-N 0 0 305.341 2.860 50 0 DFAARN COC(=O)c1ccc(C)cc1OCC(=O)N1CCCCCC1 ZINC000040051874 183029837 /nfs/dbraw/zinc/02/98/37/183029837.db2.gz RMXMRYDMXUYVPN-UHFFFAOYSA-N 0 0 305.374 2.563 50 0 DFAARN CC(C)CCC[C@H]1CN(S(=O)(=O)c2ccsc2)CCO1 ZINC000039537932 183020506 /nfs/dbraw/zinc/02/05/06/183020506.db2.gz OPYLVBXLRLUZOW-ZDUSSCGKSA-N 0 0 317.476 2.964 50 0 DFAARN CC1(C)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O ZINC000039583866 183020980 /nfs/dbraw/zinc/02/09/80/183020980.db2.gz NWOBTMCLDSAYRR-UHFFFAOYSA-N 0 0 317.172 2.703 50 0 DFAARN CCCn1c2ccccc2n(CC(=O)N2CCCC[C@H]2C)c1=O ZINC000039987645 183026375 /nfs/dbraw/zinc/02/63/75/183026375.db2.gz CPOZKYDONHTEIQ-CQSZACIVSA-N 0 0 315.417 2.614 50 0 DFAARN Clc1ccccc1[C@H]1CCCN1Cc1nnnn1C1CC1 ZINC000040153668 183040751 /nfs/dbraw/zinc/04/07/51/183040751.db2.gz VUSHPHCXWKUNAU-CQSZACIVSA-N 0 0 303.797 2.999 50 0 DFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC000040160906 183041016 /nfs/dbraw/zinc/04/10/16/183041016.db2.gz HWLPWSOKMYOQGJ-HUUCEWRRSA-N 0 0 319.401 2.564 50 0 DFAARN C[C@@H]1CO[C@@H](C)CN1Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000040071839 183031363 /nfs/dbraw/zinc/03/13/63/183031363.db2.gz LAVOBVYBNQNLQB-MNOVXSKESA-N 0 0 307.781 2.999 50 0 DFAARN Cc1ccc(-c2noc(CN3C[C@@H](C)OC[C@@H]3C)n2)cc1F ZINC000040071837 183031575 /nfs/dbraw/zinc/03/15/75/183031575.db2.gz RMOVUSIIYRRAED-NWDGAFQWSA-N 0 0 305.353 2.793 50 0 DFAARN CC1CCC(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000040089904 183032505 /nfs/dbraw/zinc/03/25/05/183032505.db2.gz IJHPDMRNWBMLGA-HWOWSKLDSA-N 0 0 321.465 2.609 50 0 DFAARN CCOC(=O)N[C@@H](CNC(=O)Cc1ccc(F)cc1)CC(C)C ZINC000040089057 183032595 /nfs/dbraw/zinc/03/25/95/183032595.db2.gz QKJSJWYJWOBHAK-OAHLLOKOSA-N 0 0 324.396 2.645 50 0 DFAARN Cc1cnc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)s1 ZINC000040088072 183032747 /nfs/dbraw/zinc/03/27/47/183032747.db2.gz HNPVYZSWHVVERK-GFCCVEGCSA-N 0 0 305.334 2.722 50 0 DFAARN O=C(NC[C@H]1CCCO1)c1csc(Cc2ccccc2)n1 ZINC000040088756 183033030 /nfs/dbraw/zinc/03/30/30/183033030.db2.gz DJYOTBNFRASDHG-CYBMUJFWSA-N 0 0 302.399 2.643 50 0 DFAARN CCCn1nnnc1CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000040088665 183033040 /nfs/dbraw/zinc/03/30/40/183033040.db2.gz BRCDJXRTSQKGDR-SWLSCSKDSA-N 0 0 315.421 2.964 50 0 DFAARN C[C@H](Cn1cccn1)NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000040091822 183033379 /nfs/dbraw/zinc/03/33/79/183033379.db2.gz IGROSDPWMKJCEM-VXGBXAGGSA-N 0 0 303.431 2.888 50 0 DFAARN C[C@@H](CNC(=O)Nc1nccs1)N1CCc2ccccc21 ZINC000040096100 183034367 /nfs/dbraw/zinc/03/43/67/183034367.db2.gz RAIDPKAGCIRFOQ-NSHDSACASA-N 0 0 302.403 2.716 50 0 DFAARN COc1ccccc1CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000040108226 183035996 /nfs/dbraw/zinc/03/59/96/183035996.db2.gz GYOSCSSDOJXNPH-HOCLYGCPSA-N 0 0 305.418 2.949 50 0 DFAARN Cc1ccc2c(CC(=O)N[C@H](C)c3nncn3C)coc2c1C ZINC000040116098 183036971 /nfs/dbraw/zinc/03/69/71/183036971.db2.gz OSIWPSONARZZJE-GFCCVEGCSA-N 0 0 312.373 2.598 50 0 DFAARN COC(=O)c1cccc(C(=O)NCCSC2CCCC2)c1 ZINC000040133646 183038659 /nfs/dbraw/zinc/03/86/59/183038659.db2.gz HTVGJNOVVIXULP-UHFFFAOYSA-N 0 0 307.415 2.879 50 0 DFAARN Nc1nc(=O)n(Cc2ccccc2)c2sc3c(c21)CCCC3 ZINC000040285685 183051576 /nfs/dbraw/zinc/05/15/76/183051576.db2.gz WJMAOHPUDBORDR-UHFFFAOYSA-N 0 0 311.410 2.967 50 0 DFAARN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1 ZINC000040287607 183051923 /nfs/dbraw/zinc/05/19/23/183051923.db2.gz MEQGBXDXYSVULJ-UHFFFAOYSA-N 0 0 308.312 2.932 50 0 DFAARN CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000040434957 183067203 /nfs/dbraw/zinc/06/72/03/183067203.db2.gz FRSBMSDJJXPARV-UHFFFAOYSA-N 0 0 311.813 2.788 50 0 DFAARN Cc1nc(NCC(C)C)sc1C(=O)NCc1ccncc1 ZINC000040267246 183049822 /nfs/dbraw/zinc/04/98/22/183049822.db2.gz RCVTVNFWZKCPGS-UHFFFAOYSA-N 0 0 304.419 2.844 50 0 DFAARN CC(C)Nc1nc(C(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000040267993 183050089 /nfs/dbraw/zinc/05/00/89/183050089.db2.gz YPRZODCYIKGRMV-UHFFFAOYSA-N 0 0 305.359 2.944 50 0 DFAARN O=C(Nc1ccc2[nH]cnc2c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000040268340 183050122 /nfs/dbraw/zinc/05/01/22/183050122.db2.gz DNWLKNNRBZEXPU-LBPRGKRZSA-N 0 0 320.352 2.555 50 0 DFAARN O=C(Nc1cccc(Cl)c1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000040460214 183070137 /nfs/dbraw/zinc/07/01/37/183070137.db2.gz JXMGLACAYDSBMT-OAHLLOKOSA-N 0 0 323.824 2.669 50 0 DFAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccco1 ZINC000040466439 183072457 /nfs/dbraw/zinc/07/24/57/183072457.db2.gz NNHCURCMSLKJNC-KRWDZBQOSA-N 0 0 310.353 2.860 50 0 DFAARN CCc1nnsc1C(=O)N(C)CCOc1ccccc1C ZINC000040468215 183073516 /nfs/dbraw/zinc/07/35/16/183073516.db2.gz LUFVRXIATDRXBC-UHFFFAOYSA-N 0 0 305.403 2.560 50 0 DFAARN C[C@H](NC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000040474221 183074455 /nfs/dbraw/zinc/07/44/55/183074455.db2.gz YVEMFEXUHWPFHH-NSHDSACASA-N 0 0 302.330 2.611 50 0 DFAARN CCCNC(=O)[C@@H](C)NC(=O)Nc1c(CC)cccc1CC ZINC000040477716 183075665 /nfs/dbraw/zinc/07/56/65/183075665.db2.gz RCFJNUUJPJYDHX-GFCCVEGCSA-N 0 0 305.422 2.848 50 0 DFAARN O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478428 183075812 /nfs/dbraw/zinc/07/58/12/183075812.db2.gz MYDNQPDNWYHYEI-LBPRGKRZSA-N 0 0 305.765 2.639 50 0 DFAARN COCCOCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000040479897 183076531 /nfs/dbraw/zinc/07/65/31/183076531.db2.gz GERIFKPHGBGGTJ-UHFFFAOYSA-N 0 0 306.387 2.720 50 0 DFAARN O=S(=O)(CCN1CCc2sccc2C1)c1ccccc1 ZINC000040485191 183077733 /nfs/dbraw/zinc/07/77/33/183077733.db2.gz PSVJXXGDAKKUIK-UHFFFAOYSA-N 0 0 307.440 2.580 50 0 DFAARN Cc1nc(COc2ccccc2C(=O)N2CCC(C)CC2)no1 ZINC000040488115 183078360 /nfs/dbraw/zinc/07/83/60/183078360.db2.gz RYALNUUINFHTPB-UHFFFAOYSA-N 0 0 315.373 2.829 50 0 DFAARN CCCc1nc(CN2CCN(Cc3cc(C)on3)CC2)cs1 ZINC000040493355 183080388 /nfs/dbraw/zinc/08/03/88/183080388.db2.gz XYASXPYPBWPCBN-UHFFFAOYSA-N 0 0 320.462 2.710 50 0 DFAARN CC(=O)Nc1cc(NCC(=O)NC2CCC(C)CC2)ccc1F ZINC000040493282 183080765 /nfs/dbraw/zinc/08/07/65/183080765.db2.gz QIAMLJPOKYDZSO-UHFFFAOYSA-N 0 0 321.396 2.891 50 0 DFAARN CC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)C2CC2)c1 ZINC000040496293 183081037 /nfs/dbraw/zinc/08/10/37/183081037.db2.gz ZQDVGJKTCQKHEG-UHFFFAOYSA-N 0 0 319.382 2.836 50 0 DFAARN CCOC(=O)N[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000040539229 183096138 /nfs/dbraw/zinc/09/61/38/183096138.db2.gz QASPYTUZWCLVKJ-NSHDSACASA-N 0 0 310.781 2.691 50 0 DFAARN Cc1ccc(-c2nc(CS(=O)(=O)C[C@@H]3CCCO3)co2)cc1 ZINC000040498850 183082914 /nfs/dbraw/zinc/08/29/14/183082914.db2.gz FIZGICYGLUMQDK-HNNXBMFYSA-N 0 0 321.398 2.744 50 0 DFAARN CN(C)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cn1 ZINC000040508648 183086077 /nfs/dbraw/zinc/08/60/77/183086077.db2.gz OERZCYGTKLPZFH-UHFFFAOYSA-N 0 0 319.368 2.857 50 0 DFAARN CCc1cc2c(ncnc2N2CCC[C@H]2C(=O)NC2CC2)s1 ZINC000040511173 183086574 /nfs/dbraw/zinc/08/65/74/183086574.db2.gz CAWOSRGTPBMBEZ-ZDUSSCGKSA-N 0 0 316.430 2.501 50 0 DFAARN Cc1occc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 ZINC000040510512 183087000 /nfs/dbraw/zinc/08/70/00/183087000.db2.gz ICFJJYOTVSEXCI-UHFFFAOYSA-N 0 0 313.279 2.844 50 0 DFAARN Cc1cc(C(=O)NCc2cccnc2OC2CCCC2)on1 ZINC000040515464 183089044 /nfs/dbraw/zinc/08/90/44/183089044.db2.gz RQRQOEPCBMBZSW-UHFFFAOYSA-N 0 0 301.346 2.629 50 0 DFAARN CNC(=O)c1cccc(NC(=O)[C@]2(C)CC2(Cl)Cl)c1C ZINC000040516494 183089463 /nfs/dbraw/zinc/08/94/63/183089463.db2.gz OSUJMGZHBJEMQB-ZDUSSCGKSA-N 0 0 315.200 2.877 50 0 DFAARN CN(Cc1cnn(C)c1)C(=O)Nc1cccc(Br)c1 ZINC000040525302 183092058 /nfs/dbraw/zinc/09/20/58/183092058.db2.gz MUWDRIYQOFGYNK-UHFFFAOYSA-N 0 0 323.194 2.847 50 0 DFAARN CN(Cc1ccccc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000040526590 183092734 /nfs/dbraw/zinc/09/27/34/183092734.db2.gz CXLFXCIORJRCKT-UHFFFAOYSA-N 0 0 318.398 2.754 50 0 DFAARN Cc1cc(CS(=O)(=O)Cc2ccc(F)cc2Cl)no1 ZINC000040528380 183093200 /nfs/dbraw/zinc/09/32/00/183093200.db2.gz PQVOLJCPGQELJM-UHFFFAOYSA-N 0 0 303.742 2.891 50 0 DFAARN CNC(=O)Cc1ccccc1NC(=O)N(C)Cc1ccccc1 ZINC000040526997 183093379 /nfs/dbraw/zinc/09/33/79/183093379.db2.gz NCDUEIGELSSNET-UHFFFAOYSA-N 0 0 311.385 2.639 50 0 DFAARN CCOc1cccc2c1OCC(C(=O)NCc1cccnc1)=C2 ZINC000040529543 183094019 /nfs/dbraw/zinc/09/40/19/183094019.db2.gz KXYSDMGBEFJJCZ-UHFFFAOYSA-N 0 0 310.353 2.573 50 0 DFAARN COc1cc(C)c([C@@H](C)NC(=O)c2cc(C)no2)cc1OC ZINC000040535595 183095843 /nfs/dbraw/zinc/09/58/43/183095843.db2.gz MCYUJEJGOZCQCK-LLVKDONJSA-N 0 0 304.346 2.800 50 0 DFAARN CCCCN(CC(N)=O)Cc1csc(-c2cccs2)n1 ZINC000040540773 183097024 /nfs/dbraw/zinc/09/70/24/183097024.db2.gz JKQVWDKADUBRQQ-UHFFFAOYSA-N 0 0 309.460 2.959 50 0 DFAARN O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCSCC1 ZINC000040542204 183098307 /nfs/dbraw/zinc/09/83/07/183098307.db2.gz IENNYHYWNYPAEV-UHFFFAOYSA-N 0 0 313.426 2.550 50 0 DFAARN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000040553260 183100521 /nfs/dbraw/zinc/10/05/21/183100521.db2.gz TVHDVVGMPYOVNP-GUYCJALGSA-N 0 0 314.429 2.875 50 0 DFAARN C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc2c(c1)CC(=O)N2 ZINC000040553607 183100530 /nfs/dbraw/zinc/10/05/30/183100530.db2.gz HBMSGKZENKPCJD-MRVPVSSYSA-N 0 0 304.733 2.919 50 0 DFAARN O=C(NCCc1ccc(C(F)(F)F)cc1)c1cnns1 ZINC000040554626 183100971 /nfs/dbraw/zinc/10/09/71/183100971.db2.gz BOWPNCUZIUXVFU-UHFFFAOYSA-N 0 0 301.293 2.529 50 0 DFAARN O=C(Nc1cccnc1OCc1ccccc1)c1cccc[n+]1[O-] ZINC000040554186 183101236 /nfs/dbraw/zinc/10/12/36/183101236.db2.gz GSTSTIGHBJUKFW-UHFFFAOYSA-N 0 0 321.336 2.546 50 0 DFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000040803393 183135926 /nfs/dbraw/zinc/13/59/26/183135926.db2.gz PXBASLKBKVKNNX-ZDUSSCGKSA-N 0 0 301.342 2.848 50 0 DFAARN C[C@@H](O)c1cccc(Nc2nc3ccccc3c(NCCO)n2)c1 ZINC000041149939 183177688 /nfs/dbraw/zinc/17/76/88/183177688.db2.gz GQINXQVKBAHZIN-GFCCVEGCSA-N 0 0 324.384 2.831 50 0 DFAARN CCc1noc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC000041123609 183168172 /nfs/dbraw/zinc/16/81/72/183168172.db2.gz NLVHWQGRYJXNFE-LLVKDONJSA-N 0 0 305.403 2.642 50 0 DFAARN CC(C)Cc1noc(C2CCN(C(=O)c3ccco3)CC2)n1 ZINC000041123119 183168360 /nfs/dbraw/zinc/16/83/60/183168360.db2.gz LOALLPYSLFBTMG-UHFFFAOYSA-N 0 0 303.362 2.881 50 0 DFAARN COC(=O)c1sc(NC(=O)C2(c3ccccc3)CC2)nc1C ZINC000041527133 183197264 /nfs/dbraw/zinc/19/72/64/183197264.db2.gz HHLUZZNHYBELTG-UHFFFAOYSA-N 0 0 316.382 2.908 50 0 DFAARN O=C(c1ccco1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000196585 296267458 /nfs/dbraw/zinc/26/74/58/296267458.db2.gz QIVFNYOWEIHRES-PRHODGIISA-N 0 0 302.252 2.533 50 0 DFAARN C[C@@H]1C[C@H]1C(=O)NCc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000041381246 183187787 /nfs/dbraw/zinc/18/77/87/183187787.db2.gz DUDIHYWBEVVYJF-RHSMWYFYSA-N 0 0 314.429 2.975 50 0 DFAARN COc1ccccc1CCNC(=O)c1cc(-c2cccnc2)on1 ZINC000041460901 183192771 /nfs/dbraw/zinc/19/27/71/183192771.db2.gz YXVRMOXYJGZCIA-UHFFFAOYSA-N 0 0 323.352 2.718 50 0 DFAARN Fc1cccc(F)c1CNCc1ccc(-n2cccn2)nc1 ZINC000042205617 183241477 /nfs/dbraw/zinc/24/14/77/183241477.db2.gz NHMREQXDBWKUBI-UHFFFAOYSA-N 0 0 300.312 2.835 50 0 DFAARN C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 ZINC000042463934 183273879 /nfs/dbraw/zinc/27/38/79/183273879.db2.gz YYBUJSMNOJGESV-WMLDXEAASA-N 0 0 314.429 2.555 50 0 DFAARN O=C(CSc1ccccc1)NCc1nncn1-c1ccccc1 ZINC000042496101 183277301 /nfs/dbraw/zinc/27/73/01/183277301.db2.gz CCESWNFHMQYUCD-UHFFFAOYSA-N 0 0 324.409 2.676 50 0 DFAARN COc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccn1 ZINC000042621663 183292244 /nfs/dbraw/zinc/29/22/44/183292244.db2.gz PWCCNSGAMMBHLA-CABCVRRESA-N 0 0 300.333 2.649 50 0 DFAARN CCc1noc([C@H](C)Sc2nnc(-c3cccnc3)n2C)n1 ZINC000042651230 183294024 /nfs/dbraw/zinc/29/40/24/183294024.db2.gz IYAZVMPIAOKZQM-VIFPVBQESA-N 0 0 316.390 2.676 50 0 DFAARN C[C@H](NC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 ZINC000042738950 183303404 /nfs/dbraw/zinc/30/34/04/183303404.db2.gz FGUHRKGYMYPKTK-VIFPVBQESA-N 0 0 305.359 2.797 50 0 DFAARN COCCCNC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000042901185 183317875 /nfs/dbraw/zinc/31/78/75/183317875.db2.gz YRBDISIMQLNVBU-OAHLLOKOSA-N 0 0 322.405 2.587 50 0 DFAARN Cc1noc(C)c1CN(C)S(=O)(=O)c1cc(C)ccc1F ZINC000042994163 183326307 /nfs/dbraw/zinc/32/63/07/183326307.db2.gz KUQDSXQSWQZEHD-UHFFFAOYSA-N 0 0 312.366 2.560 50 0 DFAARN O=C(NOCc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000043008040 183326761 /nfs/dbraw/zinc/32/67/61/183326761.db2.gz LUIVUZYAJDBYIJ-UHFFFAOYSA-N 0 0 312.325 2.505 50 0 DFAARN COC(=O)[C@@H]1C[C@H](Oc2ccc(Cl)cc2C(C)(C)C)CN1 ZINC000042783132 183309207 /nfs/dbraw/zinc/30/92/07/183309207.db2.gz QIXAXNMVIDERHE-AAEUAGOBSA-N 0 0 311.809 2.920 50 0 DFAARN CCS(=O)(=O)c1ccc(N(C)Cc2ccccc2)cc1N ZINC000042783782 183309328 /nfs/dbraw/zinc/30/93/28/183309328.db2.gz SHDKSPXEOJQBKY-UHFFFAOYSA-N 0 0 304.415 2.699 50 0 DFAARN C[C@@H](NCc1cccc2c1OCO2)c1nnc2n1CCCCC2 ZINC000042800881 183310719 /nfs/dbraw/zinc/31/07/19/183310719.db2.gz JNJSDMPMVBMOGE-GFCCVEGCSA-N 0 0 314.389 2.584 50 0 DFAARN CC(C)NC(=O)N[C@@H](CN1CCCCCC1=O)c1ccccc1 ZINC000042839659 183313108 /nfs/dbraw/zinc/31/31/08/183313108.db2.gz IDJYKHNLRQLRAB-INIZCTEOSA-N 0 0 317.433 2.838 50 0 DFAARN Cc1ccc(CNC(=O)NCc2ccc3c(c2)OCCO3)s1 ZINC000043163010 183341995 /nfs/dbraw/zinc/34/19/95/183341995.db2.gz ZIASVATUGYDSBG-UHFFFAOYSA-N 0 0 318.398 2.827 50 0 DFAARN C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)CC(C)(C)C1 ZINC000421618649 296270086 /nfs/dbraw/zinc/27/00/86/296270086.db2.gz XAQSUZLIMCQUGR-TUVASFSCSA-N 0 0 308.466 2.857 50 0 DFAARN COc1ccc([C@@H](C)NC(=O)Nc2nnc(C)s2)cc1F ZINC000043408820 183359728 /nfs/dbraw/zinc/35/97/28/183359728.db2.gz XEIABRNKRIMMOF-SSDOTTSWSA-N 0 0 310.354 2.877 50 0 DFAARN COc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1OC ZINC000043209999 183344241 /nfs/dbraw/zinc/34/42/41/183344241.db2.gz OSPYVKUTNYBQCV-UHFFFAOYSA-N 0 0 300.310 2.860 50 0 DFAARN COc1cccc(OC)c1C(=O)c1ccccc1OC(C)=O ZINC000043209817 183344615 /nfs/dbraw/zinc/34/46/15/183344615.db2.gz BVJVSROPLWWXBG-UHFFFAOYSA-N 0 0 300.310 2.860 50 0 DFAARN CCOC(=O)CCCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000043214405 183344929 /nfs/dbraw/zinc/34/49/29/183344929.db2.gz HLZJPGNNRYPRIJ-UHFFFAOYSA-N 0 0 310.346 2.629 50 0 DFAARN c1cc2c(ncnc2Nc2cnn(C[C@H]3CCCO3)c2)s1 ZINC000043272504 183349894 /nfs/dbraw/zinc/34/98/94/183349894.db2.gz BURMKJCJKUSQPP-LLVKDONJSA-N 0 0 301.375 2.810 50 0 DFAARN CCCc1nnc(NC(=O)NC[C@@H]2Cc3ccccc3O2)s1 ZINC000043555973 183371253 /nfs/dbraw/zinc/37/12/53/183371253.db2.gz RSAWNRMSTWVBOY-NSHDSACASA-N 0 0 318.402 2.616 50 0 DFAARN COC(=O)C1CCN(Cc2cc(Br)cs2)CC1 ZINC000043686917 183380327 /nfs/dbraw/zinc/38/03/27/183380327.db2.gz MTSBBBDNLHZOKJ-UHFFFAOYSA-N 0 0 318.236 2.896 50 0 DFAARN COc1ccc(C(=O)NCc2cc(F)cc(F)c2)c(OC)c1 ZINC000043756074 183384882 /nfs/dbraw/zinc/38/48/82/183384882.db2.gz WACCBDGWHQPPHE-UHFFFAOYSA-N 0 0 307.296 2.912 50 0 DFAARN O=C(Nc1cc(F)cc(F)c1)N1CCN(c2nccs2)CC1 ZINC000043881530 183388618 /nfs/dbraw/zinc/38/86/18/183388618.db2.gz MURNAXDZKHKFOQ-UHFFFAOYSA-N 0 0 324.356 2.775 50 0 DFAARN C[C@H](CCCNC(=O)CO)Nc1ccnc2cc(Cl)ccc21 ZINC000044136213 183395499 /nfs/dbraw/zinc/39/54/99/183395499.db2.gz MJFOIOWFYPCSSQ-LLVKDONJSA-N 0 0 321.808 2.577 50 0 in-vitro DFAARN Cc1cc(C)n(CCNC(=O)CSc2ccc(F)cc2)n1 ZINC000044158882 183397358 /nfs/dbraw/zinc/39/73/58/183397358.db2.gz IWWNVXKYUPYIKT-UHFFFAOYSA-N 0 0 307.394 2.548 50 0 DFAARN Cc1cccc(CSc2nnc(CN3CCCC3=O)o2)c1 ZINC000044173856 183397417 /nfs/dbraw/zinc/39/74/17/183397417.db2.gz KQAVIJWXSDJAPD-UHFFFAOYSA-N 0 0 303.387 2.793 50 0 DFAARN Cc1nc2ccccn2c1C(=O)Nc1cccc2nsnc21 ZINC000044225175 183398862 /nfs/dbraw/zinc/39/88/62/183398862.db2.gz UOAHBFSEEQYWRP-UHFFFAOYSA-N 0 0 309.354 2.900 50 0 DFAARN 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Cc1nnc(SCC(=O)N(C)Cc2ccccc2F)s1 ZINC000078448040 426170650 /nfs/dbraw/zinc/17/06/50/426170650.db2.gz MFHQBTOSNWMUKD-UHFFFAOYSA-N 0 0 311.407 2.736 50 0 DFAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccccn2n1 ZINC000133083634 426172500 /nfs/dbraw/zinc/17/25/00/426172500.db2.gz CLTKSNPYJIGQLV-UHFFFAOYSA-N 0 0 320.274 2.929 50 0 DFAARN CCn1c(CNC(=O)C=C(C)c2ccc(F)cc2)n[nH]c1=S ZINC000078496388 426173012 /nfs/dbraw/zinc/17/30/12/426173012.db2.gz MYFVOLWQCRLYGW-NTMALXAHSA-N 0 0 320.393 2.819 50 0 DFAARN Cc1ccnn1-c1cccc(NC(=O)N(C)Cc2cnn(C)c2)c1 ZINC000078550183 426175132 /nfs/dbraw/zinc/17/51/32/426175132.db2.gz DDQASBQTRLNZAJ-UHFFFAOYSA-N 0 0 324.388 2.578 50 0 DFAARN COc1ccc(C)cc1C[S@](=O)[C@H](C)C(=O)NC1CCCC1 ZINC000078556088 426175144 /nfs/dbraw/zinc/17/51/44/426175144.db2.gz HHXMJVBBYHQSBG-MCMMXHMISA-N 0 0 323.458 2.700 50 0 DFAARN O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc[nH]c1=S ZINC000078593497 426176263 /nfs/dbraw/zinc/17/62/63/426176263.db2.gz WWVYVPPQXMMIAC-INIZCTEOSA-N 0 0 324.405 2.987 50 0 DFAARN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c(-n2cccc2)c1 ZINC000078610220 426177327 /nfs/dbraw/zinc/17/73/27/426177327.db2.gz LKMZOIJPIYVMMH-HNNXBMFYSA-N 0 0 315.348 2.566 50 0 DFAARN O=C([O-])CCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000116400389 426189144 /nfs/dbraw/zinc/18/91/44/426189144.db2.gz NJKSXHQVWMCOGO-INIZCTEOSA-N 0 0 311.809 2.950 50 0 DFAARN Cc1noc(C)c1CC(=O)Nc1nc(-c2ccncc2)cs1 ZINC000079481107 426193662 /nfs/dbraw/zinc/19/36/62/426193662.db2.gz ZAJICFLXWDDCDU-UHFFFAOYSA-N 0 0 314.370 2.991 50 0 DFAARN O=C(NCCc1ccncc1)c1cccc(Nc2ncccn2)c1 ZINC000079491073 426193935 /nfs/dbraw/zinc/19/39/35/426193935.db2.gz MLYSVVAXYRXGGK-UHFFFAOYSA-N 0 0 319.368 2.588 50 0 DFAARN CN1CCCN(S(=O)(=O)c2ccc(F)cc2)c2ccccc21 ZINC000172602588 426228552 /nfs/dbraw/zinc/22/85/52/426228552.db2.gz HLZOLLYHHOHMQR-UHFFFAOYSA-N 0 0 320.389 2.861 50 0 DFAARN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cnn(CC(F)F)c1)C2 ZINC000173533578 426243009 /nfs/dbraw/zinc/24/30/09/426243009.db2.gz NXKARJYJUKJTAR-AWEZNQCLSA-N 0 0 321.327 2.707 50 0 DFAARN COc1ccc2[nH]cc(C3CC[NH+](CC(OC)OC)CC3)c2c1 ZINC000136748303 426245888 /nfs/dbraw/zinc/24/58/88/426245888.db2.gz PKDRIBHDBWVJEI-UHFFFAOYSA-N 0 0 318.417 2.975 50 0 DFAARN Cc1noc(C)c1CCCNC(=O)N(C)CCc1ccccn1 ZINC000084905884 426246646 /nfs/dbraw/zinc/24/66/46/426246646.db2.gz RXLBATOREJYWAJ-UHFFFAOYSA-N 0 0 316.405 2.503 50 0 DFAARN COC(CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)OC ZINC000118975312 426253091 /nfs/dbraw/zinc/25/30/91/426253091.db2.gz VFDZLYKPNNBUSC-ZDUSSCGKSA-N 0 0 319.323 2.698 50 0 DFAARN COc1ccc2ccccc2c1CNC(=O)CCc1ccnn1C ZINC000118972701 426253526 /nfs/dbraw/zinc/25/35/26/426253526.db2.gz SCVOZAHHWWFYCX-UHFFFAOYSA-N 0 0 323.396 2.831 50 0 DFAARN Cn1c2ccc(F)cc2nc1NC(=O)c1cnc2ccccc2n1 ZINC000174598929 426260279 /nfs/dbraw/zinc/26/02/79/426260279.db2.gz KCMDQODZSWBHOP-UHFFFAOYSA-N 0 0 321.315 2.908 50 0 DFAARN Cc1cc(CC(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)[nH]n1 ZINC000119240065 426271503 /nfs/dbraw/zinc/27/15/03/426271503.db2.gz MCUMFKLGQHEXLP-CXAGYDPISA-N 0 0 315.442 2.966 50 0 DFAARN COC(=O)C1(N(C)Cc2nnc(-c3cccs3)o2)CCCC1 ZINC000089364926 426288364 /nfs/dbraw/zinc/28/83/64/426288364.db2.gz MKIFJAXPRFEZSV-UHFFFAOYSA-N 0 0 321.402 2.716 50 0 DFAARN CNC(=O)c1cccc(N2CCC[C@@H]2c2ccccc2OC)n1 ZINC000089391995 426288436 /nfs/dbraw/zinc/28/84/36/426288436.db2.gz GOHKFLQGGIJEHH-OAHLLOKOSA-N 0 0 311.385 2.791 50 0 DFAARN COCCN(CC(F)F)C(=O)N[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000089410475 426289202 /nfs/dbraw/zinc/28/92/02/426289202.db2.gz ZGTVOTLSJJCTGE-STQMWFEESA-N 0 0 316.323 2.605 50 0 DFAARN COc1ccc(F)cc1CN1CC[C@H](C(N)=O)c2ccccc21 ZINC000089457406 426292251 /nfs/dbraw/zinc/29/22/51/426292251.db2.gz PEYOKNZFHKTCQT-HNNXBMFYSA-N 0 0 314.360 2.814 50 0 DFAARN COc1ccccc1-c1noc(CSCCn2cccn2)n1 ZINC000089483988 426294552 /nfs/dbraw/zinc/29/45/52/426294552.db2.gz GIFIZVODIRKOBL-UHFFFAOYSA-N 0 0 316.386 2.875 50 0 DFAARN Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@H](C)C1CCC1 ZINC000089536950 426295310 /nfs/dbraw/zinc/29/53/10/426295310.db2.gz USRQRODVNKDBOC-GFCCVEGCSA-N 0 0 318.421 2.537 50 0 DFAARN COC(=O)c1cc(CN2CCCC[C@H]2c2ncc[nH]2)oc1C ZINC000089536621 426295711 /nfs/dbraw/zinc/29/57/11/426295711.db2.gz KVGQXMJJEQTSPR-AWEZNQCLSA-N 0 0 303.362 2.825 50 0 DFAARN COc1cccc2c(C)c(C(=O)N3CCN(C)C[C@H]3C)oc21 ZINC000089568311 426296491 /nfs/dbraw/zinc/29/64/91/426296491.db2.gz VDHDYOPYIVGKMT-LLVKDONJSA-N 0 0 302.374 2.526 50 0 DFAARN Cc1nn(C)cc1NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000089544348 426297229 /nfs/dbraw/zinc/29/72/29/426297229.db2.gz OMKWRTAIHRARKP-CYBMUJFWSA-N 0 0 308.426 2.788 50 0 DFAARN COc1ccc(C(=O)N[C@H](C)CC(=O)c2ccco2)c(C)c1 ZINC000089587570 426298159 /nfs/dbraw/zinc/29/81/59/426298159.db2.gz RIFYQVOZZPOPEC-GFCCVEGCSA-N 0 0 301.342 2.988 50 0 DFAARN Cc1cc(C)n(-c2ccc(N[C@@H]3CCC[C@H]4OCC[C@@H]43)nn2)n1 ZINC000089595711 426298368 /nfs/dbraw/zinc/29/83/68/426298368.db2.gz OWPAGULRCVGYFN-RBSFLKMASA-N 0 0 313.405 2.649 50 0 DFAARN Cc1cccc([C@@H](C)NC(=O)NC[C@]2(O)CCSC2)c1C ZINC000089686411 426302350 /nfs/dbraw/zinc/30/23/50/426302350.db2.gz WQRUQKKTXCZNLP-CZUORRHYSA-N 0 0 308.447 2.532 50 0 DFAARN Cc1cccn2cc(CCNC(=O)NC(C3CC3)C3CC3)nc12 ZINC000089700403 426302739 /nfs/dbraw/zinc/30/27/39/426302739.db2.gz MTDUZFALNRRIPE-UHFFFAOYSA-N 0 0 312.417 2.673 50 0 DFAARN Cc1cnc(NC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)s1 ZINC000089702431 426303219 /nfs/dbraw/zinc/30/32/19/426303219.db2.gz FGYGKWIZNQWJEP-VIFPVBQESA-N 0 0 323.340 2.619 50 0 DFAARN Cc1ccn2cc(C(=O)N[C@@H](C)[C@@H]3COc4ccccc43)nc2c1 ZINC000089700877 426303325 /nfs/dbraw/zinc/30/33/25/426303325.db2.gz UCDKWXVNOVMGGB-ZFWWWQNUSA-N 0 0 321.380 2.937 50 0 DFAARN CO[C@H]1CCC[C@H]1OC(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000089736408 426304264 /nfs/dbraw/zinc/30/42/64/426304264.db2.gz FBQKPBNKTMZCTR-UONOGXRCSA-N 0 0 302.330 2.769 50 0 DFAARN Cc1noc(CCCNC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000089721108 426304979 /nfs/dbraw/zinc/30/49/79/426304979.db2.gz BVPUKMSYIJLFPA-MLGOLLRUSA-N 0 0 314.389 2.713 50 0 DFAARN Cc1ncc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)s1 ZINC000089730109 426305221 /nfs/dbraw/zinc/30/52/21/426305221.db2.gz RGYHFSQJTQLLIW-MJBXVCDLSA-N 0 0 321.446 2.598 50 0 DFAARN Cn1cc(C[C@H]2CCN(C(=O)C3(c4ccccc4)CC3)C2)cn1 ZINC000089755434 426305496 /nfs/dbraw/zinc/30/54/96/426305496.db2.gz PNIIQRXZRYXOGB-OAHLLOKOSA-N 0 0 309.413 2.543 50 0 DFAARN O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H]1CCCc2n[nH]cc21 ZINC000089764900 426306779 /nfs/dbraw/zinc/30/67/79/426306779.db2.gz LATRUHGUOMYCNB-KBPBESRZSA-N 0 0 317.433 2.828 50 0 DFAARN O=C(Nc1cnc(C2CC2)nc1)c1[nH]nc(C2CC2)c1Cl ZINC000089764585 426307247 /nfs/dbraw/zinc/30/72/47/426307247.db2.gz XAIQBUJZBVJLMX-UHFFFAOYSA-N 0 0 303.753 2.860 50 0 DFAARN O=C(c1cc(C2CC2)on1)N1CCN(Cc2cccs2)CC1 ZINC000089800011 426309420 /nfs/dbraw/zinc/30/94/20/426309420.db2.gz WPDLRIKDCSSNLV-UHFFFAOYSA-N 0 0 317.414 2.572 50 0 DFAARN O=C(COC1CCCCC1)N1CCO[C@H](c2cccs2)C1 ZINC000089799976 426309989 /nfs/dbraw/zinc/30/99/89/426309989.db2.gz MMWQIZWLNMIVDG-AWEZNQCLSA-N 0 0 309.431 2.997 50 0 DFAARN Cc1ccc(NCCNC(=O)c2cccc(-c3ccoc3)c2)nn1 ZINC000089813591 426310633 /nfs/dbraw/zinc/31/06/33/426310633.db2.gz CAWYKQDIHZEHGY-UHFFFAOYSA-N 0 0 322.368 2.887 50 0 DFAARN O=C(Cc1cn2ccsc2n1)NC1(c2ccccc2F)CC1 ZINC000089813377 426310868 /nfs/dbraw/zinc/31/08/68/426310868.db2.gz PFJVRYVHGZDSKL-UHFFFAOYSA-N 0 0 315.373 2.883 50 0 DFAARN O=C(NCCc1cc(F)ccc1F)N[C@@H](CO)c1ccccc1 ZINC000089826373 426311574 /nfs/dbraw/zinc/31/15/74/426311574.db2.gz DPIXHJMRKMATQF-INIZCTEOSA-N 0 0 320.339 2.540 50 0 DFAARN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)NC1CCCCC1 ZINC000089818440 426312035 /nfs/dbraw/zinc/31/20/35/426312035.db2.gz UYWOCCPDWWUVLH-AWEZNQCLSA-N 0 0 307.438 2.552 50 0 DFAARN O=C(Cn1ncc2ccccc21)N1CCC[C@@H]1c1ccncc1 ZINC000089873286 426314554 /nfs/dbraw/zinc/31/45/54/426314554.db2.gz ODNKCZMZRYYECL-MRXNPFEDSA-N 0 0 306.369 2.795 50 0 DFAARN O=C(NCc1ccc2ccccc2c1)NC[C@@]1(O)CCSC1 ZINC000089878762 426315605 /nfs/dbraw/zinc/31/56/05/426315605.db2.gz HFNWVCOSWJQDGR-KRWDZBQOSA-N 0 0 316.426 2.507 50 0 DFAARN COc1cccc(CC(=O)N[C@H](C)C[C@@H](O)c2ccccc2)c1 ZINC000089894960 426316373 /nfs/dbraw/zinc/31/63/73/426316373.db2.gz NWEXVDADYYAQJD-RDTXWAMCSA-N 0 0 313.397 2.866 50 0 DFAARN C[C@@H]1c2ccccc2CCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000089941517 426320501 /nfs/dbraw/zinc/32/05/01/426320501.db2.gz SYGDOCPGVDWEKE-HIFRSBDPSA-N 0 0 309.431 2.505 50 0 DFAARN CC[C@H](NC(=O)Cc1cc[nH]n1)c1ccccc1Br ZINC000089947898 426321153 /nfs/dbraw/zinc/32/11/53/426321153.db2.gz SMXLJJCUYKVNOU-ZDUSSCGKSA-N 0 0 322.206 2.982 50 0 DFAARN C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCCN1C(=O)C1CC1 ZINC000089941513 426321373 /nfs/dbraw/zinc/32/13/73/426321373.db2.gz OIYSOSNZYDBADF-CXAGYDPISA-N 0 0 312.413 2.533 50 0 DFAARN CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000089942277 426321383 /nfs/dbraw/zinc/32/13/83/426321383.db2.gz QJDZKGPFIHRRAF-MELADBBJSA-N 0 0 312.454 2.534 50 0 DFAARN CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000089943580 426321500 /nfs/dbraw/zinc/32/15/00/426321500.db2.gz LGHVYZXBQIVUFX-CXAGYDPISA-N 0 0 313.401 2.880 50 0 DFAARN O=C1NCC[C@H]1Nc1ccc(Br)c2ccccc12 ZINC000090996434 426335546 /nfs/dbraw/zinc/33/55/46/426335546.db2.gz KUSJBPXUZAEABE-CYBMUJFWSA-N 0 0 305.175 2.903 50 0 DFAARN COC(=O)Cc1cccc(NC(=O)c2cccc(N(C)C)c2)c1 ZINC000089326717 426287382 /nfs/dbraw/zinc/28/73/82/426287382.db2.gz DQUHFNGSGGTUDH-UHFFFAOYSA-N 0 0 312.369 2.720 50 0 DFAARN CO[C@]1(CNC(=O)CSCc2ccccc2)CCSC1 ZINC000096097593 426396414 /nfs/dbraw/zinc/39/64/14/426396414.db2.gz GQHIQBJEEVQIOY-HNNXBMFYSA-N 0 0 311.472 2.558 50 0 DFAARN O=C(CCc1ccccc1)NCCn1ccc(-c2ccncc2)n1 ZINC000096098791 426396988 /nfs/dbraw/zinc/39/69/88/426396988.db2.gz KJJWPQKJIPAZBH-UHFFFAOYSA-N 0 0 320.396 2.694 50 0 DFAARN COc1cccc(C(=O)NC2CCN(c3nccs3)CC2)c1 ZINC000096099780 426397567 /nfs/dbraw/zinc/39/75/67/426397567.db2.gz XYLLTYICHIEJOW-UHFFFAOYSA-N 0 0 317.414 2.551 50 0 DFAARN Cn1nc(CNC(=O)c2ccc(Br)o2)cc1C1CC1 ZINC000096099327 426398154 /nfs/dbraw/zinc/39/81/54/426398154.db2.gz DVTBKCMBVRTEHO-UHFFFAOYSA-N 0 0 324.178 2.583 50 0 DFAARN CCOC[C@H]1CCCN1C(=O)c1cccc(Cn2cccn2)c1 ZINC000096133085 426399942 /nfs/dbraw/zinc/39/99/42/426399942.db2.gz SXZHLLDPGIRAEE-QGZVFWFLSA-N 0 0 313.401 2.573 50 0 DFAARN COc1cccc(CNC(=O)c2noc(-c3ccc(C)cc3)n2)c1 ZINC000096125490 426400097 /nfs/dbraw/zinc/40/00/97/426400097.db2.gz YBGCSQCMUFRHOR-UHFFFAOYSA-N 0 0 323.352 2.984 50 0 DFAARN COc1cc2c(cc1CNC(=O)CCCc1cn[nH]c1)CCC2 ZINC000096138830 426400184 /nfs/dbraw/zinc/40/01/84/426400184.db2.gz XVBCXWWHFZYMBA-UHFFFAOYSA-N 0 0 313.401 2.546 50 0 DFAARN Cn1c2cnccc2nc1[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000096125077 426400455 /nfs/dbraw/zinc/40/04/55/426400455.db2.gz QZDOFHFJPQNHEY-CQSZACIVSA-N 0 0 312.417 2.865 50 0 DFAARN CN(Cc1ccc2nonc2c1)c1nccc(-c2cccnc2)n1 ZINC000096136501 426400534 /nfs/dbraw/zinc/40/05/34/426400534.db2.gz REBWCLORVVVOTK-UHFFFAOYSA-N 0 0 318.340 2.711 50 0 DFAARN Cc1nn(C)cc1NC(=O)N[C@H](c1ccccn1)C(F)(F)F ZINC000096150552 426402246 /nfs/dbraw/zinc/40/22/46/426402246.db2.gz UJQFRXCDSFTIAD-LLVKDONJSA-N 0 0 313.283 2.549 50 0 DFAARN C[C@@H](O)c1cccc(N(C)Cc2cnn(-c3ccccc3)c2)n1 ZINC000096164188 426402847 /nfs/dbraw/zinc/40/28/47/426402847.db2.gz PQMGPUIKRMFAEO-CQSZACIVSA-N 0 0 308.385 2.957 50 0 DFAARN Cc1nn(C)c2nc(NCCc3noc(C4CCC4)n3)sc12 ZINC000096160917 426403080 /nfs/dbraw/zinc/40/30/80/426403080.db2.gz ATHUJPJDDTXNEY-UHFFFAOYSA-N 0 0 318.406 2.643 50 0 DFAARN Cc1nn(C)c2nc(N(C)Cc3noc4c3CCCC4)sc12 ZINC000096160456 426403383 /nfs/dbraw/zinc/40/33/83/426403383.db2.gz VBTMXPPPKUJOMX-UHFFFAOYSA-N 0 0 317.418 2.841 50 0 DFAARN O=C(/C=C\c1ccco1)NCC(=O)NC1(c2ccccc2)CCC1 ZINC000096179952 426403494 /nfs/dbraw/zinc/40/34/94/426403494.db2.gz DJNHUAFNAFMVGX-KTKRTIGZSA-N 0 0 324.380 2.605 50 0 DFAARN Cc1cc(-c2nc(CN3CCOCC3)no2)c2cccc(C)c2n1 ZINC000096179842 426403550 /nfs/dbraw/zinc/40/35/50/426403550.db2.gz MJYLXWJJFPRVHW-UHFFFAOYSA-N 0 0 324.384 2.734 50 0 DFAARN CC(C)C(=O)NCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1 ZINC000096179879 426403691 /nfs/dbraw/zinc/40/36/91/426403691.db2.gz URDAFGMJOGUTLB-AWEZNQCLSA-N 0 0 315.373 2.513 50 0 DFAARN Cc1noc([C@H](C)NC(=O)/C=C\c2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000096188018 426404623 /nfs/dbraw/zinc/40/46/23/426404623.db2.gz ZXOFTHLHYXNDAN-PICDACHXSA-N 0 0 301.346 2.985 50 0 DFAARN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c(=O)[nH]1 ZINC000152714361 426349889 /nfs/dbraw/zinc/34/98/89/426349889.db2.gz CKSSAYQWNPNNBS-INIZCTEOSA-N 0 0 310.397 2.949 50 0 DFAARN CN1CCN(Cc2ccccc2)[C@H](C(=O)OCc2ccccc2)C1 ZINC000095082160 426363142 /nfs/dbraw/zinc/36/31/42/426363142.db2.gz XJAUWQWRZFAKRH-IBGZPJMESA-N 0 0 324.424 2.546 50 0 DFAARN Cc1ccccc1[C@H](C(=O)NCCCc1ccncc1)N(C)C ZINC000095352299 426366880 /nfs/dbraw/zinc/36/68/80/426366880.db2.gz ODNRWIJZQJAYIF-GOSISDBHSA-N 0 0 311.429 2.742 50 0 DFAARN Cc1ccc(S[C@H](C)C(=O)N2CCc3[nH]cnc3C2)cc1 ZINC000095356747 426366984 /nfs/dbraw/zinc/36/69/84/426366984.db2.gz XRMJQDPVVLEGMM-GFCCVEGCSA-N 0 0 301.415 2.784 50 0 DFAARN COC(=O)CN(C)C(=O)c1cccc2c3c([nH]c21)CC[C@H](C)C3 ZINC000095349994 426367149 /nfs/dbraw/zinc/36/71/49/426367149.db2.gz UJYMDKGOUUSFIS-NSHDSACASA-N 0 0 314.385 2.538 50 0 DFAARN CCc1nc2ccccc2n1[C@H](CC)C(=O)NC1CCOCC1 ZINC000095361454 426367564 /nfs/dbraw/zinc/36/75/64/426367564.db2.gz XVYHBOKZAKBYNY-OAHLLOKOSA-N 0 0 315.417 2.845 50 0 DFAARN Cc1noc2ncnc(N(C)Cc3nc4cc(F)ccc4[nH]3)c12 ZINC000095368251 426367660 /nfs/dbraw/zinc/36/76/60/426367660.db2.gz VOJTXQLSDGOFRK-UHFFFAOYSA-N 0 0 312.308 2.578 50 0 DFAARN Cc1nc2ccccc2n(Cc2noc(C3CCCC3)n2)c1=O ZINC000095363044 426367898 /nfs/dbraw/zinc/36/78/98/426367898.db2.gz KCWSCCKOHDIINS-UHFFFAOYSA-N 0 0 310.357 2.794 50 0 DFAARN CN(C)c1nsc(NC[C@H]2CCOc3ccccc3C2)n1 ZINC000095363166 426368093 /nfs/dbraw/zinc/36/80/93/426368093.db2.gz YHUASUNHYDTKGA-NSHDSACASA-N 0 0 304.419 2.657 50 0 DFAARN Cc1ccc(CCNC(=O)[C@H](C)N2CCc3ccccc3C2)o1 ZINC000095369941 426369116 /nfs/dbraw/zinc/36/91/16/426369116.db2.gz RQOSKEGPUQGYIO-HNNXBMFYSA-N 0 0 312.413 2.694 50 0 DFAARN O=C(/C=C/c1cnccn1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000095369450 426369453 /nfs/dbraw/zinc/36/94/53/426369453.db2.gz LNTQTVAGYDNHOH-CSPWOOARSA-N 0 0 313.332 2.659 50 0 DFAARN COc1cccc2c1OC[C@@H](CNC(=O)CCC(F)(F)F)C2 ZINC000095378849 426369969 /nfs/dbraw/zinc/36/99/69/426369969.db2.gz GHPYGEVLMVIEEA-SNVBAGLBSA-N 0 0 317.307 2.705 50 0 DFAARN Cc1c(Cl)cc(C(=O)N[C@H](C)c2ncnn2C)cc1Cl ZINC000095384334 426370544 /nfs/dbraw/zinc/37/05/44/426370544.db2.gz BXAWCCZZYKESFT-MRVPVSSYSA-N 0 0 313.188 2.921 50 0 DFAARN CCc1ccccc1OC1CN(C(=O)c2cnc(C3CC3)nc2)C1 ZINC000095386220 426371331 /nfs/dbraw/zinc/37/13/31/426371331.db2.gz MSQAAZIXLOGUSI-UHFFFAOYSA-N 0 0 323.396 2.820 50 0 DFAARN C[C@H](CNC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccncc1 ZINC000095426215 426372573 /nfs/dbraw/zinc/37/25/73/426372573.db2.gz VSOPXOKJCQCTSP-GDBMZVCRSA-N 0 0 317.433 2.976 50 0 DFAARN O=C(Nc1ccnc2ncnn21)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000095458283 426373126 /nfs/dbraw/zinc/37/31/26/426373126.db2.gz FZVNYDQSQPLFTA-WDEREUQCSA-N 0 0 313.748 2.520 50 0 DFAARN COc1ccc2cc(C=O)c(I)nc2c1 ZINC000095473268 426373833 /nfs/dbraw/zinc/37/38/33/426373833.db2.gz 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KAHVLACUSWJFBA-UHFFFAOYSA-N 0 0 323.396 2.600 50 0 DFAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1nccs1 ZINC000095946802 426376171 /nfs/dbraw/zinc/37/61/71/426376171.db2.gz OAVUNANDJZKRBY-AWEZNQCLSA-N 0 0 315.398 2.618 50 0 DFAARN CCn1cnnc1C1CCN(c2ncnc3sccc32)CC1 ZINC000095948897 426376503 /nfs/dbraw/zinc/37/65/03/426376503.db2.gz YHILIYZUFIQGMB-UHFFFAOYSA-N 0 0 314.418 2.687 50 0 DFAARN CCSCCNc1ccc(Br)cc1C(=O)NC ZINC000095943734 426376595 /nfs/dbraw/zinc/37/65/95/426376595.db2.gz OOGLLWPJEIHHMP-UHFFFAOYSA-N 0 0 317.252 2.974 50 0 DFAARN Cc1nc([C@H]2CN(CCSc3ccccc3)CCO2)no1 ZINC000095960177 426376948 /nfs/dbraw/zinc/37/69/48/426376948.db2.gz BCAWMTVOHQWWTF-CQSZACIVSA-N 0 0 305.403 2.544 50 0 DFAARN C[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1cccn1 ZINC000095953804 426377288 /nfs/dbraw/zinc/37/72/88/426377288.db2.gz UKUTVOGUODTZAH-UHOFOFEASA-N 0 0 317.364 2.620 50 0 DFAARN COC(=O)C1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000095959354 426377339 /nfs/dbraw/zinc/37/73/39/426377339.db2.gz 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/nfs/dbraw/zinc/37/80/52/426378052.db2.gz CDMTXQDDNYVFCW-UHFFFAOYSA-N 0 0 308.341 2.837 50 0 DFAARN CSC(C)(C)CNC(=O)Nc1cnn(-c2ccccn2)c1 ZINC000095962294 426378073 /nfs/dbraw/zinc/37/80/73/426378073.db2.gz FHYDISHHPQMOIL-UHFFFAOYSA-N 0 0 305.407 2.530 50 0 DFAARN CC(C)S(=O)(=O)CCN1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000095965465 426378147 /nfs/dbraw/zinc/37/81/47/426378147.db2.gz JYYUIACOLLNFGQ-MRXNPFEDSA-N 0 0 323.458 2.547 50 0 DFAARN C[C@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1cccnc1 ZINC000095965092 426378381 /nfs/dbraw/zinc/37/83/81/426378381.db2.gz WXUSTKGXERZYNN-NSHDSACASA-N 0 0 306.797 2.976 50 0 DFAARN CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCCCCC1 ZINC000095964401 426378503 /nfs/dbraw/zinc/37/85/03/426378503.db2.gz WLJXIHCHCMNUJV-MNVSYLFESA-N 0 0 300.468 2.652 50 0 DFAARN O=C(NCCc1nccs1)c1c(F)c(F)cc(F)c1F ZINC000095963545 426378602 /nfs/dbraw/zinc/37/86/02/426378602.db2.gz NNIXHGBWEVQCJC-UHFFFAOYSA-N 0 0 304.268 2.672 50 0 DFAARN CCc1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000095964285 426378634 /nfs/dbraw/zinc/37/86/34/426378634.db2.gz RTTMVFAUPCNBCH-HOTGVXAUSA-N 0 0 309.431 2.581 50 0 DFAARN CCN(C(=O)Cn1nccc1-c1ccncc1)c1ccccc1 ZINC000095963270 426378694 /nfs/dbraw/zinc/37/86/94/426378694.db2.gz IDOCKOYTLVGGRE-UHFFFAOYSA-N 0 0 306.369 2.998 50 0 DFAARN CN(CCO)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000095964854 426378870 /nfs/dbraw/zinc/37/88/70/426378870.db2.gz BLIZZEXSHWEMGZ-UHFFFAOYSA-N 0 0 307.575 2.559 50 0 DFAARN CCn1ccc(NC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)n1 ZINC000096192472 426406163 /nfs/dbraw/zinc/40/61/63/426406163.db2.gz PXKMNSCALDHVPG-INIZCTEOSA-N 0 0 316.336 2.564 50 0 DFAARN CSc1nc(-c2ccccc2)cn1CCCS(C)(=O)=O ZINC000095966020 426379168 /nfs/dbraw/zinc/37/91/68/426379168.db2.gz FILVCLKAUFTDEY-UHFFFAOYSA-N 0 0 310.444 2.707 50 0 DFAARN Cn1nccc1CNC(=O)NC[C@H]1C[C@]12CCCc1ccccc12 ZINC000095965941 426379214 /nfs/dbraw/zinc/37/92/14/426379214.db2.gz HFKVCOILBHQFJP-DNVCBOLYSA-N 0 0 324.428 2.514 50 0 DFAARN Cc1cc(CN(CCO)c2ccc(Br)cc2)on1 ZINC000095973607 426380043 /nfs/dbraw/zinc/38/00/43/426380043.db2.gz LMCJFOGFWZBFFL-UHFFFAOYSA-N 0 0 311.179 2.744 50 0 DFAARN CC(C)Oc1cccc(CNC(=O)N(C)C[C@H]2CCC[C@H]2O)c1 ZINC000095974434 426380057 /nfs/dbraw/zinc/38/00/57/426380057.db2.gz MNRVKZGOOAEHCS-NVXWUHKLSA-N 0 0 320.433 2.776 50 0 DFAARN C[C@H](NC(=O)N[C@]1(C)CCOC1)c1cc(F)c(F)c(F)c1 ZINC000095975361 426380171 /nfs/dbraw/zinc/38/01/71/426380171.db2.gz NTHSMGRGTMEWQY-RMLUDKJBSA-N 0 0 302.296 2.643 50 0 DFAARN CC(C)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)CO)c1 ZINC000095975992 426380292 /nfs/dbraw/zinc/38/02/92/426380292.db2.gz IFANSHIGMXWEHM-CVEARBPZSA-N 0 0 311.447 2.639 50 0 DFAARN C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095971486 426380552 /nfs/dbraw/zinc/38/05/52/426380552.db2.gz DZWSYMNPQYPOCY-JQWIXIFHSA-N 0 0 322.409 2.607 50 0 DFAARN C[C@H](Nc1nc(N)c2ccccc2n1)[C@@H](O)Cc1ccccc1 ZINC000095978592 426381054 /nfs/dbraw/zinc/38/10/54/426381054.db2.gz AJNGWHGRVUEFDY-LRDDRELGSA-N 0 0 308.385 2.616 50 0 DFAARN CC[C@H](SC)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000095977505 426381059 /nfs/dbraw/zinc/38/10/59/426381059.db2.gz VHDVYZUOEDWLBL-LBPRGKRZSA-N 0 0 320.418 2.883 50 0 DFAARN c1cn(-c2ccc(CN(Cc3ccncc3)C3CC3)cn2)cn1 ZINC000095977238 426381180 /nfs/dbraw/zinc/38/11/80/426381180.db2.gz NUDVAOYRKRXROB-UHFFFAOYSA-N 0 0 305.385 2.827 50 0 DFAARN Cc1ocnc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000095978439 426381208 /nfs/dbraw/zinc/38/12/08/426381208.db2.gz GPQNCIWOFVDLOX-JTQLQIEISA-N 0 0 323.755 2.784 50 0 DFAARN C[C@H](O)CCN(C)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000095978974 426381226 /nfs/dbraw/zinc/38/12/26/426381226.db2.gz OWZSHZZTDHUKTQ-LBPRGKRZSA-N 0 0 310.825 2.784 50 0 DFAARN COc1ccc(O)c(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c1 ZINC000095979076 426381531 /nfs/dbraw/zinc/38/15/31/426381531.db2.gz YCRRDZDQODJMML-SECBINFHSA-N 0 0 303.362 2.873 50 0 DFAARN C[C@@H](CC(=O)c1cccs1)NC(=O)Cc1ccc(O)cc1 ZINC000095979601 426381654 /nfs/dbraw/zinc/38/16/54/426381654.db2.gz FPKDQKNCLBXHNZ-NSHDSACASA-N 0 0 303.383 2.774 50 0 DFAARN COC[C@@H](NC(=O)c1ccc(Br)c(O)c1)C(C)C ZINC000095978848 426381802 /nfs/dbraw/zinc/38/18/02/426381802.db2.gz WWFFINSPPRIPIC-LLVKDONJSA-N 0 0 316.195 2.556 50 0 DFAARN O=C(NCC(C1CC1)C1CC1)N1CCC(O)(C(F)(F)F)CC1 ZINC000095985250 426382477 /nfs/dbraw/zinc/38/24/77/426382477.db2.gz TZVGCUSOHAVIDW-UHFFFAOYSA-N 0 0 320.355 2.521 50 0 DFAARN Cc1nnc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000095984663 426382710 /nfs/dbraw/zinc/38/27/10/426382710.db2.gz MOQOFGWIPUUHQK-SNVBAGLBSA-N 0 0 318.402 2.654 50 0 DFAARN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccncc1 ZINC000095988980 426383730 /nfs/dbraw/zinc/38/37/30/426383730.db2.gz GXRSGHJKIFDTDP-CQSZACIVSA-N 0 0 301.777 2.744 50 0 DFAARN COc1cccc(F)c1[C@@H](C)NCC(=O)N1CCC[C@@H](C)C1 ZINC000095985424 426384290 /nfs/dbraw/zinc/38/42/90/426384290.db2.gz PNWHKVQURDBQCS-CHWSQXEVSA-N 0 0 308.397 2.743 50 0 DFAARN Cc1ccnc([C@@H](NC(=O)c2cc3ccccn3c2)C2CC2)n1 ZINC000095986953 426384426 /nfs/dbraw/zinc/38/44/26/426384426.db2.gz DHBSDWPWKOWZRV-INIZCTEOSA-N 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182836062 /nfs/dbraw/zinc/83/60/62/182836062.db2.gz WGNSOXMXZPAALQ-AWEZNQCLSA-N 0 0 301.415 2.855 50 0 DFAARN CCN(CC)C1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898136 284569398 /nfs/dbraw/zinc/56/93/98/284569398.db2.gz BAWGLNKQKFSNDK-UHFFFAOYSA-N 0 0 316.401 2.907 50 0 biogenic,in-vitro DFAARN CCOc1cccc2sc(NC(=O)c3c(C)cnn3C)nc21 ZINC000038506318 183000461 /nfs/dbraw/zinc/00/04/61/183000461.db2.gz LVRNKDPXLDNWRD-UHFFFAOYSA-N 0 0 316.386 2.989 50 0 DFAARN CC(C)n1ccc(-c2nnc(NC(=O)Cc3cccs3)o2)n1 ZINC000038499383 183000587 /nfs/dbraw/zinc/00/05/87/183000587.db2.gz HKCWDRNBTFDNAB-UHFFFAOYSA-N 0 0 317.374 2.757 50 0 DFAARN COc1ccc(C(C)C)cc1S(=O)(=O)NCc1cccnc1 ZINC000038556568 183002573 /nfs/dbraw/zinc/00/25/73/183002573.db2.gz FJLLFFCZNDTKBR-UHFFFAOYSA-N 0 0 320.414 2.692 50 0 DFAARN CC(C)(C)c1noc([C@@H]2CC(=O)N(Cc3cccs3)C2)n1 ZINC000038671156 183005718 /nfs/dbraw/zinc/00/57/18/183005718.db2.gz OPNWJBATMFFXLZ-SNVBAGLBSA-N 0 0 305.403 2.945 50 0 DFAARN Cc1nnsc1C(=O)NCc1cc(-c2ccc(C)cc2)on1 ZINC000038752627 183008612 /nfs/dbraw/zinc/00/86/12/183008612.db2.gz GQYROOGTNNQERV-UHFFFAOYSA-N 0 0 314.370 2.740 50 0 DFAARN COc1ccc(-c2cc(CNC(=O)c3cc(C)on3)no2)cc1 ZINC000038753673 183008694 /nfs/dbraw/zinc/00/86/94/183008694.db2.gz HXPBNJDBYFBRQG-UHFFFAOYSA-N 0 0 313.313 2.577 50 0 DFAARN CCCC1N=NC(=S)N1CC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000039995535 183027228 /nfs/dbraw/zinc/02/72/28/183027228.db2.gz ILEPIYSSABACHI-JTQLQIEISA-N 0 0 322.409 2.536 50 0 DFAARN CCCC1N=NC(=S)N1CC(=O)N[C@H](C)c1cccc(F)c1 ZINC000039995536 183027388 /nfs/dbraw/zinc/02/73/88/183027388.db2.gz ILEPIYSSABACHI-SNVBAGLBSA-N 0 0 322.409 2.536 50 0 DFAARN Cc1ccccc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000040018010 183028337 /nfs/dbraw/zinc/02/83/37/183028337.db2.gz VXTBULLVKBHSGW-ZDUSSCGKSA-N 0 0 316.426 2.594 50 0 DFAARN CC(=O)c1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1 ZINC000040040326 183028953 /nfs/dbraw/zinc/02/89/53/183028953.db2.gz ZWZKMJJVUQAMDK-UHFFFAOYSA-N 0 0 320.352 2.781 50 0 DFAARN CC[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(C)no1 ZINC000040040824 183029263 /nfs/dbraw/zinc/02/92/63/183029263.db2.gz QQDSNOCMSHVISP-LBPRGKRZSA-N 0 0 305.403 2.992 50 0 DFAARN CCc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c(C)c1C(=O)OC ZINC000039494681 183019486 /nfs/dbraw/zinc/01/94/86/183019486.db2.gz ZUTSMUNPFVNENK-NSHDSACASA-N 0 0 315.373 2.558 50 0 DFAARN COc1ccc([C@@H]2CCCN2Cc2nc(C)no2)cc1OC ZINC000040067068 183031013 /nfs/dbraw/zinc/03/10/13/183031013.db2.gz KAYKQTNBASZCFP-ZDUSSCGKSA-N 0 0 303.362 2.732 50 0 DFAARN O=C(OCc1cccnc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000039976067 183025866 /nfs/dbraw/zinc/02/58/66/183025866.db2.gz GTMLCJVAYGIJHD-UHFFFAOYSA-N 0 0 305.717 2.863 50 0 DFAARN c1cc2c(ncnc2NCCOc2ccc3c(c2)OCO3)s1 ZINC000040153743 183040763 /nfs/dbraw/zinc/04/07/63/183040763.db2.gz AMWGHHXFAGCLLM-UHFFFAOYSA-N 0 0 315.354 2.911 50 0 DFAARN O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)Cc1ccccc1 ZINC000040159927 183041372 /nfs/dbraw/zinc/04/13/72/183041372.db2.gz VNNIZBOCCLHQPB-UHFFFAOYSA-N 0 0 308.337 2.811 50 0 DFAARN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 ZINC000040162031 183042135 /nfs/dbraw/zinc/04/21/35/183042135.db2.gz KPFANIGCVFWBCA-GOEBONIOSA-N 0 0 314.429 2.697 50 0 DFAARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccncc1 ZINC000040183690 183044698 /nfs/dbraw/zinc/04/46/98/183044698.db2.gz MUDGUOKHYUDKJK-ZDUSSCGKSA-N 0 0 324.384 2.569 50 0 DFAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccn1 ZINC000040185161 183044910 /nfs/dbraw/zinc/04/49/10/183044910.db2.gz KQQHHQZYTAVFRK-CYBMUJFWSA-N 0 0 324.384 2.569 50 0 DFAARN Cc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nn2)cc1 ZINC000040073612 183031357 /nfs/dbraw/zinc/03/13/57/183031357.db2.gz RRUDDPYFMZSKBA-UHFFFAOYSA-N 0 0 306.369 2.848 50 0 DFAARN O=C(NCC1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000040074154 183031387 /nfs/dbraw/zinc/03/13/87/183031387.db2.gz ACZCNNMCHJEOKC-OAHLLOKOSA-N 0 0 300.402 2.736 50 0 DFAARN C[C@@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)[C@@H](C)CO1 ZINC000040082878 183032207 /nfs/dbraw/zinc/03/22/07/183032207.db2.gz YHSVQYJGQQENNJ-WDEREUQCSA-N 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321.402 2.959 50 0 DFAARN Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2occc21 ZINC000040284515 183050327 /nfs/dbraw/zinc/05/03/27/183050327.db2.gz DVZAYDHSQUNCEG-UHFFFAOYSA-N 0 0 323.396 2.729 50 0 DFAARN Cc1nc2ccc(NCC(=O)NCC(F)(F)F)cc2s1 ZINC000040461010 183069998 /nfs/dbraw/zinc/06/99/98/183069998.db2.gz XLRRCSNUOIOPBP-UHFFFAOYSA-N 0 0 303.309 2.695 50 0 DFAARN O=C(CN1CCCC1=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000040476713 183075092 /nfs/dbraw/zinc/07/50/92/183075092.db2.gz UVOHSDITSJADLC-MDZDMXLPSA-N 0 0 321.380 2.813 50 0 DFAARN NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478340 183075719 /nfs/dbraw/zinc/07/57/19/183075719.db2.gz GFZRCSVINOIKPP-UHFFFAOYSA-N 0 0 324.315 2.567 50 0 DFAARN C[C@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)CCO1 ZINC000040477926 183075922 /nfs/dbraw/zinc/07/59/22/183075922.db2.gz GBYLVHRZTUZYRY-LBPRGKRZSA-N 0 0 318.398 2.583 50 0 DFAARN Cc1cc(NC(=O)c2cnccn2)n(-c2cc(C)cc(C)c2)n1 ZINC000040477602 183075954 /nfs/dbraw/zinc/07/59/54/183075954.db2.gz PJDFQJHDGGEXIS-UHFFFAOYSA-N 0 0 307.357 2.840 50 0 DFAARN CCCN(CCC)C(=O)Cn1c(CC)nc2ccccc2c1=O ZINC000040478656 183076233 /nfs/dbraw/zinc/07/62/33/183076233.db2.gz FXAWFIOMCNFHLF-UHFFFAOYSA-N 0 0 315.417 2.608 50 0 DFAARN O=c1[nH]ncc(NCc2ccc(OC(F)(F)F)cc2)c1Cl ZINC000040480233 183076969 /nfs/dbraw/zinc/07/69/69/183076969.db2.gz FGWKPZIXZFRUMR-UHFFFAOYSA-N 0 0 319.670 2.934 50 0 DFAARN CCc1cc2c(ncn(C[C@H](O)c3ccccc3)c2=O)s1 ZINC000040485485 183078004 /nfs/dbraw/zinc/07/80/04/183078004.db2.gz HCUDPCIZLLFTGL-AWEZNQCLSA-N 0 0 300.383 2.754 50 0 DFAARN C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)C(=O)Nc1ccccc1 ZINC000040497380 183082058 /nfs/dbraw/zinc/08/20/58/183082058.db2.gz OGANOSHPUFSDMM-JTQLQIEISA-N 0 0 317.776 2.878 50 0 DFAARN C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc(Cl)c(C(N)=O)c1 ZINC000040501254 183083370 /nfs/dbraw/zinc/08/33/70/183083370.db2.gz XSPAOOOQUAZTHW-HZMBPMFUSA-N 0 0 323.824 2.546 50 0 DFAARN CCCO[C@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000040501520 183083485 /nfs/dbraw/zinc/08/34/85/183083485.db2.gz DPYDNAUVYYMXDB-NSHDSACASA-N 0 0 315.211 2.808 50 0 DFAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000040508992 183085912 /nfs/dbraw/zinc/08/59/12/183085912.db2.gz VVQBAPLAUKMGJO-PWSUYJOCSA-N 0 0 313.829 2.798 50 0 DFAARN CONC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000040511949 183087298 /nfs/dbraw/zinc/08/72/98/183087298.db2.gz YDFQYHINRRYHFR-UHFFFAOYSA-N 0 0 324.178 2.543 50 0 DFAARN C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1nc(C(C)(C)C)no1 ZINC000040511410 183087369 /nfs/dbraw/zinc/08/73/69/183087369.db2.gz AWSHVHBQEOGMRP-MRVPVSSYSA-N 0 0 301.350 2.710 50 0 DFAARN CCOc1ccc([C@@H](C)NC(=O)c2cc(C)no2)cc1OC ZINC000040512600 183088058 /nfs/dbraw/zinc/08/80/58/183088058.db2.gz RGLQNEXHBRXLPO-LLVKDONJSA-N 0 0 304.346 2.881 50 0 DFAARN COc1cccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)c1 ZINC000040513541 183088315 /nfs/dbraw/zinc/08/83/15/183088315.db2.gz FUJARWFWWVLLNV-HNNXBMFYSA-N 0 0 322.311 2.829 50 0 DFAARN CC(C)c1noc(CCCC(=O)NCc2ccccc2F)n1 ZINC000040515712 183088949 /nfs/dbraw/zinc/08/89/49/183088949.db2.gz RDJDJYGPSGHDJO-UHFFFAOYSA-N 0 0 305.353 2.971 50 0 DFAARN CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000040539215 183096291 /nfs/dbraw/zinc/09/62/91/183096291.db2.gz LNLHUCMDOSEPKD-CYBMUJFWSA-N 0 0 310.781 2.691 50 0 DFAARN Cc1noc(CCCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)n1 ZINC000040515981 183089194 /nfs/dbraw/zinc/08/91/94/183089194.db2.gz KJRPNBZGYNRNAD-SECBINFHSA-N 0 0 320.418 2.921 50 0 DFAARN CCCc1cc(C(=O)N(C)Cc2nnc3n2CCC3)sc1C ZINC000040523021 183091297 /nfs/dbraw/zinc/09/12/97/183091297.db2.gz NYKPENOMTGROGB-UHFFFAOYSA-N 0 0 318.446 2.819 50 0 DFAARN Cc1ccsc1CNC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000040525073 183091389 /nfs/dbraw/zinc/09/13/89/183091389.db2.gz ZTJBLYJDDNOOGB-UHFFFAOYSA-N 0 0 316.382 2.943 50 0 DFAARN Cn1cc(NC(=O)CCOc2cccc3c2OC(C)(C)C3)cn1 ZINC000040523073 183091709 /nfs/dbraw/zinc/09/17/09/183091709.db2.gz UVBRBFGEHJSRQV-UHFFFAOYSA-N 0 0 315.373 2.541 50 0 DFAARN Cc1ccc(NC(=O)NC[C@@H](O)COc2ccccc2)c(C)c1 ZINC000040525356 183091889 /nfs/dbraw/zinc/09/18/89/183091889.db2.gz OBECDSKFCNGXPP-OAHLLOKOSA-N 0 0 314.385 2.865 50 0 DFAARN CCC(CC)c1nnc(NC(=O)N[C@H](C)Cn2cccn2)s1 ZINC000040526763 183092679 /nfs/dbraw/zinc/09/26/79/183092679.db2.gz NJFNDSJGLVYOAE-SNVBAGLBSA-N 0 0 322.438 2.848 50 0 DFAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000040526803 183092745 /nfs/dbraw/zinc/09/27/45/183092745.db2.gz ZNFLEJJJMAROJM-TXEJJXNPSA-N 0 0 324.446 2.908 50 0 DFAARN CCOc1ccc(CNC(=O)[C@@H](C)OCC(C)C)cc1OC ZINC000040534889 183094508 /nfs/dbraw/zinc/09/45/08/183094508.db2.gz BZRYSIARAKEIGP-CYBMUJFWSA-N 0 0 309.406 2.771 50 0 DFAARN C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CCCO1 ZINC000040535182 183094633 /nfs/dbraw/zinc/09/46/33/183094633.db2.gz OSCYOHLGSOUPQW-ZWNOBZJWSA-N 0 0 312.207 2.675 50 0 DFAARN COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cn1 ZINC000040653488 183114281 /nfs/dbraw/zinc/11/42/81/183114281.db2.gz PJVJEYKUWOXDCH-UHFFFAOYSA-N 0 0 308.341 2.903 50 0 DFAARN CCN(CC)c1ccc(CNC(=O)c2scnc2C)cn1 ZINC000040541001 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AZOASEBDPCZMOS-UHFFFAOYSA-N 0 0 314.385 2.891 50 0 DFAARN Cn1cc(CCC(=O)N2CCCCC[C@H]2c2ccncc2)cn1 ZINC000055364734 425893300 /nfs/dbraw/zinc/89/33/00/425893300.db2.gz YBBNXMOLTOXHQP-KRWDZBQOSA-N 0 0 312.417 2.892 50 0 DFAARN CC(=O)NCCCCCC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000055408952 425893504 /nfs/dbraw/zinc/89/35/04/425893504.db2.gz YVLGASFFMMFHJP-UHFFFAOYSA-N 0 0 314.389 2.507 50 0 DFAARN CC[C@H](C)N(Cc1cccnc1)C(=O)c1cnn2cc(C)cnc12 ZINC000055415083 425893525 /nfs/dbraw/zinc/89/35/25/425893525.db2.gz BKTXZIXHFIDJJV-AWEZNQCLSA-N 0 0 323.400 2.874 50 0 DFAARN COc1cccc([C@@H](C)NC(=O)CCC(=O)NC2CCCC2)c1 ZINC000055393145 425893640 /nfs/dbraw/zinc/89/36/40/425893640.db2.gz ZZAJTSYFBXWXRM-CYBMUJFWSA-N 0 0 318.417 2.711 50 0 DFAARN CCn1nc(C)c(CN(CCOC)Cc2cccnc2)c1C ZINC000055568841 425894338 /nfs/dbraw/zinc/89/43/38/425894338.db2.gz FQFWUBHIENCTPW-UHFFFAOYSA-N 0 0 302.422 2.563 50 0 DFAARN COc1ccc(C(=O)N(C)C)cc1NCc1c(C)noc1C ZINC000055890662 425895207 /nfs/dbraw/zinc/89/52/07/425895207.db2.gz NPKZROPNJUAYAT-UHFFFAOYSA-N 0 0 303.362 2.614 50 0 DFAARN CCC[C@H](C)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000057414821 425896433 /nfs/dbraw/zinc/89/64/33/425896433.db2.gz ZVBGDKQJEDTWCC-AWEZNQCLSA-N 0 0 323.868 2.767 50 0 DFAARN CCC[C@H](C)NC(=O)CN1CCN(c2ccccc2Cl)CC1 ZINC000057406606 425896486 /nfs/dbraw/zinc/89/64/86/425896486.db2.gz MAJVLEKBPJZLFM-AWEZNQCLSA-N 0 0 323.868 2.767 50 0 DFAARN CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000057829745 425896984 /nfs/dbraw/zinc/89/69/84/425896984.db2.gz QFVJGAPKZCZVBQ-DOMZBBRYSA-N 0 0 306.381 2.604 50 0 DFAARN CC(=O)c1c[nH]c(C(=O)Nc2ccn(Cc3ccccc3)n2)c1 ZINC000057182589 425896196 /nfs/dbraw/zinc/89/61/96/425896196.db2.gz LGECGVBCESAGEW-UHFFFAOYSA-N 0 0 308.341 2.714 50 0 DFAARN C/C(=C/C(=O)NCCC(=O)Nc1ccccn1)c1ccccc1 ZINC000058333094 425897596 /nfs/dbraw/zinc/89/75/96/425897596.db2.gz UANYPLPGJPQQEY-YPKPFQOOSA-N 0 0 309.369 2.630 50 0 DFAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cnns1 ZINC000058307010 425897666 /nfs/dbraw/zinc/89/76/66/425897666.db2.gz LCOPPJXTDISOHM-UHFFFAOYSA-N 0 0 319.777 2.689 50 0 DFAARN O=C(NC1CC1)[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000058225093 425897744 /nfs/dbraw/zinc/89/77/44/425897744.db2.gz BGMMQVHBFKULOX-JTQLQIEISA-N 0 0 313.323 2.595 50 0 DFAARN C[C@H](OCC1CC1)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000058342269 425897790 /nfs/dbraw/zinc/89/77/90/425897790.db2.gz DGQBGRSYRQXNLT-AFAVFJNCSA-N 0 0 321.392 2.977 50 0 DFAARN O=C(CCNC(=O)C1CCCC1)N1CCCc2ccc(F)cc21 ZINC000058394310 425897793 /nfs/dbraw/zinc/89/77/93/425897793.db2.gz RIIRAPFONAIKKB-UHFFFAOYSA-N 0 0 318.392 2.801 50 0 DFAARN CCCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)o1 ZINC000058343316 425897916 /nfs/dbraw/zinc/89/79/16/425897916.db2.gz XIDMASXITIMNQD-UHFFFAOYSA-N 0 0 319.386 2.670 50 0 DFAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cn1 ZINC000058342828 425897944 /nfs/dbraw/zinc/89/79/44/425897944.db2.gz UXRRGGKAKWAZKZ-CQSZACIVSA-N 0 0 300.362 2.798 50 0 DFAARN CN(C(=O)c1ccc(N2CCN(C)CC2)c(F)c1)C1CCCC1 ZINC000058355516 425897979 /nfs/dbraw/zinc/89/79/79/425897979.db2.gz QYQCVTWASZATLV-UHFFFAOYSA-N 0 0 319.424 2.592 50 0 DFAARN Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cn1 ZINC000058342557 425897990 /nfs/dbraw/zinc/89/79/90/425897990.db2.gz ZMCCCCXLQSMTJT-CHWSQXEVSA-N 0 0 320.190 2.925 50 0 DFAARN COc1ccc(C)cc1CN1CCN(Cc2cscn2)CC1 ZINC000058340997 425897862 /nfs/dbraw/zinc/89/78/62/425897862.db2.gz RHFHYFSOYDLRLP-UHFFFAOYSA-N 0 0 317.458 2.778 50 0 DFAARN C[C@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000058341068 425898014 /nfs/dbraw/zinc/89/80/14/425898014.db2.gz HJWOICPPMHVXMC-RYUDHWBXSA-N 0 0 319.792 2.775 50 0 DFAARN Cc1nc(-c2c[nH]c(C(=O)N(C)C[C@@H]3CCCO3)c2)cs1 ZINC000058963970 425898468 /nfs/dbraw/zinc/89/84/68/425898468.db2.gz WYPPKRSJLBKYAS-LBPRGKRZSA-N 0 0 305.403 2.698 50 0 DFAARN C[C@@H](NC(N)=O)C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000063691904 425900913 /nfs/dbraw/zinc/90/09/13/425900913.db2.gz NYTKHVSFKXQXSF-CYBMUJFWSA-N 0 0 323.396 2.512 50 0 DFAARN CC[C@H](CO)N(Cc1ccccn1)Cc1cnc2ccccc2n1 ZINC000063855489 425901340 /nfs/dbraw/zinc/90/13/40/425901340.db2.gz OOMMZGUXHWSJSY-QGZVFWFLSA-N 0 0 322.412 2.798 50 0 DFAARN COc1ccc(O)c(C(=O)N(C)[C@H](C)Cc2cc(C)ccn2)c1 ZINC000063832633 425901351 /nfs/dbraw/zinc/90/13/51/425901351.db2.gz PPBYEPWQIPUFEJ-CYBMUJFWSA-N 0 0 314.385 2.807 50 0 DFAARN CCN1CCN(C(=O)Nc2ccc(OC)cc2)c2cccnc21 ZINC000064929415 425902152 /nfs/dbraw/zinc/90/21/52/425902152.db2.gz QTRRWCVHTFQUOZ-UHFFFAOYSA-N 0 0 312.373 2.969 50 0 DFAARN COc1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000064799476 425902163 /nfs/dbraw/zinc/90/21/63/425902163.db2.gz MJFOURABGNJHQB-UHFFFAOYSA-N 0 0 324.340 2.712 50 0 DFAARN Cc1nc(Cn2cccc2C(=O)Nc2cccc(F)c2)no1 ZINC000065136949 425902294 /nfs/dbraw/zinc/90/22/94/425902294.db2.gz UNQMZUAZOJERBJ-UHFFFAOYSA-N 0 0 300.293 2.619 50 0 DFAARN Nc1c(-c2ccncc2)nsc1C(=O)NCc1cccs1 ZINC000065150057 425902314 /nfs/dbraw/zinc/90/23/14/425902314.db2.gz RMHOJIZSRNGJQM-UHFFFAOYSA-N 0 0 316.411 2.779 50 0 DFAARN Cc1cccc(NC(=O)Nc2nnc3cccc(Cl)n32)c1 ZINC000065314617 425902656 /nfs/dbraw/zinc/90/26/56/425902656.db2.gz UEAFJQAGROCFGO-UHFFFAOYSA-N 0 0 301.737 3.335 50 0 DFAARN CCS[C@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000066270566 425903491 /nfs/dbraw/zinc/90/34/91/425903491.db2.gz LNNWTLVAIWKMEI-ZDUSSCGKSA-N 0 0 315.460 2.806 50 0 DFAARN Cc1ccc(Nc2cc(C)n3c(nn(CC(C)C)c3=O)n2)cc1 ZINC000065308153 425902768 /nfs/dbraw/zinc/90/27/68/425902768.db2.gz GIHDXOBCMWJDML-UHFFFAOYSA-N 0 0 311.389 2.907 50 0 DFAARN C/C(=C\c1ccco1)CN1CCN(c2ccc(Cl)nn2)CC1 ZINC000065436197 425902774 /nfs/dbraw/zinc/90/27/74/425902774.db2.gz OBOPOFXRBFKWFO-ACCUITESSA-N 0 0 318.808 2.949 50 0 DFAARN Cc1ccccc1N1CCN(Cc2ccc(CO)o2)[C@H](C)C1 ZINC000065495396 425902878 /nfs/dbraw/zinc/90/28/78/425902878.db2.gz GVXQZOZYJDGCAB-OAHLLOKOSA-N 0 0 300.402 2.791 50 0 DFAARN COC[C@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000065591815 425903065 /nfs/dbraw/zinc/90/30/65/425903065.db2.gz HREGVIDQHCKYSM-ZDUSSCGKSA-N 0 0 306.410 2.571 50 0 DFAARN COCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066708100 425905914 /nfs/dbraw/zinc/90/59/14/425905914.db2.gz GGTPYCCNOZTULO-CYBMUJFWSA-N 0 0 318.200 2.930 50 0 DFAARN COc1ccccc1C[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000066742628 425906257 /nfs/dbraw/zinc/90/62/57/425906257.db2.gz ZEJSYFQTVWPMFL-RHSMWYFYSA-N 0 0 303.402 2.655 50 0 DFAARN Cc1nc(C(=O)NCc2cccnc2N2CCCCC2)cs1 ZINC000066338376 425903771 /nfs/dbraw/zinc/90/37/71/425903771.db2.gz UPPAJKQSXSUZNM-UHFFFAOYSA-N 0 0 316.430 2.767 50 0 DFAARN CC(C)n1cc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 ZINC000066385989 425904079 /nfs/dbraw/zinc/90/40/79/425904079.db2.gz LOWMYGOVIBYBJL-CYBMUJFWSA-N 0 0 320.437 2.687 50 0 DFAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)[C@H]1CCCO1 ZINC000066445161 425904291 /nfs/dbraw/zinc/90/42/91/425904291.db2.gz ADYRXCCBHKDQPG-UONOGXRCSA-N 0 0 301.346 2.532 50 0 DFAARN C[C@@H](CCCC(C)(C)O)Nc1ccc(-c2nccn2C)nn1 ZINC000067490638 425910979 /nfs/dbraw/zinc/91/09/79/425910979.db2.gz NKGLMDWFKHFNPT-LBPRGKRZSA-N 0 0 303.410 2.619 50 0 DFAARN CCCc1cc(N2CCC3(CC2)CCNC(=O)CC3)nc(C)n1 ZINC000067514627 425911218 /nfs/dbraw/zinc/91/12/18/425911218.db2.gz VHXWGFLPFIUZJI-UHFFFAOYSA-N 0 0 316.449 2.624 50 0 DFAARN Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc(F)c1C ZINC000067264032 425909619 /nfs/dbraw/zinc/90/96/19/425909619.db2.gz VYSDAAKRTYDNEP-UHFFFAOYSA-N 0 0 302.353 2.696 50 0 DFAARN COc1cccc2cc(C(=O)Nc3ccccc3O)c(=N)oc21 ZINC000067350777 425910022 /nfs/dbraw/zinc/91/00/22/425910022.db2.gz CISJEQKBBBNFMQ-UHFFFAOYSA-N 0 0 310.309 2.879 50 0 DFAARN CCc1c(C)scc1C(=O)N1CCC[C@@H](CNC(C)=O)C1 ZINC000067447372 425910491 /nfs/dbraw/zinc/91/04/91/425910491.db2.gz OONMMFKNSIFCBY-ZDUSSCGKSA-N 0 0 308.447 2.607 50 0 DFAARN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)C3([NH3+])CC3)C2)cc1 ZINC000067446967 425910497 /nfs/dbraw/zinc/91/04/97/425910497.db2.gz QRVLQHJMUISVFM-OAHLLOKOSA-N 0 0 324.428 2.582 50 0 DFAARN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCC1CCCC1 ZINC000067555887 425911375 /nfs/dbraw/zinc/91/13/75/425911375.db2.gz DYSMFNPBQJTGRQ-UHFFFAOYSA-N 0 0 322.380 2.858 50 0 DFAARN CC(=O)c1cccc(NC(=O)c2cc3c([nH]c2=O)CC[C@@H](C)C3)c1 ZINC000067631138 425912013 /nfs/dbraw/zinc/91/20/13/425912013.db2.gz XRNIDZDVESMAEH-LLVKDONJSA-N 0 0 324.380 2.955 50 0 DFAARN CC(C)c1cc(C2CCN(C(=O)c3ccnc(N)c3)CC2)[nH]n1 ZINC000067675416 425912430 /nfs/dbraw/zinc/91/24/30/425912430.db2.gz KJHQTMIQASQHDJ-UHFFFAOYSA-N 0 0 313.405 2.530 50 0 DFAARN COc1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cn1 ZINC000067713326 425912510 /nfs/dbraw/zinc/91/25/10/425912510.db2.gz MTVHSPWAKJIEPM-UHFFFAOYSA-N 0 0 300.337 2.738 50 0 DFAARN Cn1ccnc1-c1ccc(NCCn2ccc3ccccc32)nn1 ZINC000067714090 425912774 /nfs/dbraw/zinc/91/27/74/425912774.db2.gz GYRHAGUZXVJAQO-UHFFFAOYSA-N 0 0 318.384 2.944 50 0 DFAARN Cc1cccc2[nH]c(CCNC(=O)c3cc(C(C)C)on3)nc21 ZINC000067804149 425913175 /nfs/dbraw/zinc/91/31/75/425913175.db2.gz KBFAMNLYYGRRCM-UHFFFAOYSA-N 0 0 312.373 2.955 50 0 DFAARN CSc1ccc2cc(CN(C)Cc3ccno3)c(=O)[nH]c2c1 ZINC000067805544 425913186 /nfs/dbraw/zinc/91/31/86/425913186.db2.gz LBUGGUBYDIGSOC-UHFFFAOYSA-N 0 0 315.398 2.870 50 0 DFAARN CC[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccnn1C ZINC000067803804 425913266 /nfs/dbraw/zinc/91/32/66/425913266.db2.gz YZASGLMJPKLHNT-CYBMUJFWSA-N 0 0 310.357 2.956 50 0 DFAARN CC(C)c1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)[nH]n1 ZINC000067804033 425913304 /nfs/dbraw/zinc/91/33/04/425913304.db2.gz TWFLJTBKLOHGMP-KRWDZBQOSA-N 0 0 312.417 2.662 50 0 DFAARN COCc1cc(C(=O)Nc2cnc3n2CCCC3)ccc1OC ZINC000067785299 425913380 /nfs/dbraw/zinc/91/33/80/425913380.db2.gz GOILQAXFXZBMRF-UHFFFAOYSA-N 0 0 315.373 2.627 50 0 DFAARN O=C(c1cc[nH]n1)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000067804009 425913427 /nfs/dbraw/zinc/91/34/27/425913427.db2.gz APYYWPPGTTYPLB-AWEZNQCLSA-N 0 0 321.384 2.820 50 0 DFAARN CC(C)C1=NO[C@H](CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000067878476 425914382 /nfs/dbraw/zinc/91/43/82/425914382.db2.gz PMKIJBMNKYMJIH-ZDUSSCGKSA-N 0 0 318.421 2.988 50 0 DFAARN C[C@H](CNC(=O)c1[nH]nc2ccccc21)N(C)c1ccccc1 ZINC000067920268 425914762 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DFAARN CCOC(=O)c1cc(NC(=O)C=C(C)C)cc(C(=O)OCC)c1 ZINC000033029072 425841246 /nfs/dbraw/zinc/84/12/46/425841246.db2.gz BPKVZKRFNDOBOE-UHFFFAOYSA-N 0 0 319.357 2.945 50 0 DFAARN Cc1ccc(S(=O)(=O)N2CCN(C)c3ccccc32)cc1C ZINC000033127034 425841257 /nfs/dbraw/zinc/84/12/57/425841257.db2.gz JQHGQFXVXNOWDV-UHFFFAOYSA-N 0 0 316.426 2.949 50 0 DFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)no1 ZINC000033086428 425841270 /nfs/dbraw/zinc/84/12/70/425841270.db2.gz HBEQHSMBAWHHMK-UHFFFAOYSA-N 0 0 321.402 2.528 50 0 DFAARN COc1cccc(NC(=O)c2sc3[nH]cnc(=O)c3c2C)c1 ZINC000033073342 425841371 /nfs/dbraw/zinc/84/13/71/425841371.db2.gz HERMPRYUMZSHFQ-UHFFFAOYSA-N 0 0 315.354 2.554 50 0 DFAARN Cc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000033077134 425841492 /nfs/dbraw/zinc/84/14/92/425841492.db2.gz SDWCOLJZWHAHQV-UHFFFAOYSA-N 0 0 314.366 2.637 50 0 DFAARN CCn1c2ccccc2n(CC(=O)N[C@H]2CCC[C@H](C)C2)c1=O ZINC000033184343 425841594 /nfs/dbraw/zinc/84/15/94/425841594.db2.gz ASAMTEOHPBSZBS-KBPBESRZSA-N 0 0 315.417 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CC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)n(CC)n1 ZINC000034901553 425842855 /nfs/dbraw/zinc/84/28/55/425842855.db2.gz FXULUYPQFIEZET-LLVKDONJSA-N 0 0 315.373 2.827 50 0 DFAARN Cc1nnc2ccc(C(=O)NCc3ccc(Cl)cc3)cn12 ZINC000035219921 425843618 /nfs/dbraw/zinc/84/36/18/425843618.db2.gz VJKOLFOFVHLFQQ-UHFFFAOYSA-N 0 0 300.749 2.621 50 0 DFAARN O=C([O-])[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000035296552 425844084 /nfs/dbraw/zinc/84/40/84/425844084.db2.gz LZFPWGWDVUCFMU-VIFPVBQESA-N 0 0 316.170 2.885 50 0 DFAARN COC(=O)c1cc2ccsc2n1CC(=O)NC1CCCCC1 ZINC000035397131 425844379 /nfs/dbraw/zinc/84/43/79/425844379.db2.gz QDGGRJRECGCOQS-UHFFFAOYSA-N 0 0 320.414 2.938 50 0 DFAARN COc1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000035571618 425844466 /nfs/dbraw/zinc/84/44/66/425844466.db2.gz FKVKCCHRMVALFZ-HUUCEWRRSA-N 0 0 307.390 2.781 50 0 DFAARN Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 ZINC000035587895 425844500 /nfs/dbraw/zinc/84/45/00/425844500.db2.gz IKNLVOIXKICSKU-UHFFFAOYSA-N 0 0 319.372 2.509 50 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50 0 DFAARN NC(=O)c1ccc(NC(=O)c2cc(F)ccc2-n2cccc2)cc1 ZINC000036353816 425845698 /nfs/dbraw/zinc/84/56/98/425845698.db2.gz GGOYWQMCWPDOKS-UHFFFAOYSA-N 0 0 323.327 2.968 50 0 DFAARN Cc1csc(N(C)C(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000036396743 425845715 /nfs/dbraw/zinc/84/57/15/425845715.db2.gz PATUEZQPOKTGAX-UHFFFAOYSA-N 0 0 312.398 2.973 50 0 DFAARN Fc1ccc(F)c(-c2nnc3sc(-c4csnn4)nn32)c1 ZINC000036353623 425845797 /nfs/dbraw/zinc/84/57/97/425845797.db2.gz WKAHVDNQHXMIPV-UHFFFAOYSA-N 0 0 322.325 2.650 50 0 DFAARN Cc1nn(C)c(C)c1-c1nn2c(nnc2-c2cccs2)s1 ZINC000036360556 425845870 /nfs/dbraw/zinc/84/58/70/425845870.db2.gz ZMBWWKJTYDFZCV-UHFFFAOYSA-N 0 0 316.415 2.932 50 0 DFAARN Cn1ccc2c1cccc2C(=O)N1CCN(c2ccccn2)CC1 ZINC000036360489 425845878 /nfs/dbraw/zinc/84/58/78/425845878.db2.gz SDVUXSXTMZQITO-UHFFFAOYSA-N 0 0 320.396 2.536 50 0 DFAARN Cc1ccc(NC(=O)C(=O)c2cnn(C(C)(C)C)c2)cc1F ZINC000036392387 425845890 /nfs/dbraw/zinc/84/58/90/425845890.db2.gz UTCXTXMOPHTGMX-UHFFFAOYSA-N 0 0 303.337 2.907 50 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/nfs/dbraw/zinc/86/77/74/425867774.db2.gz NWTMTBKQVHFWLM-STQMWFEESA-N 0 0 304.419 2.880 50 0 DFAARN CC[C@@H]1CCCCN1C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000047131004 425868208 /nfs/dbraw/zinc/86/82/08/425868208.db2.gz QFLSGTYZXLIYKQ-CYBMUJFWSA-N 0 0 320.389 2.768 50 0 DFAARN CCC(=O)Nc1ccc([C@@H](C)NC(=O)C[C@@H]2CCCO2)cc1 ZINC000047107839 425868301 /nfs/dbraw/zinc/86/83/01/425868301.db2.gz ONVLPEYFPIROPC-DOMZBBRYSA-N 0 0 304.390 2.781 50 0 DFAARN NC(=O)CN(C(=O)Cc1cccc2ccccc21)C1CCCC1 ZINC000047236115 425868779 /nfs/dbraw/zinc/86/87/79/425868779.db2.gz SPNAXYGFVUVZGB-UHFFFAOYSA-N 0 0 310.397 2.639 50 0 DFAARN NC(=O)CN(C(=O)/C=C/c1cccc(Cl)c1)C1CCCC1 ZINC000047236179 425868808 /nfs/dbraw/zinc/86/88/08/425868808.db2.gz DLWKUTOWMIKDID-CMDGGOBGSA-N 0 0 306.793 2.610 50 0 DFAARN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CC(C)C)C2)n1 ZINC000047291573 425868935 /nfs/dbraw/zinc/86/89/35/425868935.db2.gz XPRJYRHPZAILJY-AWEZNQCLSA-N 0 0 303.406 2.613 50 0 DFAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1Cl 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CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccccn1 ZINC000095946554 426376330 /nfs/dbraw/zinc/37/63/30/426376330.db2.gz WGZYOWRQPKYTCU-INIZCTEOSA-N 0 0 309.369 2.556 50 0 DFAARN Cc1n[nH]c(C)c1NC(=O)Nc1cccc(OCC(F)F)n1 ZINC000095943380 426376349 /nfs/dbraw/zinc/37/63/49/426376349.db2.gz MYQDNMYFVMPKHE-UHFFFAOYSA-N 0 0 311.292 2.709 50 0 DFAARN CN(Cc1cccc(F)c1)C(=O)[C@H]1CCCN1c1nccs1 ZINC000095949141 426376484 /nfs/dbraw/zinc/37/64/84/426376484.db2.gz VCRCPVXNGNNWCB-CQSZACIVSA-N 0 0 319.405 2.910 50 0 DFAARN COCCOC1CCN(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000095960069 426376914 /nfs/dbraw/zinc/37/69/14/426376914.db2.gz YWWWNDDNLVMANB-SQWLQELKSA-N 0 0 312.454 2.648 50 0 DFAARN CC(=O)Nc1nc(C(=O)NC[C@H](C)c2ccc(C)cc2)cs1 ZINC000095960635 426376925 /nfs/dbraw/zinc/37/69/25/426376925.db2.gz ZADQQOZFGVOGPY-NSHDSACASA-N 0 0 317.414 2.943 50 0 DFAARN CC(=O)Nc1nc(C(=O)NC[C@@H](C)c2ccc(C)cc2)cs1 ZINC000095960636 426376945 /nfs/dbraw/zinc/37/69/45/426376945.db2.gz ZADQQOZFGVOGPY-LLVKDONJSA-N 0 0 317.414 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324.380 2.504 50 0 DFAARN O=C(C[C@@H]1COCCN1C(=O)c1ccsc1)c1ccccc1 ZINC000095965343 426378241 /nfs/dbraw/zinc/37/82/41/426378241.db2.gz BIDPKOWSYSQFTB-OAHLLOKOSA-N 0 0 315.394 2.862 50 0 DFAARN Cc1nc(C)c(CNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)s1 ZINC000095962128 426378285 /nfs/dbraw/zinc/37/82/85/426378285.db2.gz DCKAIRXRFAKMRR-OAHLLOKOSA-N 0 0 316.426 2.997 50 0 DFAARN CCc1nnnn1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000095964977 426378469 /nfs/dbraw/zinc/37/84/69/426378469.db2.gz MCDJBAPXGBXTJY-UHFFFAOYSA-N 0 0 303.753 2.901 50 0 DFAARN OC1(CNc2ccc(Br)cn2)CCSCC1 ZINC000095964185 426378508 /nfs/dbraw/zinc/37/85/08/426378508.db2.gz ATWWCVHHBRTKDU-UHFFFAOYSA-N 0 0 303.225 2.514 50 0 DFAARN C[C@H]1CCO[C@@H]1C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000095971254 426379363 /nfs/dbraw/zinc/37/93/63/426379363.db2.gz NISJPHNDJNUSHK-ZBEGNZNMSA-N 0 0 322.368 2.988 50 0 DFAARN C[C@H](O)CCN(C)C(=O)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000095971261 426379489 /nfs/dbraw/zinc/37/94/89/426379489.db2.gz 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310.332 2.897 50 0 DFAARN CCc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)s1 ZINC000230067219 201860028 /nfs/dbraw/zinc/86/00/28/201860028.db2.gz UCIIXLTZISPICU-OLZOCXBDSA-N 0 0 315.460 2.643 50 0 DFAARN O=S(=O)(c1ccc(Cl)s1)N1CCO[C@H]2CCCC[C@H]21 ZINC000230067235 201860140 /nfs/dbraw/zinc/86/01/40/201860140.db2.gz YHMLDSPAMJCDCB-ZJUUUORDSA-N 0 0 321.851 2.734 50 0 DFAARN CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccnn1C ZINC000067974085 190740964 /nfs/dbraw/zinc/74/09/64/190740964.db2.gz TXFCGTTYXDFIDE-CQSZACIVSA-N 0 0 309.373 2.691 50 0 DFAARN Cc1oc(-c2ccccc2)nc1CN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000230183504 201870546 /nfs/dbraw/zinc/87/05/46/201870546.db2.gz ICDLKTYSUIOFNY-BWFKNJDFSA-N 0 0 318.442 2.991 50 0 DFAARN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC(Nc3ccccc3)CC2)cn1 ZINC000068432944 190768236 /nfs/dbraw/zinc/76/82/36/190768236.db2.gz UALRGABAHRAABI-ROUUACIJSA-N 0 0 324.428 2.627 50 0 DFAARN CCc1nn(C)cc1NC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000091198150 398518250 /nfs/dbraw/zinc/51/82/50/398518250.db2.gz 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CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1cnc2ccccc2n1 ZINC000069948293 190841196 /nfs/dbraw/zinc/84/11/96/190841196.db2.gz MXRYPMLKDSRBGB-SJORKVTESA-N 0 0 310.401 2.610 50 0 DFAARN CN(C[C@@H]1CCc2nccn2C1)C(=O)c1ccc2cc[nH]c2c1 ZINC000328616465 398566010 /nfs/dbraw/zinc/56/60/10/398566010.db2.gz BSTZHJZFDWJIPY-ZDUSSCGKSA-N 0 0 308.385 2.699 50 0 DFAARN CCn1cnnc1[C@@H]1CN(Cc2cc3ccccc3o2)CCO1 ZINC000328625149 398566149 /nfs/dbraw/zinc/56/61/49/398566149.db2.gz CUNHZFGNYGHXPX-INIZCTEOSA-N 0 0 312.373 2.618 50 0 DFAARN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ncccc1O ZINC000328617783 398566678 /nfs/dbraw/zinc/56/66/78/398566678.db2.gz DAKFUTSFIKIMLF-LLVKDONJSA-N 0 0 317.414 2.744 50 0 DFAARN Cc1cccn2c(C[N@H+](C)C[C@@H]3CCc4nccn4C3)cnc12 ZINC000328646124 398568312 /nfs/dbraw/zinc/56/83/12/398568312.db2.gz SKAUJKCRFRDWGR-HNNXBMFYSA-N 0 0 309.417 2.534 50 0 DFAARN Cc1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)no1 ZINC000328632122 398567181 /nfs/dbraw/zinc/56/71/81/398567181.db2.gz RPKYDGIBHRTFGY-NSHDSACASA-N 0 0 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KMGUZMOTYRSITO-NSHDSACASA-N 0 0 315.402 2.921 50 0 DFAARN O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000070874448 190921517 /nfs/dbraw/zinc/92/15/17/190921517.db2.gz FMOSELHQVXLVIN-IAGOWNOFSA-N 0 0 303.402 2.766 50 0 DFAARN O=C(NCC1CCN(c2cnccn2)CC1)Nc1ccccc1 ZINC000070930691 190925177 /nfs/dbraw/zinc/92/51/77/190925177.db2.gz AHQAOWVKELHXHY-UHFFFAOYSA-N 0 0 311.389 2.515 50 0 DFAARN CCn1nc(C)c(CCC(=O)NCc2ccccc2F)c1C ZINC000071195398 190939981 /nfs/dbraw/zinc/93/99/81/190939981.db2.gz PAEDRROXHFBOHM-UHFFFAOYSA-N 0 0 303.381 2.908 50 0 DFAARN O=C(NCCCn1ncc2c1cccc2Cl)c1cccnc1 ZINC000071196088 190941227 /nfs/dbraw/zinc/94/12/27/190941227.db2.gz LIFDIEJBBRTHOK-UHFFFAOYSA-N 0 0 314.776 2.905 50 0 DFAARN Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccncc3)c12 ZINC000071279769 190951016 /nfs/dbraw/zinc/95/10/16/190951016.db2.gz QISJRCPAYIHWMV-UHFFFAOYSA-N 0 0 310.357 2.980 50 0 DFAARN CCc1cc(NC(=O)N(C)Cc2ncc(CC)s2)n(C)n1 ZINC000083820361 192385401 /nfs/dbraw/zinc/38/54/01/192385401.db2.gz 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/nfs/dbraw/zinc/02/04/15/191020415.db2.gz HEWOAHKLOGTKTF-CYBMUJFWSA-N 0 0 307.390 2.765 50 0 DFAARN CCc1nc(C)sc1C(=O)N(C)Cc1noc(C2CCC2)n1 ZINC000071748135 191021246 /nfs/dbraw/zinc/02/12/46/191021246.db2.gz ODNJPGGKNPHOPT-UHFFFAOYSA-N 0 0 320.418 2.937 50 0 DFAARN CCc1cc(-c2nccn2Cc2ccccc2-n2cncn2)on1 ZINC000071749091 191022133 /nfs/dbraw/zinc/02/21/33/191022133.db2.gz IOXVMEDLDVXQKA-UHFFFAOYSA-N 0 0 320.356 2.730 50 0 DFAARN CCc1nnsc1C(=O)N1CCC[C@H]1c1c(C)noc1C ZINC000071753772 191023471 /nfs/dbraw/zinc/02/34/71/191023471.db2.gz XIFMAOYALPBSSA-NSHDSACASA-N 0 0 306.391 2.683 50 0 DFAARN c1cnn(CC2(c3nn4c(nnc4C4CCCC4)s3)CC2)c1 ZINC000071760659 191025826 /nfs/dbraw/zinc/02/58/26/191025826.db2.gz HPRAZIUOZNFRMM-UHFFFAOYSA-N 0 0 314.418 2.772 50 0 DFAARN CCc1nnsc1C(=O)N(C)CCn1ccc2ccccc21 ZINC000071761076 191026826 /nfs/dbraw/zinc/02/68/26/191026826.db2.gz UUDMQPPSGDSNTP-UHFFFAOYSA-N 0 0 314.414 2.827 50 0 DFAARN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000071854093 191032101 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Clc1ccccc1-c1ncnn1CN1CCO[C@H]2CCC[C@@H]21 ZINC000071824006 425992566 /nfs/dbraw/zinc/99/25/66/425992566.db2.gz NOPPVDSVFNPCPH-GJZGRUSLSA-N 0 0 318.808 2.809 50 0 DFAARN O=C(CC(C1CC1)C1CC1)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000071830983 425993431 /nfs/dbraw/zinc/99/34/31/425993431.db2.gz DLRJMLONQBIIFU-INIZCTEOSA-N 0 0 300.402 2.695 50 0 DFAARN Cc1nc(C2(NCc3noc(C(C)C)n3)CCCCC2)no1 ZINC000071833195 425993592 /nfs/dbraw/zinc/99/35/92/425993592.db2.gz STXQPWYPFQKTMU-UHFFFAOYSA-N 0 0 305.382 2.834 50 0 DFAARN CN(C(=O)c1ccnc(-n2cncn2)c1)C1CCCCCCC1 ZINC000071849966 425994024 /nfs/dbraw/zinc/99/40/24/425994024.db2.gz UYNCBUZREANUTK-UHFFFAOYSA-N 0 0 313.405 2.847 50 0 DFAARN O=C([C@@H]1C[C@@H]1c1ccco1)N1CCCN(c2nccs2)CC1 ZINC000071836548 425994104 /nfs/dbraw/zinc/99/41/04/425994104.db2.gz FNUAXGBXHMZECH-QWHCGFSZSA-N 0 0 317.414 2.579 50 0 DFAARN O=C(N1CCNC(=O)CC1)C1(c2cccc(Cl)c2)CCCC1 ZINC000071839528 425994480 /nfs/dbraw/zinc/99/44/80/425994480.db2.gz AGHJZGALSROWCA-UHFFFAOYSA-N 0 0 320.820 2.500 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/nfs/dbraw/zinc/99/80/56/425998056.db2.gz DPIFBOIQCDZCQF-GJZGRUSLSA-N 0 0 305.422 2.660 50 0 DFAARN Cc1cc(C)cc([C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)c1 ZINC000071884455 425998850 /nfs/dbraw/zinc/99/88/50/425998850.db2.gz BTUVVQLMZAWKRI-AWEZNQCLSA-N 0 0 313.401 2.505 50 0 DFAARN COCCN(Cc1ccc(F)cc1Cl)C(=O)NC1CC1 ZINC000071884005 425999221 /nfs/dbraw/zinc/99/92/21/425999221.db2.gz ROAHJVGZKLOFBM-UHFFFAOYSA-N 0 0 300.761 2.800 50 0 DFAARN O=C(NC1CCSCC1)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000071882749 425999230 /nfs/dbraw/zinc/99/92/30/425999230.db2.gz BUOXQODPADBSGU-ZDUSSCGKSA-N 0 0 324.490 2.570 50 0 DFAARN O=C(Nc1nc(Sc2ccccc2)ns1)c1cnccn1 ZINC000071890919 425999455 /nfs/dbraw/zinc/99/94/55/425999455.db2.gz MSGWEIRPRSGTTK-UHFFFAOYSA-N 0 0 315.383 2.732 50 0 DFAARN CC(C)c1ocnc1C(=O)NCCCn1cnc2ccccc21 ZINC000071893355 425999846 /nfs/dbraw/zinc/99/98/46/425999846.db2.gz SZHFNSWBMBTYGD-UHFFFAOYSA-N 0 0 312.373 2.968 50 0 DFAARN NC(=O)N1CCC(N=Nc2ccccc2C(F)(F)F)CC1 ZINC000071889254 425999928 /nfs/dbraw/zinc/99/99/28/425999928.db2.gz GNUGLTZZOJUTDN-UHFFFAOYSA-N 0 0 300.284 2.648 50 0 DFAARN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccno1 ZINC000071893084 425999983 /nfs/dbraw/zinc/99/99/83/425999983.db2.gz YAMPLFUBTRLXIP-TZMCWYRMSA-N 0 0 309.410 2.942 50 0 DFAARN CC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000071900488 426000643 /nfs/dbraw/zinc/00/06/43/426000643.db2.gz GYTLJJOCZDCNTO-LLVKDONJSA-N 0 0 311.223 2.674 50 0 DFAARN CCCc1cc(NC(=O)COc2cccc(C(C)=O)c2)n[nH]1 ZINC000071896433 426000681 /nfs/dbraw/zinc/00/06/81/426000681.db2.gz PKPQTVZILVTKRH-UHFFFAOYSA-N 0 0 301.346 2.582 50 0 DFAARN CC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000071900487 426000856 /nfs/dbraw/zinc/00/08/56/426000856.db2.gz GYTLJJOCZDCNTO-NSHDSACASA-N 0 0 311.223 2.674 50 0 DFAARN CCS[C@@H]1CCCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000071899423 426001007 /nfs/dbraw/zinc/00/10/07/426001007.db2.gz QYQXKYQCMVQATA-GFCCVEGCSA-N 0 0 304.419 2.706 50 0 DFAARN O=C(c1ccccc1NCc1ccccc1)N1CCC[C@H](O)C1 ZINC000071896896 426001069 /nfs/dbraw/zinc/00/10/69/426001069.db2.gz VHDRENKHMTVETE-INIZCTEOSA-N 0 0 310.397 2.896 50 0 DFAARN Cc1ccccc1-n1nccc1NC(=O)CCCn1cccn1 ZINC000071904509 426001828 /nfs/dbraw/zinc/00/18/28/426001828.db2.gz KVDOBERDVBGTSF-UHFFFAOYSA-N 0 0 309.373 2.796 50 0 DFAARN O=C(COC[C@@H]1CCCO1)Nc1cc(-c2ccccc2F)no1 ZINC000071900747 426001870 /nfs/dbraw/zinc/00/18/70/426001870.db2.gz URBBKQKXLVPAND-NSHDSACASA-N 0 0 320.320 2.615 50 0 DFAARN Cc1cccc([C@@H](C)NC(=O)N[C@H](C)Cn2ccnc2)c1C ZINC000071909188 426002911 /nfs/dbraw/zinc/00/29/11/426002911.db2.gz SPJRZZKHHBQWBK-UKRRQHHQSA-N 0 0 300.406 2.949 50 0 DFAARN CC(=O)NCCCN(C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000071910407 426003265 /nfs/dbraw/zinc/00/32/65/426003265.db2.gz GSHQAMVTMFRQIQ-UHFFFAOYSA-N 0 0 318.348 2.684 50 0 DFAARN CCS(=O)(=O)CCSc1nc2cc(Cl)ccc2n1C ZINC000071910968 426003394 /nfs/dbraw/zinc/00/33/94/426003394.db2.gz FGDMAVLFKQGVQU-UHFFFAOYSA-N 0 0 318.851 2.754 50 0 DFAARN CCc1ccc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)o1 ZINC000071908177 426003397 /nfs/dbraw/zinc/00/33/97/426003397.db2.gz FAYDNAKTOIPJFF-AWEZNQCLSA-N 0 0 313.401 2.756 50 0 DFAARN CCc1nnc(S[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[nH]1 ZINC000071916022 426004071 /nfs/dbraw/zinc/00/40/71/426004071.db2.gz BROFEMYRIIXLSK-NSHDSACASA-N 0 0 322.821 2.918 50 0 DFAARN Cc1occc1C(=O)NCC(=O)N[C@H](CC(C)C)C(C)(C)C ZINC000071915904 426004406 /nfs/dbraw/zinc/00/44/06/426004406.db2.gz DRECHNYDOQOHKN-CQSZACIVSA-N 0 0 308.422 2.895 50 0 DFAARN CN(C(=O)C1CCC1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000069437611 425939573 /nfs/dbraw/zinc/93/95/73/425939573.db2.gz ACWMFABFVUGGRZ-UHFFFAOYSA-N 0 0 324.428 2.857 50 0 DFAARN Cc1c(C(=O)Nc2nc3ccccc3n2C(C)(C)C)cnn1C ZINC000069419599 425939982 /nfs/dbraw/zinc/93/99/82/425939982.db2.gz HNQCOFYVVOLBII-UHFFFAOYSA-N 0 0 311.389 3.086 50 0 DFAARN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)n3ccnc3)co2)cc1 ZINC000069442709 425940004 /nfs/dbraw/zinc/94/00/04/425940004.db2.gz BHEFYLRJILHIFK-AWEZNQCLSA-N 0 0 324.384 2.766 50 0 DFAARN Cc1nnc2n1CCN(Cc1coc(-c3ccc(C)cc3)n1)C2 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/nfs/dbraw/zinc/36/69/79/426366979.db2.gz SQXXTGAMCZNKTP-UHFFFAOYSA-N 0 0 310.357 2.660 50 0 DFAARN CCc1cc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)N(C)C)on1 ZINC000095353275 426367018 /nfs/dbraw/zinc/36/70/18/426367018.db2.gz VKJUSEGRYONAPQ-MRXNPFEDSA-N 0 0 319.380 2.637 50 0 DFAARN COCc1ccc(C(=O)NC[C@@H]2CCOc3ccccc3C2)o1 ZINC000095361879 426368361 /nfs/dbraw/zinc/36/83/61/426368361.db2.gz CHQDTPPYQJXPSH-CYBMUJFWSA-N 0 0 315.369 2.797 50 0 DFAARN COCc1cc(N[C@H](c2nccn2C)c2ccccc2)ncn1 ZINC000095362321 426368375 /nfs/dbraw/zinc/36/83/75/426368375.db2.gz XDMMDURHAYNZHQ-INIZCTEOSA-N 0 0 309.373 2.558 50 0 DFAARN COc1ccc2c(c1)CCN(C(=O)c1ccn(C(F)F)n1)CC2 ZINC000095368637 426368605 /nfs/dbraw/zinc/36/86/05/426368605.db2.gz ROZSHICBESPACW-UHFFFAOYSA-N 0 0 321.327 2.528 50 0 DFAARN CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1 ZINC000095361693 426368702 /nfs/dbraw/zinc/36/87/02/426368702.db2.gz KXHDUZWZHYFLFW-HNNXBMFYSA-N 0 0 314.433 2.992 50 0 DFAARN Cc1ccc([C@H](C)Cc2cn(Cc3nnc4ccccn43)nn2)o1 ZINC000095369600 426368952 /nfs/dbraw/zinc/36/89/52/426368952.db2.gz WFWGYDXPJIIRQV-GFCCVEGCSA-N 0 0 322.372 2.617 50 0 DFAARN COc1cc(SC)c(OC)cc1CN1CCc2nc[nH]c2C1 ZINC000095373165 426369044 /nfs/dbraw/zinc/36/90/44/426369044.db2.gz OFRHHCUQYIIUAZ-UHFFFAOYSA-N 0 0 319.430 2.707 50 0 DFAARN CCN(CC(F)(F)F)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000095377478 426369708 /nfs/dbraw/zinc/36/97/08/426369708.db2.gz DYWUNEHMOFSPEG-LBPRGKRZSA-N 0 0 300.280 2.915 50 0 DFAARN Cc1cc(C)c2c(ncnc2NCCc2nc(C(C)C)no2)n1 ZINC000095378126 426369748 /nfs/dbraw/zinc/36/97/48/426369748.db2.gz ADMRHPPPXCOFPE-UHFFFAOYSA-N 0 0 312.377 2.803 50 0 DFAARN CC(C)(C)NC(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 ZINC000095377646 426369777 /nfs/dbraw/zinc/36/97/77/426369777.db2.gz RPGKNNNPTOYOLM-OAHLLOKOSA-N 0 0 317.385 2.883 50 0 DFAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000095381429 426370895 /nfs/dbraw/zinc/37/08/95/426370895.db2.gz AHDOXQZXIWHGKZ-CYBMUJFWSA-N 0 0 302.378 2.691 50 0 DFAARN CCCN1CCC[C@@]2(CCN(c3ccc(Cl)cn3)C2)C1=O ZINC000095384302 426370905 /nfs/dbraw/zinc/37/09/05/426370905.db2.gz IODLNGKAOHEACA-INIZCTEOSA-N 0 0 307.825 2.964 50 0 DFAARN Cn1cnnc1-c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC000095381733 426370988 /nfs/dbraw/zinc/37/09/88/426370988.db2.gz ZCVWIXDQWXDALR-ZIAGYGMSSA-N 0 0 308.341 2.817 50 0 DFAARN CCCCOc1ccc(C)cc1[C@H](C(=O)[O-])[NH+]1CCC(O)CC1 ZINC000095380232 426371213 /nfs/dbraw/zinc/37/12/13/426371213.db2.gz PYBQGMJOEDMFLJ-QGZVFWFLSA-N 0 0 321.417 2.756 50 0 DFAARN Cc1cccc([C@H](C(=O)NCc2cnc(C)cc2C)N(C)C)c1 ZINC000095380994 426371483 /nfs/dbraw/zinc/37/14/83/426371483.db2.gz GYOWOSZDYSFAMF-GOSISDBHSA-N 0 0 311.429 2.926 50 0 DFAARN O=C(NCC1CCSCC1)N[C@H]1CCOC2(CCCC2)C1 ZINC000095426951 426371901 /nfs/dbraw/zinc/37/19/01/426371901.db2.gz FLCHBUNFNPNZJY-AWEZNQCLSA-N 0 0 312.479 2.921 50 0 DFAARN Cc1nc2ncccc2c(NCc2ccc3nsnc3c2)n1 ZINC000095388804 426372011 /nfs/dbraw/zinc/37/20/11/426372011.db2.gz SRZRXDLQBZYZPL-UHFFFAOYSA-N 0 0 308.370 2.950 50 0 DFAARN Cc1cccc(CNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000095426095 426372174 /nfs/dbraw/zinc/37/21/74/426372174.db2.gz BYWXNOCEKSEFND-DOTOQJQBSA-N 0 0 320.458 2.849 50 0 DFAARN COc1ccc(C2=NO[C@@](C)(C(=O)Nc3ccncc3)C2)cc1 ZINC000096192823 426405982 /nfs/dbraw/zinc/40/59/82/426405982.db2.gz YALSAUMDPWOETJ-QGZVFWFLSA-N 0 0 311.341 2.612 50 0 DFAARN CC(C)Oc1ccc(C(=O)OC2CCC3(CC2)OCCO3)cn1 ZINC000095450763 426373898 /nfs/dbraw/zinc/37/38/98/426373898.db2.gz OMGLXQDYBJNNNG-UHFFFAOYSA-N 0 0 321.373 2.711 50 0 DFAARN COc1ccc(C2=NO[C@@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000096192781 426406011 /nfs/dbraw/zinc/40/60/11/426406011.db2.gz AFIMRCWAFQPWPU-QGZVFWFLSA-N 0 0 302.374 2.637 50 0 DFAARN COc1ccc(Cc2noc(CC3(O)CCCC3)n2)cc1OC ZINC000095940664 426374429 /nfs/dbraw/zinc/37/44/29/426374429.db2.gz YHNBZQXMDUGUKQ-UHFFFAOYSA-N 0 0 318.373 2.525 50 0 DFAARN CCOC(=O)c1cccnc1N1CCO[C@H](c2ccc(C)o2)C1 ZINC000095941146 426374564 /nfs/dbraw/zinc/37/45/64/426374564.db2.gz AQVMOBYXKFXIBI-HNNXBMFYSA-N 0 0 316.357 2.738 50 0 DFAARN O=C(NCc1ccc(F)cc1)c1ccc(=O)n(-c2ccccc2)c1 ZINC000096192140 426406040 /nfs/dbraw/zinc/40/60/40/426406040.db2.gz WDMBRTDLBHAPFK-UHFFFAOYSA-N 0 0 322.339 2.907 50 0 DFAARN Cc1cc2ncnc(NC[C@@H]3CN(C4CC4)CCO3)c2cc1C ZINC000095945042 426375777 /nfs/dbraw/zinc/37/57/77/426375777.db2.gz ZFRSCLHIKYHLCP-OAHLLOKOSA-N 0 0 312.417 2.522 50 0 DFAARN COc1ccc2nc(C)cc(OCC(=O)N3CCCCC3)c2c1 ZINC000095947481 426375798 /nfs/dbraw/zinc/37/57/98/426375798.db2.gz ULWNZOBGZXLKFH-UHFFFAOYSA-N 0 0 314.385 2.943 50 0 DFAARN C[C@H](c1ccsc1)N1CCN(C(=O)NC2CC=CC2)CC1 ZINC000095943337 426376186 /nfs/dbraw/zinc/37/61/86/426376186.db2.gz TWFZGZQEFROGNI-CYBMUJFWSA-N 0 0 305.447 2.855 50 0 DFAARN CC1CCN(CC(=O)Nc2cc(Br)ccn2)CC1 ZINC000095946200 426376203 /nfs/dbraw/zinc/37/62/03/426376203.db2.gz VUFZCSFDTJKVBG-UHFFFAOYSA-N 0 0 312.211 2.515 50 0 DFAARN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1nccs1 ZINC000095946803 426376267 /nfs/dbraw/zinc/37/62/67/426376267.db2.gz OAVUNANDJZKRBY-CQSZACIVSA-N 0 0 315.398 2.618 50 0 DFAARN CCn1c(SCC(C)(C)O)nc2sc(C)c(C)c2c1=O ZINC000095947680 426376280 /nfs/dbraw/zinc/37/62/80/426376280.db2.gz SWOMVNZEVMJDLI-UHFFFAOYSA-N 0 0 312.460 2.958 50 0 DFAARN O=S(=O)(Cc1ccccc1C(F)(F)F)C[C@H]1CCCO1 ZINC000095948635 426376491 /nfs/dbraw/zinc/37/64/91/426376491.db2.gz JRNQWGFBBOCUAB-LLVKDONJSA-N 0 0 308.321 2.799 50 0 DFAARN Cc1ccc(C(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)n1C ZINC000095960072 426377053 /nfs/dbraw/zinc/37/70/53/426377053.db2.gz PITZWHZVEGRGGT-QGZVFWFLSA-N 0 0 316.401 2.584 50 0 DFAARN O=C(Cn1c(=O)scc1-c1ccccc1F)NCC1CCC1 ZINC000095959066 426377573 /nfs/dbraw/zinc/37/75/73/426377573.db2.gz PQKWDPSDNOLVSX-UHFFFAOYSA-N 0 0 320.389 2.632 50 0 DFAARN Cc1cc([C@@H]2CCCN2C(=O)c2ccnc(-n3ccnc3)c2)on1 ZINC000095954244 426377712 /nfs/dbraw/zinc/37/77/12/426377712.db2.gz WSLOUZRFQZPXHA-AWEZNQCLSA-N 0 0 323.356 2.541 50 0 DFAARN CNC(=O)c1cccc(NCc2cnn(-c3ccccc3)n2)c1C ZINC000122483383 426378082 /nfs/dbraw/zinc/37/80/82/426378082.db2.gz NAXAQBLXWOPABQ-UHFFFAOYSA-N 0 0 321.384 2.547 50 0 DFAARN Cn1ccnc(Sc2ncc(C(F)(F)F)cc2Cl)c1=O ZINC000095961949 426378238 /nfs/dbraw/zinc/37/82/38/426378238.db2.gz KUHBWKQOSOEDJF-UHFFFAOYSA-N 0 0 321.711 2.999 50 0 DFAARN CCC1(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)CCCC1 ZINC000095964967 426378323 /nfs/dbraw/zinc/37/83/23/426378323.db2.gz DJXLRSUVZIIMIK-UHFFFAOYSA-N 0 0 302.418 2.975 50 0 DFAARN Cc1nc([C@@H]2CN(CCCc3ccccc3C)CCO2)no1 ZINC000095964547 426378458 /nfs/dbraw/zinc/37/84/58/426378458.db2.gz VDXRCRXRHZEETM-INIZCTEOSA-N 0 0 301.390 2.693 50 0 DFAARN CC(C)n1ccc(C(=O)N(C)c2cccnc2N2CCCC2)n1 ZINC000095963636 426378779 /nfs/dbraw/zinc/37/87/79/426378779.db2.gz FGAGBOAJWKPZKK-UHFFFAOYSA-N 0 0 313.405 2.736 50 0 DFAARN Cn1nccc1CNC(=O)NC[C@H]1C[C@@]12CCCc1ccccc12 ZINC000095965939 426379053 /nfs/dbraw/zinc/37/90/53/426379053.db2.gz HFKVCOILBHQFJP-BEFAXECRSA-N 0 0 324.428 2.514 50 0 DFAARN COC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC000095970899 426379275 /nfs/dbraw/zinc/37/92/75/426379275.db2.gz HOUYQZTZRVBMFS-GXSJLCMTSA-N 0 0 313.756 2.941 50 0 DFAARN O=C(Cn1cc(C2CC2)nn1)N1CCCC2(CCCCC2)C1 ZINC000095966117 426379432 /nfs/dbraw/zinc/37/94/32/426379432.db2.gz ZKSRQFJZKUPSPQ-UHFFFAOYSA-N 0 0 302.422 2.728 50 0 DFAARN COC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC000095970898 426379607 /nfs/dbraw/zinc/37/96/07/426379607.db2.gz HOUYQZTZRVBMFS-MWLCHTKSSA-N 0 0 313.756 2.941 50 0 DFAARN CC(C)c1cccc(S(=O)(=O)N[C@H]2CCC[C@]2(C)CO)c1 ZINC000095975995 426379974 /nfs/dbraw/zinc/37/99/74/426379974.db2.gz IFANSHIGMXWEHM-JKSUJKDBSA-N 0 0 311.447 2.639 50 0 DFAARN CC(C)Nc1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cn1 ZINC000095972031 426380107 /nfs/dbraw/zinc/38/01/07/426380107.db2.gz ATFHCTQXGFTYAP-CYBMUJFWSA-N 0 0 303.406 2.543 50 0 DFAARN COc1cccc([C@H](O)COc2cccc(-n3cccn3)c2)c1 ZINC000095974935 426380167 /nfs/dbraw/zinc/38/01/67/426380167.db2.gz HSAYXYDCTLQJNK-GOSISDBHSA-N 0 0 310.353 2.993 50 0 DFAARN COc1ccc(CNc2ccc(C)c(-n3nnnc3C)c2)cc1 ZINC000095971938 426380250 /nfs/dbraw/zinc/38/02/50/426380250.db2.gz PIKCDJDNUNCHGP-UHFFFAOYSA-N 0 0 309.373 2.900 50 0 DFAARN C[C@@]1(NC(=O)Nc2ccc3c(cnn3C(F)F)c2)CCOC1 ZINC000095975318 426380516 /nfs/dbraw/zinc/38/05/16/426380516.db2.gz XDUZPUXMTSJKBN-CQSZACIVSA-N 0 0 310.304 2.732 50 0 DFAARN Cc1ccc2cc(C(=O)NC[C@H](C)Cn3cccn3)ccc2n1 ZINC000095972311 426380771 /nfs/dbraw/zinc/38/07/71/426380771.db2.gz HZPLYGKIOQXCTE-ZDUSSCGKSA-N 0 0 308.385 2.806 50 0 DFAARN Clc1cccnc1OCCNc1ncnc2ncccc21 ZINC000095973324 426380860 /nfs/dbraw/zinc/38/08/60/426380860.db2.gz KELPQNYCKWIUCC-UHFFFAOYSA-N 0 0 301.737 2.564 50 0 DFAARN CN(Cc1nsc(N(C)C)n1)Cc1nc2c(s1)CCCC2 ZINC000095972463 426380885 /nfs/dbraw/zinc/38/08/85/426380885.db2.gz ALAMMVCMQNBOND-UHFFFAOYSA-N 0 0 323.491 2.571 50 0 DFAARN O=C(NCc1ncc(-c2ccccc2)o1)C(F)(F)C1(O)CCC1 ZINC000095978301 426381282 /nfs/dbraw/zinc/38/12/82/426381282.db2.gz NDAMYUFSXWQTNZ-UHFFFAOYSA-N 0 0 322.311 2.508 50 0 DFAARN COc1cccc(C(=O)Nc2cccnc2OCC(F)F)c1 ZINC000095980286 426381289 /nfs/dbraw/zinc/38/12/89/426381289.db2.gz QWGQWTQHLLHTRM-UHFFFAOYSA-N 0 0 308.284 2.986 50 0 DFAARN C[C@@H](C(=O)N1CCC(n2ccnn2)CC1)c1ccc(Cl)s1 ZINC000095979276 426381298 /nfs/dbraw/zinc/38/12/98/426381298.db2.gz CCLZTKQKDOWVAH-SNVBAGLBSA-N 0 0 324.837 2.960 50 0 DFAARN CNc1ncc(C(=O)NCC(C)(C)CC2CCOCC2)s1 ZINC000095979119 426381423 /nfs/dbraw/zinc/38/14/23/426381423.db2.gz XFPVSSPIRYQZTO-UHFFFAOYSA-N 0 0 311.451 2.758 50 0 DFAARN COc1cc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1F ZINC000095980042 426381661 /nfs/dbraw/zinc/38/16/61/426381661.db2.gz HUDRHILGYQXUDX-MJVIPROJSA-N 0 0 310.369 2.762 50 0 DFAARN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@H](C)c1ccncc1 ZINC000095978993 426381725 /nfs/dbraw/zinc/38/17/25/426381725.db2.gz DMEUYELZMILVKD-VXGBXAGGSA-N 0 0 300.406 2.835 50 0 DFAARN COc1cccc([C@H](O)C(=O)NC[C@H](C)c2ccsc2)c1 ZINC000095979448 426381974 /nfs/dbraw/zinc/38/19/74/426381974.db2.gz BOSDMTJXJDYDGD-NHYWBVRUSA-N 0 0 305.399 2.710 50 0 DFAARN C[C@H](NCc1noc(C2CC2)n1)c1cccc(-n2cccn2)c1 ZINC000095985205 426382199 /nfs/dbraw/zinc/38/21/99/426382199.db2.gz DHFUTLWORWYZLU-LBPRGKRZSA-N 0 0 309.373 2.984 50 0 DFAARN CC[C@@H](NC(=O)N1CCCC2(C1)OCCO2)c1cccs1 ZINC000095982068 426382244 /nfs/dbraw/zinc/38/22/44/426382244.db2.gz IKBHPNOHWUGRII-GFCCVEGCSA-N 0 0 310.419 2.748 50 0 DFAARN CCc1ncnc(N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)c1F ZINC000095981581 426382759 /nfs/dbraw/zinc/38/27/59/426382759.db2.gz LWCBAUWMAHYNLA-RYUDHWBXSA-N 0 0 308.401 2.673 50 0 DFAARN CS[C@H](CNC(=O)N(C)C[C@@H](C)O)c1cccc(Cl)c1 ZINC000095983885 426383171 /nfs/dbraw/zinc/38/31/71/426383171.db2.gz XCGXOORRJNYYMJ-ZWNOBZJWSA-N 0 0 316.854 2.766 50 0 DFAARN Cc1cncc(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)c1 ZINC000095980980 426383234 /nfs/dbraw/zinc/38/32/34/426383234.db2.gz WCYGPXGDMKXCSU-LBPRGKRZSA-N 0 0 300.333 2.920 50 0 DFAARN O=C(Nc1ccccc1CN1CCNC1=O)c1ccc(F)cc1 ZINC000095993547 426384887 /nfs/dbraw/zinc/38/48/87/426384887.db2.gz FMPCWURZPPZANH-UHFFFAOYSA-N 0 0 313.332 2.603 50 0 DFAARN O=C(Nc1ccccc1CN1CCNC1=O)c1ccsc1 ZINC000095993551 426385141 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/nfs/dbraw/zinc/03/69/76/183036976.db2.gz YVFBDWFLLPYODY-UHFFFAOYSA-N 0 0 315.402 2.958 50 0 DFAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)CCn2ccnc2)c1 ZINC000040117554 183037488 /nfs/dbraw/zinc/03/74/88/183037488.db2.gz UTLOGBVOXZASDA-UHFFFAOYSA-N 0 0 314.389 2.897 50 0 DFAARN CN(Cc1ccc(F)cc1F)C(=O)CN1CCCCCCC1=O ZINC000040120716 183037919 /nfs/dbraw/zinc/03/79/19/183037919.db2.gz QILVKSLOUMOQMZ-UHFFFAOYSA-N 0 0 324.371 2.716 50 0 DFAARN COC(=O)C1(NC(=O)/C=C/c2c(F)cccc2F)CCCCC1 ZINC000040132519 183038829 /nfs/dbraw/zinc/03/88/29/183038829.db2.gz MZXKBQPCZHGUFH-CMDGGOBGSA-N 0 0 323.339 2.970 50 0 DFAARN O=C(CCn1sc2ccccc2c1=O)Nc1ccccc1O ZINC000040286866 183051289 /nfs/dbraw/zinc/05/12/89/183051289.db2.gz MUHVOJNITZDASY-UHFFFAOYSA-N 0 0 314.366 2.797 50 0 DFAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000040457518 183068767 /nfs/dbraw/zinc/06/87/67/183068767.db2.gz OIHXTAVJBKNYOC-OAHLLOKOSA-N 0 0 300.402 2.700 50 0 DFAARN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2nc(C)sc2c1 ZINC000040462137 183071088 /nfs/dbraw/zinc/07/10/88/183071088.db2.gz KTWTVWQADLNTAL-CYBMUJFWSA-N 0 0 303.387 2.554 50 0 DFAARN CC(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)s1 ZINC000040466615 183072485 /nfs/dbraw/zinc/07/24/85/183072485.db2.gz DGXGOHAPOMEALC-UHFFFAOYSA-N 0 0 317.366 2.652 50 0 DFAARN CC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3ccc(C)o3)ccc21 ZINC000040475442 183073968 /nfs/dbraw/zinc/07/39/68/183073968.db2.gz OBWGECGECCEGJU-LBPRGKRZSA-N 0 0 312.369 2.988 50 0 DFAARN COc1ccc([C@H]2CCCN2C(=O)CN2CCSC2=O)cc1 ZINC000040473622 183074385 /nfs/dbraw/zinc/07/43/85/183074385.db2.gz SVJKKRMJKUFBJM-CQSZACIVSA-N 0 0 320.414 2.528 50 0 DFAARN COc1cc(NC(=O)NCCCOCC2CC2)cc(OC)c1 ZINC000040477751 183076011 /nfs/dbraw/zinc/07/60/11/183076011.db2.gz HUTJBDCSKDOLTC-UHFFFAOYSA-N 0 0 308.378 2.642 50 0 DFAARN CC(=O)c1c(C)[nH]c(C(=O)NCCCOCc2ccco2)c1C ZINC000040479740 183077026 /nfs/dbraw/zinc/07/70/26/183077026.db2.gz NRDIEODIBAOSPM-UHFFFAOYSA-N 0 0 318.373 2.764 50 0 DFAARN O=C(NCCCOC[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000040487766 183078273 /nfs/dbraw/zinc/07/82/73/183078273.db2.gz UNUCCOLENAHTIR-SNVBAGLBSA-N 0 0 303.811 2.717 50 0 DFAARN CN(C)c1ccc(NC(=O)CCC(=O)c2cccs2)cn1 ZINC000040487631 183078418 /nfs/dbraw/zinc/07/84/18/183078418.db2.gz FDGNKNIFRKJMTN-UHFFFAOYSA-N 0 0 303.387 2.811 50 0 DFAARN NC(=O)c1cc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)c[nH]1 ZINC000040488922 183078810 /nfs/dbraw/zinc/07/88/10/183078810.db2.gz SPOPGADKMNULPH-VIFPVBQESA-N 0 0 316.386 2.532 50 0 DFAARN O=C(c1ccc[nH]c1=S)N1CCN(Cc2cccs2)CC1 ZINC000040489358 183078926 /nfs/dbraw/zinc/07/89/26/183078926.db2.gz UPGFQMAWIIWYNC-UHFFFAOYSA-N 0 0 319.455 2.764 50 0 DFAARN CC[C@H](C(=O)N1CCC(C(=O)N(C)C)CC1)c1ccccc1 ZINC000040489195 183079037 /nfs/dbraw/zinc/07/90/37/183079037.db2.gz BKQIYVGGTZBLGV-INIZCTEOSA-N 0 0 302.418 2.507 50 0 DFAARN Cc1ccc(-c2noc([C@H](C)N3CCC(O)CC3)n2)cc1F ZINC000040488767 183079253 /nfs/dbraw/zinc/07/92/53/183079253.db2.gz GJNXPZBXDYPSJV-NSHDSACASA-N 0 0 305.353 2.702 50 0 DFAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccccn1 ZINC000040494430 183080603 /nfs/dbraw/zinc/08/06/03/183080603.db2.gz QFFUGDZKWOIMNZ-SECBINFHSA-N 0 0 314.769 2.914 50 0 DFAARN CCC(C)(C)NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 ZINC000040496961 183081379 /nfs/dbraw/zinc/08/13/79/183081379.db2.gz SFUHOABXVYUSAC-KPKJPENVSA-N 0 0 300.402 2.897 50 0 DFAARN CCOc1cc(C(=O)N(C)C)ccc1OCc1ccncc1 ZINC000040498447 183082640 /nfs/dbraw/zinc/08/26/40/183082640.db2.gz JAKSZNVBTMDFHE-UHFFFAOYSA-N 0 0 300.358 2.761 50 0 DFAARN O=C(NCCC1=CCCCC1)NCc1nnc2n1CCCCC2 ZINC000040501029 183083583 /nfs/dbraw/zinc/08/35/83/183083583.db2.gz ZCEBKUQIATXWDO-UHFFFAOYSA-N 0 0 317.437 2.694 50 0 DFAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1CCCO1 ZINC000040505808 183085588 /nfs/dbraw/zinc/08/55/88/183085588.db2.gz SLXSUVBZIXDPGM-ZDUSSCGKSA-N 0 0 304.321 2.698 50 0 DFAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000040510161 183085867 /nfs/dbraw/zinc/08/58/67/183085867.db2.gz QCTUJIAYLALWJE-BDAKNGLRSA-N 0 0 312.822 2.590 50 0 DFAARN O=C(CN(CC(=O)c1ccc[nH]1)c1ccccc1)c1ccc[nH]1 ZINC000040512631 183088044 /nfs/dbraw/zinc/08/80/44/183088044.db2.gz JGEIRPPFDSQCMV-UHFFFAOYSA-N 0 0 307.353 2.915 50 0 DFAARN CCN(Cc1cccc(C)c1)S(=O)(=O)c1c(C)noc1C ZINC000040516554 183089340 /nfs/dbraw/zinc/08/93/40/183089340.db2.gz AIXZPGMESMLIBS-UHFFFAOYSA-N 0 0 308.403 2.811 50 0 DFAARN O=c1[nH]ncc(NCc2cccnc2OC2CCCC2)c1Cl ZINC000040520235 183090467 /nfs/dbraw/zinc/09/04/67/183090467.db2.gz SBEOQCWWNRESKC-UHFFFAOYSA-N 0 0 320.780 2.752 50 0 DFAARN CCOC(=O)[C@H]1CCCN(C(=O)Nc2c(F)cccc2F)C1 ZINC000040525887 183092040 /nfs/dbraw/zinc/09/20/40/183092040.db2.gz LOIBYKKLESVKGN-JTQLQIEISA-N 0 0 312.316 2.772 50 0 DFAARN O=C(NC[C@H](O)c1ccccc1F)Nc1ccc(F)c(F)c1 ZINC000040525889 183092109 /nfs/dbraw/zinc/09/21/09/183092109.db2.gz KFIOZZHPPBQEFO-AWEZNQCLSA-N 0 0 310.275 2.959 50 0 DFAARN CCc1cccc(CC)c1NC(=O)NC1CCN(C(C)=O)CC1 ZINC000040526340 183092709 /nfs/dbraw/zinc/09/27/09/183092709.db2.gz CDRANNXKYFMSBW-UHFFFAOYSA-N 0 0 317.433 2.944 50 0 DFAARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000040526584 183092904 /nfs/dbraw/zinc/09/29/04/183092904.db2.gz MVSLODWCFJZEOK-VXGBXAGGSA-N 0 0 310.419 2.600 50 0 DFAARN CCOc1ccc(CNC(=O)c2scnc2C)cc1OC ZINC000040529211 183093975 /nfs/dbraw/zinc/09/39/75/183093975.db2.gz GVXUCWJTKDFEMO-UHFFFAOYSA-N 0 0 306.387 2.789 50 0 DFAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2scnc2C)c1 ZINC000040529137 183094000 /nfs/dbraw/zinc/09/40/00/183094000.db2.gz RCAAZAYXCRAXER-SECBINFHSA-N 0 0 306.387 2.960 50 0 DFAARN COc1cc2c(cc1OC)CN(C(=O)c1scnc1C)CC2 ZINC000040529131 183094204 /nfs/dbraw/zinc/09/42/04/183094204.db2.gz DWINMNUABMUYIL-UHFFFAOYSA-N 0 0 318.398 2.667 50 0 DFAARN Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040529600 183094248 /nfs/dbraw/zinc/09/42/48/183094248.db2.gz AEFHGLVWXUWGGI-AOOOYVTPSA-N 0 0 306.387 2.961 50 0 DFAARN CCCC(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000040456081 183069394 /nfs/dbraw/zinc/06/93/94/183069394.db2.gz KKVJHXOAAZEXGA-UHFFFAOYSA-N 0 0 322.836 2.995 50 0 DFAARN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccoc2)c1 ZINC000040541779 183097721 /nfs/dbraw/zinc/09/77/21/183097721.db2.gz QMJZFUNMJBDMSG-GFCCVEGCSA-N 0 0 300.358 2.738 50 0 DFAARN CC(C)Oc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1 ZINC000040542290 183098365 /nfs/dbraw/zinc/09/83/65/183098365.db2.gz LECSEXXZSZICNE-LBPRGKRZSA-N 0 0 316.357 2.824 50 0 DFAARN CC(C)(C)C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(F)cc1 ZINC000040542494 183098499 /nfs/dbraw/zinc/09/84/99/183098499.db2.gz WLIYVRVOEHRZKH-CQSZACIVSA-N 0 0 317.364 2.816 50 0 DFAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCSCC1 ZINC000040542228 183098620 /nfs/dbraw/zinc/09/86/20/183098620.db2.gz BUGJCOFVEWOHIK-UHFFFAOYSA-N 0 0 320.389 2.989 50 0 DFAARN CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000040554136 183101009 /nfs/dbraw/zinc/10/10/09/183101009.db2.gz MLQLYKXWRQSDAA-NVXWUHKLSA-N 0 0 314.429 2.829 50 0 DFAARN Cc1nc(-c2cccc(Oc3ncnc4c3cnn4C)c2)no1 ZINC000040555456 183101756 /nfs/dbraw/zinc/10/17/56/183101756.db2.gz VNWHJGATTKTYNC-UHFFFAOYSA-N 0 0 308.301 2.514 50 0 DFAARN CC(C)[C@H](NC(=O)c1ccccc1F)c1nnc2ccccn21 ZINC000040562812 183102821 /nfs/dbraw/zinc/10/28/21/183102821.db2.gz ZVMLVTNKJHEFHJ-HNNXBMFYSA-N 0 0 312.348 2.996 50 0 DFAARN CCn1nc(C)cc1C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000040770601 183131511 /nfs/dbraw/zinc/13/15/11/183131511.db2.gz AINUZUUEXRSFGA-UHFFFAOYSA-N 0 0 317.389 2.501 50 0 DFAARN CCc1nn2c(nc(COc3ccc(C)cc3C)cc2=O)s1 ZINC000041076384 183162852 /nfs/dbraw/zinc/16/28/52/183162852.db2.gz WHDNWCRONJMNQI-UHFFFAOYSA-N 0 0 315.398 2.909 50 0 DFAARN OCCCNc1nc2ccccc2c(N2CCCCCC2)n1 ZINC000041149485 183177922 /nfs/dbraw/zinc/17/79/22/183177922.db2.gz UGWKNBCCILAPML-UHFFFAOYSA-N 0 0 300.406 2.805 50 0 DFAARN OCCNc1nc2ccccc2c(NCCc2ccccc2)n1 ZINC000041153319 183178581 /nfs/dbraw/zinc/17/85/81/183178581.db2.gz YFFLLQARDKKCGG-UHFFFAOYSA-N 0 0 308.385 2.689 50 0 DFAARN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CC1 ZINC000041267629 183182891 /nfs/dbraw/zinc/18/28/91/183182891.db2.gz PUTORQWXWLCVRV-UHFFFAOYSA-N 0 0 306.321 2.836 50 0 DFAARN Cc1nnsc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)no1 ZINC000041123732 183168170 /nfs/dbraw/zinc/16/81/70/183168170.db2.gz IDXZYCJAWXOASN-JTQLQIEISA-N 0 0 321.406 2.720 50 0 DFAARN Cc1noc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000041122714 183168190 /nfs/dbraw/zinc/16/81/90/183168190.db2.gz HXRGSIHTUSQDCP-AWEZNQCLSA-N 0 0 303.337 2.813 50 0 DFAARN Cc1noc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)n1 ZINC000041123259 183168320 /nfs/dbraw/zinc/16/83/20/183168320.db2.gz POUXNMUONXOIBT-AWEZNQCLSA-N 0 0 319.336 2.650 50 0 DFAARN Cc1ccc(-c2ccsc2C(=O)N2CC[C@H](C(N)=O)C2)cc1 ZINC000041126989 183169280 /nfs/dbraw/zinc/16/92/80/183169280.db2.gz SGGMWWZOGZXNDN-ZDUSSCGKSA-N 0 0 314.410 2.671 50 0 DFAARN Cc1c([C@H](C)NC(=O)NCCO[C@H]2CCCC[C@@H]2C)cnn1C ZINC000041133143 183170987 /nfs/dbraw/zinc/17/09/87/183170987.db2.gz DLFQWTBUHFHBPU-XEZPLFJOSA-N 0 0 322.453 2.684 50 0 DFAARN C[C@@H](NC(=O)NCc1ncc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000041374980 183187915 /nfs/dbraw/zinc/18/79/15/183187915.db2.gz PEHAYGDQASBNKV-OCCSQVGLSA-N 0 0 315.373 2.708 50 0 DFAARN O=C(NCCCn1cncn1)c1cc(F)c(Cl)cc1Cl ZINC000041862718 183222642 /nfs/dbraw/zinc/22/26/42/183222642.db2.gz NABJLOPXXHQLQJ-UHFFFAOYSA-N 0 0 317.151 2.544 50 0 DFAARN CC(C)(C)NC(=O)CNC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000041906467 183224513 /nfs/dbraw/zinc/22/45/13/183224513.db2.gz MNRKITRJGOZTPG-UHFFFAOYSA-N 0 0 320.408 2.668 50 0 DFAARN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(=O)[nH]c2)C2CC2)o1 ZINC000041895022 183224712 /nfs/dbraw/zinc/22/47/12/183224712.db2.gz DWTOPZFSKOBIPK-NHYWBVRUSA-N 0 0 312.369 2.896 50 0 DFAARN O=C(c1cccs1)N1NC(C2CC2)=C[C@]1(O)C(F)(F)F ZINC000004487730 296268322 /nfs/dbraw/zinc/26/83/22/296268322.db2.gz WPBQCJUMRDCJRF-NSHDSACASA-N 0 0 304.293 2.611 50 0 DFAARN O=C(c1ccc(Br)s1)N1CCO[C@H]2CCC[C@H]21 ZINC000042291115 183250164 /nfs/dbraw/zinc/25/01/64/183250164.db2.gz ZORXNJRKHGDUTI-BDAKNGLRSA-N 0 0 316.220 2.904 50 0 DFAARN CCCCn1nc(C)c(C(=O)N[C@H](C)Cn2cccn2)c1Cl ZINC000042366820 183259594 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0 DFAARN C[C@]1(C(=O)NCc2ccc3c(c2)OCO3)CC1(Cl)Cl ZINC000002872848 425605850 /nfs/dbraw/zinc/60/58/50/425605850.db2.gz WUKKOTQOJVTGCJ-GFCCVEGCSA-N 0 0 302.157 2.615 50 0 DFAARN COc1ccccc1[C@H]1C[C@H](c2cccnc2)Nc2ncnn21 ZINC000002919233 425606515 /nfs/dbraw/zinc/60/65/15/425606515.db2.gz FPDIORODUOBYBN-HUUCEWRRSA-N 0 0 307.357 2.828 50 0 DFAARN O=C(CCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 ZINC000002894564 425607083 /nfs/dbraw/zinc/60/70/83/425607083.db2.gz XKBMZEXPNLIWHL-UHFFFAOYSA-N 0 0 313.291 2.659 50 0 DFAARN O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000002943187 425607130 /nfs/dbraw/zinc/60/71/30/425607130.db2.gz SAXGZEUQKMMJEH-UHFFFAOYSA-N 0 0 302.761 2.637 50 0 DFAARN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1OC ZINC000002992810 425607935 /nfs/dbraw/zinc/60/79/35/425607935.db2.gz OAVLBPFVCBIOOJ-CYBMUJFWSA-N 0 0 306.406 2.966 50 0 DFAARN Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccc(F)cc2)c1 ZINC000002995427 425608425 /nfs/dbraw/zinc/60/84/25/425608425.db2.gz ICAUAZDGVVYTIR-UHFFFAOYSA-N 0 0 314.360 2.740 50 0 DFAARN CN(C)C(=O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000003069901 425609179 /nfs/dbraw/zinc/60/91/79/425609179.db2.gz MTNMSMBFDBEJFT-UHFFFAOYSA-N 0 0 310.275 2.966 50 0 DFAARN COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000000248989 425547638 /nfs/dbraw/zinc/54/76/38/425547638.db2.gz BJRUBHJGNFUTMS-UHFFFAOYSA-N 0 0 307.371 2.813 50 0 DFAARN O=C(Nc1ccc(OC(=O)c2ccncc2)cc1)c1ccncc1 ZINC000000240848 425548674 /nfs/dbraw/zinc/54/86/74/425548674.db2.gz ZPNSALXHHMSDDY-UHFFFAOYSA-N 0 0 319.320 2.948 50 0 DFAARN CC[C@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000000253708 425548791 /nfs/dbraw/zinc/54/87/91/425548791.db2.gz AWHWYDUFYAMMDU-HNNXBMFYSA-N 0 0 313.353 2.889 50 0 DFAARN O=C(CCC1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000000266652 425549738 /nfs/dbraw/zinc/54/97/38/425549738.db2.gz HPDSHQFWGQFCTE-UHFFFAOYSA-N 0 0 304.390 2.534 50 0 DFAARN COc1ccccc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000265941 425549979 /nfs/dbraw/zinc/54/99/79/425549979.db2.gz PAESUGCALJLNHQ-UHFFFAOYSA-N 0 0 314.360 2.797 50 0 DFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 ZINC000007381932 425642715 /nfs/dbraw/zinc/64/27/15/425642715.db2.gz NQAZFBYIYKVCSO-UHFFFAOYSA-N 0 0 322.361 2.893 50 0 DFAARN COc1ccccc1CNS(=O)(=O)c1cc(C)ccc1C ZINC000007376384 425642872 /nfs/dbraw/zinc/64/28/72/425642872.db2.gz HAHKHUNPZOHTLE-UHFFFAOYSA-N 0 0 305.399 2.791 50 0 DFAARN Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C ZINC000007376530 425642926 /nfs/dbraw/zinc/64/29/26/425642926.db2.gz YWJFGZAXFZHRJD-UHFFFAOYSA-N 0 0 307.390 2.964 50 0 DFAARN CC(=O)c1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1 ZINC000007405356 425644379 /nfs/dbraw/zinc/64/43/79/425644379.db2.gz YPDYYQIZOCXPPQ-UHFFFAOYSA-N 0 0 311.309 2.968 50 0 DFAARN Cc1cnc(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cn1 ZINC000007414980 425644410 /nfs/dbraw/zinc/64/44/10/425644410.db2.gz ZIGKPFFJGNQONR-JTQLQIEISA-N 0 0 304.733 2.867 50 0 DFAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cccc(F)c1 ZINC000007513852 425645196 /nfs/dbraw/zinc/64/51/96/425645196.db2.gz JKVPJYWZAFCRQL-UHFFFAOYSA-N 0 0 314.268 2.995 50 0 DFAARN CCOc1cc(C(=O)Nc2nnc(CC)s2)ccc1OC ZINC000008988008 425679186 /nfs/dbraw/zinc/67/91/86/425679186.db2.gz YAFBRIQGFGGTNS-UHFFFAOYSA-N 0 0 307.375 2.760 50 0 DFAARN C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2NC1=O ZINC000008937830 425679207 /nfs/dbraw/zinc/67/92/07/425679207.db2.gz KLPOLHRUIPRGFW-XPUUQOCRSA-N 0 0 315.156 2.538 50 0 DFAARN O=C(O[C@@H]1CCCCC1=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000007542103 425646041 /nfs/dbraw/zinc/64/60/41/425646041.db2.gz RKOHKHGMVSRPGI-IAQYHMDHSA-N 0 0 308.761 2.946 50 0 DFAARN CN(C(=O)COC(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000007507866 425646369 /nfs/dbraw/zinc/64/63/69/425646369.db2.gz RPHSEKACUVHVKM-UHFFFAOYSA-N 0 0 308.337 2.988 50 0 DFAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(C)cc1 ZINC000007549626 425646457 /nfs/dbraw/zinc/64/64/57/425646457.db2.gz UNDRJGSTXSVDCG-ZDUSSCGKSA-N 0 0 315.373 2.529 50 0 DFAARN CSc1cccc2sc(N3CCN(C(C)=O)CC3)nc21 ZINC000007599348 425647052 /nfs/dbraw/zinc/64/70/52/425647052.db2.gz MBORXAPGJAMFMP-UHFFFAOYSA-N 0 0 307.444 2.687 50 0 DFAARN COc1cc(CNn2cnnc2)ccc1OCc1cccs1 ZINC000007602618 425647363 /nfs/dbraw/zinc/64/73/63/425647363.db2.gz IMNIADGPDROPJX-UHFFFAOYSA-N 0 0 316.386 2.671 50 0 DFAARN O=C(CCc1ccsc1)OCC(=O)c1ccc2c(c1)OCO2 ZINC000007555696 425647866 /nfs/dbraw/zinc/64/78/66/425647866.db2.gz RWJPTBIXUWZVML-UHFFFAOYSA-N 0 0 318.350 2.836 50 0 DFAARN COc1ccc(NC(=O)CN2CCc3ccccc32)cc1OC ZINC000007600875 425648040 /nfs/dbraw/zinc/64/80/40/425648040.db2.gz LZIFSBLUTINMIF-UHFFFAOYSA-N 0 0 312.369 2.705 50 0 DFAARN COC(=O)CCS[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000007658371 425648727 /nfs/dbraw/zinc/64/87/27/425648727.db2.gz IJVKIGHSVSMMPB-LLVKDONJSA-N 0 0 309.387 2.513 50 0 DFAARN CCNC(=O)[C@H](C)OC(=O)c1c(C)nc2ccccc2c1C ZINC000007711205 425650826 /nfs/dbraw/zinc/65/08/26/425650826.db2.gz KYOLXOJDZJCJPP-LBPRGKRZSA-N 0 0 300.358 2.533 50 0 DFAARN O=c1c2ccccc2nnn1COc1ccc(F)c(Cl)c1 ZINC000007718698 425651057 /nfs/dbraw/zinc/65/10/57/425651057.db2.gz CEMMEIITWIKCJD-UHFFFAOYSA-N 0 0 305.696 2.621 50 0 DFAARN COc1ccc(Cl)cc1NC(=O)c1c(C)cc(C)[nH]c1=O ZINC000008941175 425679346 /nfs/dbraw/zinc/67/93/46/425679346.db2.gz CDLLQTVEBDULJT-UHFFFAOYSA-N 0 0 306.749 2.906 50 0 DFAARN C[C@H](NC(=O)Cc1ccsc1)c1ccc(-n2cncn2)cc1 ZINC000007814326 425652721 /nfs/dbraw/zinc/65/27/21/425652721.db2.gz QEDMMINPIJIASO-LBPRGKRZSA-N 0 0 312.398 2.749 50 0 DFAARN C[C@@H]1CCc2c(sc3ncnc(NCC(=O)NC4CC4)c32)C1 ZINC000007903122 425655330 /nfs/dbraw/zinc/65/53/30/425655330.db2.gz VOUOIGQWYFDZHQ-SECBINFHSA-N 0 0 316.430 2.507 50 0 DFAARN CCn1cnnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000007995107 425657399 /nfs/dbraw/zinc/65/73/99/425657399.db2.gz NGTSZHRLLKSQBR-LLVKDONJSA-N 0 0 320.418 2.809 50 0 DFAARN c1coc(CSCCNc2nnnn2-c2ccccc2)c1 ZINC000007984779 425658619 /nfs/dbraw/zinc/65/86/19/425658619.db2.gz YQJWPEFZANXZML-UHFFFAOYSA-N 0 0 301.375 2.601 50 0 DFAARN Cc1cc(C(=O)COC(=O)c2ccc(F)cc2F)c(C)n1C ZINC000008988714 425679553 /nfs/dbraw/zinc/67/95/53/425679553.db2.gz UEGKBSOMSYHFQQ-UHFFFAOYSA-N 0 0 307.296 2.960 50 0 DFAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008041290 425659486 /nfs/dbraw/zinc/65/94/86/425659486.db2.gz BOWXIJNAPSTIPB-CQSZACIVSA-N 0 0 316.332 2.721 50 0 DFAARN COc1cccc(NC(=O)CNC(=O)c2ccccc2Cl)c1 ZINC000008938632 425679623 /nfs/dbraw/zinc/67/96/23/425679623.db2.gz XTAQUYQZOPXHPT-UHFFFAOYSA-N 0 0 318.760 2.717 50 0 DFAARN CCc1ccccc1NC(=O)c1cnc2ccc(C)cn2c1=O ZINC000008132249 425660751 /nfs/dbraw/zinc/66/07/51/425660751.db2.gz BKEZMZLYPIWMLZ-UHFFFAOYSA-N 0 0 307.353 2.818 50 0 DFAARN Cc1ccc(C(=O)OCC(=O)NCc2ccccc2F)c(C)c1 ZINC000008099196 425660767 /nfs/dbraw/zinc/66/07/67/425660767.db2.gz JZUCLINJEIGDKC-UHFFFAOYSA-N 0 0 315.344 2.916 50 0 DFAARN COc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)c(OC)c1 ZINC000008114476 425660824 /nfs/dbraw/zinc/66/08/24/425660824.db2.gz YMQZKFSESABKLR-ZDUSSCGKSA-N 0 0 313.353 2.894 50 0 DFAARN CCn1nc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc2c1=O ZINC000008133424 425661098 /nfs/dbraw/zinc/66/10/98/425661098.db2.gz HGMUUASTWGFNFY-CHWSQXEVSA-N 0 0 313.401 2.535 50 0 DFAARN CCCNC(=S)NCc1c(C)nn(-c2ccccc2)c1C ZINC000008150433 425661416 /nfs/dbraw/zinc/66/14/16/425661416.db2.gz VHNXMKSRBNPNPP-UHFFFAOYSA-N 0 0 302.447 2.863 50 0 DFAARN CCNC(=O)[C@@H](C)Nc1ncnc2sc3c(c21)CCCCC3 ZINC000008193537 425663335 /nfs/dbraw/zinc/66/33/35/425663335.db2.gz IYQIABYFMRGPQT-SNVBAGLBSA-N 0 0 318.446 2.897 50 0 DFAARN Cc1cc(C)c(NC(=O)COc2nnc3ccccn32)c(C)c1 ZINC000008224884 425663932 /nfs/dbraw/zinc/66/39/32/425663932.db2.gz JRNQVALFLZWERR-UHFFFAOYSA-N 0 0 310.357 2.672 50 0 DFAARN C[C@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccco1 ZINC000008249540 425664174 /nfs/dbraw/zinc/66/41/74/425664174.db2.gz XVKHAQIQMOWFNM-QMMMGPOBSA-N 0 0 324.431 2.675 50 0 DFAARN CC(C)N(C(=O)Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000008240315 425664243 /nfs/dbraw/zinc/66/42/43/425664243.db2.gz UBHXTJNJONYATK-UHFFFAOYSA-N 0 0 321.380 2.838 50 0 DFAARN Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)n1 ZINC000008217203 425664525 /nfs/dbraw/zinc/66/45/25/425664525.db2.gz MVCBCNHAZJHPRE-LBPRGKRZSA-N 0 0 315.398 2.752 50 0 DFAARN C/C=C/c1ccc(OCC(=O)NCc2ccccn2)c(OC)c1 ZINC000008289746 425665661 /nfs/dbraw/zinc/66/56/61/425665661.db2.gz MLFZMUIESTZCSH-ZZXKWVIFSA-N 0 0 312.369 2.819 50 0 DFAARN CCNc1nnc(SCC(=O)NC2CCCCCC2)s1 ZINC000008316256 425665980 /nfs/dbraw/zinc/66/59/80/425665980.db2.gz LMPHFWGDLTVLMJ-UHFFFAOYSA-N 0 0 314.480 2.901 50 0 DFAARN O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(O)cc1 ZINC000008287932 425666226 /nfs/dbraw/zinc/66/62/26/425666226.db2.gz VOFZUBLBFFCWDK-MRXNPFEDSA-N 0 0 311.337 2.569 50 0 DFAARN O=C(CCc1ccccc1F)NCc1ccc2c(c1)OCO2 ZINC000008273466 425666586 /nfs/dbraw/zinc/66/65/86/425666586.db2.gz XHAZMCGTJVTIJO-UHFFFAOYSA-N 0 0 301.317 2.803 50 0 DFAARN COc1cccc(CNC(=O)c2cncc(Br)c2)c1 ZINC000008379252 425667827 /nfs/dbraw/zinc/66/78/27/425667827.db2.gz IHHJPZZFXFJFTH-UHFFFAOYSA-N 0 0 321.174 2.783 50 0 DFAARN O=C1CCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2N1 ZINC000008962478 425679794 /nfs/dbraw/zinc/67/97/94/425679794.db2.gz SSACDIGHHZHFBT-UHFFFAOYSA-N 0 0 320.345 2.511 50 0 DFAARN Cc1cccc(OCCCSc2n[nH]c(=O)n2C2CC2)c1 ZINC000008504485 425668796 /nfs/dbraw/zinc/66/87/96/425668796.db2.gz QLANMFJSXBCFJK-UHFFFAOYSA-N 0 0 305.403 2.776 50 0 DFAARN Cc1csc(SCC(=O)NC(=O)NC2CCCCC2)n1 ZINC000008511482 425669643 /nfs/dbraw/zinc/66/96/43/425669643.db2.gz YBPIGXZGOZMBKN-UHFFFAOYSA-N 0 0 313.448 2.702 50 0 DFAARN NC(=O)c1ccsc1NC(=O)COc1cccc(Cl)c1 ZINC000008536675 425670623 /nfs/dbraw/zinc/67/06/23/425670623.db2.gz OFHMNIHUECHNJD-UHFFFAOYSA-N 0 0 310.762 2.518 50 0 DFAARN CCOc1ccccc1CNC(=O)C[C@@H](C)n1ccc(C)n1 ZINC000008605366 425670660 /nfs/dbraw/zinc/67/06/60/425670660.db2.gz NDJCLRMRBVMSFL-CQSZACIVSA-N 0 0 301.390 2.858 50 0 DFAARN O=C(CCn1cccn1)Nc1ccc(Br)cc1F ZINC000008604788 425670826 /nfs/dbraw/zinc/67/08/26/425670826.db2.gz VRPBKXNCKFZPGS-UHFFFAOYSA-N 0 0 312.142 2.814 50 0 DFAARN Cc1cc(C(=O)O[C@@H](C)C(=O)NC(C)C)c2ccccc2n1 ZINC000008538118 425670947 /nfs/dbraw/zinc/67/09/47/425670947.db2.gz AUIAASWTIOOLSK-LBPRGKRZSA-N 0 0 300.358 2.613 50 0 DFAARN 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Cc1n[nH]cc1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000127149820 426053753 /nfs/dbraw/zinc/05/37/53/426053753.db2.gz ONLNKMSVORNWIR-UHFFFAOYSA-N 0 0 319.308 2.679 50 0 DFAARN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCSC2)c(Cl)c1 ZINC000127335277 426062169 /nfs/dbraw/zinc/06/21/69/426062169.db2.gz PVXDQDSHPFQNPI-SNVBAGLBSA-N 0 0 312.822 2.551 50 0 DFAARN CCS[C@H]1CCCC[C@@H]1Nc1nn2c(nccc2=O)s1 ZINC000075105358 426062225 /nfs/dbraw/zinc/06/22/25/426062225.db2.gz LDJBRNFBMDXCHE-UWVGGRQHSA-N 0 0 310.448 2.627 50 0 DFAARN Cc1nc(C)c(NC(=O)c2cnc3c(c2)c(C)nn3C)s1 ZINC000075107238 426062521 /nfs/dbraw/zinc/06/25/21/426062521.db2.gz IURTVKQKCQGDCA-UHFFFAOYSA-N 0 0 301.375 2.602 50 0 DFAARN COC(=O)C1CCN(c2ncc(Br)cc2C)CC1 ZINC000075094351 426062827 /nfs/dbraw/zinc/06/28/27/426062827.db2.gz GXIQZYYBESXTOG-UHFFFAOYSA-N 0 0 313.195 2.542 50 0 DFAARN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1ccncc1 ZINC000075130381 426063455 /nfs/dbraw/zinc/06/34/55/426063455.db2.gz VSNMTCUBBUROCL-INIZCTEOSA-N 0 0 312.417 2.728 50 0 DFAARN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nnc(C2CC2)o1 ZINC000075132428 426063667 /nfs/dbraw/zinc/06/36/67/426063667.db2.gz QQRVXOGPPLQAHG-CYBMUJFWSA-N 0 0 301.394 2.634 50 0 DFAARN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCc1nccs1 ZINC000075130495 426063784 /nfs/dbraw/zinc/06/37/84/426063784.db2.gz QWNPPYYRNZCCEM-CYBMUJFWSA-N 0 0 318.446 2.790 50 0 DFAARN Cc1cc(C)c(CNC(=O)c2sccc2C2CC2)c(=O)[nH]1 ZINC000075124554 426063792 /nfs/dbraw/zinc/06/37/92/426063792.db2.gz AQCRADUVCWJKFE-UHFFFAOYSA-N 0 0 302.399 2.861 50 0 DFAARN Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)c(=O)[nH]1 ZINC000075118460 426063908 /nfs/dbraw/zinc/06/39/08/426063908.db2.gz IZCPFYYNUSNQHL-UHFFFAOYSA-N 0 0 322.364 2.645 50 0 DFAARN Cc1ccc([C@H](O)CN2CCc3c(ncn3C3CC3)C2)cc1C ZINC000075132618 426063989 /nfs/dbraw/zinc/06/39/89/426063989.db2.gz YKPQPODZBCHXAO-LJQANCHMSA-N 0 0 311.429 2.927 50 0 DFAARN CC(=O)Nc1ccc(F)c(C(=O)NC[C@](C)(O)CCC(C)C)c1 ZINC000075125726 426064026 /nfs/dbraw/zinc/06/40/26/426064026.db2.gz KZSVHEXQBDPWCK-QGZVFWFLSA-N 0 0 324.396 2.701 50 0 DFAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(N)n2C(C)C)c1 ZINC000075147441 426064599 /nfs/dbraw/zinc/06/45/99/426064599.db2.gz VVUYREBMSSCYSY-LLVKDONJSA-N 0 0 319.434 2.869 50 0 DFAARN CC(C)C[C@](C)(NC(=O)CCc1ccc(Cl)s1)C(N)=O ZINC000075136785 426065253 /nfs/dbraw/zinc/06/52/53/426065253.db2.gz KXVXZNFABIOQOK-AWEZNQCLSA-N 0 0 316.854 2.740 50 0 DFAARN COc1ccc(C[C@](C)(O)CNC(=O)c2cc(C)oc2C)cc1 ZINC000075155513 426065263 /nfs/dbraw/zinc/06/52/63/426065263.db2.gz LFABGEITUHLUFN-SFHVURJKSA-N 0 0 317.385 2.629 50 0 DFAARN O=C(NC[C@]1(O)CCc2ccccc21)c1cc2ccccc2o1 ZINC000075155653 426065314 /nfs/dbraw/zinc/06/53/14/426065314.db2.gz XRXXOBPBFTYSEI-LJQANCHMSA-N 0 0 307.349 2.997 50 0 DFAARN Cc1cccc(NC(=O)[C@H](C)Sc2nnc(N)n2C(C)C)c1 ZINC000075147444 426065414 /nfs/dbraw/zinc/06/54/14/426065414.db2.gz VVUYREBMSSCYSY-NSHDSACASA-N 0 0 319.434 2.869 50 0 DFAARN COc1ccc(C)cc1NC(=O)c1coc(NC(=O)C2CC2)n1 ZINC000075157945 426065715 /nfs/dbraw/zinc/06/57/15/426065715.db2.gz HPYFIRYZLCEOAU-UHFFFAOYSA-N 0 0 315.329 2.592 50 0 DFAARN CSCC[C@@](C)(O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000075157487 426066210 /nfs/dbraw/zinc/06/62/10/426066210.db2.gz IORVOTCRJVGFLD-CYBMUJFWSA-N 0 0 321.364 2.939 50 0 DFAARN O=C(C[C@@H]1CCOc2ccccc21)NCC1(O)CCCCC1 ZINC000075209442 426067233 /nfs/dbraw/zinc/06/72/33/426067233.db2.gz MJBAYVWCBHXXNJ-AWEZNQCLSA-N 0 0 303.402 2.754 50 0 DFAARN COc1cc(F)c(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cc1F ZINC000162586599 426069568 /nfs/dbraw/zinc/06/95/68/426069568.db2.gz VMCXCUSLSNBYPC-QMMMGPOBSA-N 0 0 324.331 2.758 50 0 DFAARN CCCCNC(=O)[C@H]1CCCN(C(=O)c2[nH]c(C)c(C)c2C)C1 ZINC000075349541 426070583 /nfs/dbraw/zinc/07/05/83/426070583.db2.gz ZUFXUSSQNLGONV-HNNXBMFYSA-N 0 0 319.449 2.708 50 0 DFAARN COc1c([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)c(C)nn1C ZINC000072234308 426010573 /nfs/dbraw/zinc/01/05/73/426010573.db2.gz GLVXYRJMBCQDRF-ZIAGYGMSSA-N 0 0 303.406 2.757 50 0 DFAARN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)N1CC[C@@]2(CCOC2)C1 ZINC000108102371 426010831 /nfs/dbraw/zinc/01/08/31/426010831.db2.gz CQMOEPCIQQSSJX-LZLYRXPVSA-N 0 0 300.402 2.612 50 0 DFAARN COc1c([C@@H]2CCCN2C(=O)c2occc2C)c(C)nn1C ZINC000072234336 426010803 /nfs/dbraw/zinc/01/08/03/426010803.db2.gz XRSOXRZTIKOGOC-LBPRGKRZSA-N 0 0 303.362 2.616 50 0 DFAARN CCc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)s1 ZINC000072235296 426011184 /nfs/dbraw/zinc/01/11/84/426011184.db2.gz BYWBGGLQRBBDSP-ZDUSSCGKSA-N 0 0 318.446 2.996 50 0 DFAARN Cc1csc([C@@H]2CCCCN2C(=O)COc2cc(C)on2)n1 ZINC000072273752 426011627 /nfs/dbraw/zinc/01/16/27/426011627.db2.gz SSVOAXIXWXNWJP-LBPRGKRZSA-N 0 0 321.402 2.881 50 0 DFAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N(CCO)C1CC1 ZINC000072280716 426011925 /nfs/dbraw/zinc/01/19/25/426011925.db2.gz JGBLWPBSGPLAHV-UHFFFAOYSA-N 0 0 318.373 2.717 50 0 DFAARN Cc1nc(C)n(C[C@H]2CCCCN2c2cnc3ccccc3n2)n1 ZINC000072276514 426012002 /nfs/dbraw/zinc/01/20/02/426012002.db2.gz QYZSLHHWBMCIMG-OAHLLOKOSA-N 0 0 322.416 2.897 50 0 DFAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC([C@H](C)O)CC1 ZINC000072277783 426012225 /nfs/dbraw/zinc/01/22/25/426012225.db2.gz BNTMREZLNYCPLL-ZDUSSCGKSA-N 0 0 308.426 2.706 50 0 DFAARN NC(=O)c1csc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000072293698 426012557 /nfs/dbraw/zinc/01/25/57/426012557.db2.gz AYLOVFBWKAQALV-NEPJUHHUSA-N 0 0 320.801 2.786 50 0 DFAARN Cc1cnc(-c2cccc(NC(=O)N[C@@H]3CCC[C@@H]3O)c2)o1 ZINC000072292066 426012576 /nfs/dbraw/zinc/01/25/76/426012576.db2.gz GJHDWQFIWGPUAR-KGLIPLIRSA-N 0 0 301.346 2.685 50 0 DFAARN Cc1nnc([C@H](NC(=O)CCC(=O)c2ccccc2)C(C)C)[nH]1 ZINC000072293002 426012790 /nfs/dbraw/zinc/01/27/90/426012790.db2.gz QPCVBGJDXHINLO-MRXNPFEDSA-N 0 0 314.389 2.590 50 0 DFAARN Cc1nc(C(C)(C)NC(=O)c2cc(C(N)=O)cs2)sc1C ZINC000072290767 426013173 /nfs/dbraw/zinc/01/31/73/426013173.db2.gz QCJZJCQEMGDFLW-UHFFFAOYSA-N 0 0 323.443 2.585 50 0 DFAARN COC(=O)[C@@H](NC(=O)CCc1ccccc1)c1ccc(C)cc1 ZINC000072305479 426013627 /nfs/dbraw/zinc/01/36/27/426013627.db2.gz APVXHYATLMVBEE-SFHVURJKSA-N 0 0 311.381 2.958 50 0 DFAARN Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)[nH]1 ZINC000075349451 426071093 /nfs/dbraw/zinc/07/10/93/426071093.db2.gz RVVZJVGOKSZQLZ-OAHLLOKOSA-N 0 0 319.449 2.646 50 0 DFAARN O=S(=O)(CCCF)NCCCc1nc2ccccc2s1 ZINC000072307533 426014167 /nfs/dbraw/zinc/01/41/67/426014167.db2.gz YMTRRAKMBOAEOS-UHFFFAOYSA-N 0 0 316.423 2.508 50 0 DFAARN CCO[C@@H]1C[C@@H](NC(=O)COc2ccccc2C)C12CCC2 ZINC000072295476 426014235 /nfs/dbraw/zinc/01/42/35/426014235.db2.gz FIVFXGOULJDQBT-HZPDHXFCSA-N 0 0 303.402 2.838 50 0 DFAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)C2 ZINC000072295327 426014514 /nfs/dbraw/zinc/01/45/14/426014514.db2.gz JLXRZXBFMPTMME-XHSDSOJGSA-N 0 0 301.434 2.839 50 0 DFAARN CC(=O)OCCC(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000072313820 426014976 /nfs/dbraw/zinc/01/49/76/426014976.db2.gz GHJFUCSFTGMPCO-UHFFFAOYSA-N 0 0 303.280 2.617 50 0 DFAARN CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2coc3ccccc23)C1 ZINC000072314144 426016279 /nfs/dbraw/zinc/01/62/79/426016279.db2.gz ZLOULPVJDASMRJ-GHMZBOCLSA-N 0 0 308.355 2.555 50 0 DFAARN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@H]1CCO[C@@H]1C ZINC000108476456 426017588 /nfs/dbraw/zinc/01/75/88/426017588.db2.gz UHXCAZHCKZPLCJ-XPKDYRNWSA-N 0 0 303.402 2.656 50 0 DFAARN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccon1 ZINC000126399007 426018240 /nfs/dbraw/zinc/01/82/40/426018240.db2.gz ZUHGWWYAZXGNJZ-NSHDSACASA-N 0 0 305.765 2.727 50 0 DFAARN CNC(=O)[C@H]1CN(C(=O)c2cc(C)cc(C)c2)CC12CCCC2 ZINC000075876727 426087667 /nfs/dbraw/zinc/08/76/67/426087667.db2.gz QXUTWDFJTHEHHW-MRXNPFEDSA-N 0 0 314.429 2.682 50 0 DFAARN CC(C)(C)c1ccc([C@H](O)CNC(=O)C[C@@H]2CCCO2)cc1 ZINC000076016768 426093468 /nfs/dbraw/zinc/09/34/68/426093468.db2.gz WSRXCNBYVDAGIE-JKSUJKDBSA-N 0 0 305.418 2.703 50 0 DFAARN CCc1nc2sccc2c(Sc2nnnn2C(C)C)n1 ZINC000170590957 426137974 /nfs/dbraw/zinc/13/79/74/426137974.db2.gz NQOQHPIWDARNFB-UHFFFAOYSA-N 0 0 306.420 2.972 50 0 DFAARN CC1CCN(C(=O)c2ccc(NC[C@H]3CCC[C@@H]3O)nc2)CC1 ZINC000076061407 426096720 /nfs/dbraw/zinc/09/67/20/426096720.db2.gz GUVQPYIAWAYGGT-ZBFHGGJFSA-N 0 0 317.433 2.527 50 0 DFAARN CCOCC(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000076066868 426097921 /nfs/dbraw/zinc/09/79/21/426097921.db2.gz KXPPOZRGZRXIOJ-UHFFFAOYSA-N 0 0 311.794 2.757 50 0 DFAARN CSC1(CNC(=O)NCCc2cccc(C)c2)CCOCC1 ZINC000076085836 426098920 /nfs/dbraw/zinc/09/89/20/426098920.db2.gz UAGVUXAWJQGJKB-UHFFFAOYSA-N 0 0 322.474 2.749 50 0 DFAARN CN(C)c1cc(CNc2ncnc3nc[nH]c32)c2ccccc2n1 ZINC000076083635 426099361 /nfs/dbraw/zinc/09/93/61/426099361.db2.gz WTNVRMKFTHRLSQ-UHFFFAOYSA-N 0 0 319.372 2.579 50 0 DFAARN COCc1ccccc1CNC(=O)CN1CCc2ccccc2C1 ZINC000076411326 426110686 /nfs/dbraw/zinc/11/06/86/426110686.db2.gz BYCOXXCKHIOVLK-UHFFFAOYSA-N 0 0 324.424 2.508 50 0 DFAARN Cc1oncc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000128441414 426117816 /nfs/dbraw/zinc/11/78/16/426117816.db2.gz MTLHJOJEGQSESW-CQSZACIVSA-N 0 0 301.394 2.638 50 0 DFAARN O=C(NCC[C@@H](O)c1cccs1)Nc1ccc2c(c1)OCO2 ZINC000077116032 426119075 /nfs/dbraw/zinc/11/90/75/426119075.db2.gz APKBIJSGHTVAGI-LLVKDONJSA-N 0 0 320.370 2.722 50 0 DFAARN COc1cc(OC)cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000113886731 426121705 /nfs/dbraw/zinc/12/17/05/426121705.db2.gz UFMYRJFDIJRVTN-INIZCTEOSA-N 0 0 315.373 2.794 50 0 DFAARN O=C1N(c2ccccc2)C[C@H]2CN(Cc3ccccc3)CCN12 ZINC000077266467 426124615 /nfs/dbraw/zinc/12/46/15/426124615.db2.gz FUYNQEVISSWZMZ-GOSISDBHSA-N 0 0 307.397 2.813 50 0 biogenic,in-vitro DFAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)C[C@@H]1COCCO1 ZINC000077301357 426125777 /nfs/dbraw/zinc/12/57/77/426125777.db2.gz RREOWBAWLXSTRU-CQSZACIVSA-N 0 0 317.385 2.845 50 0 DFAARN CCOC(=O)c1cn(C2CC2)c2cc(F)c(OC)cc2c1=O ZINC000077286236 426126153 /nfs/dbraw/zinc/12/61/53/426126153.db2.gz POYBYZOYVNBQLZ-UHFFFAOYSA-N 0 0 305.305 2.661 50 0 in-vitro DFAARN Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)cc1 ZINC000077355697 426129566 /nfs/dbraw/zinc/12/95/66/426129566.db2.gz PYLCFMKCPFFOCN-OAHLLOKOSA-N 0 0 313.401 2.660 50 0 DFAARN CC(C)c1nc(CN(C)Cc2ccc3nsnc3c2)no1 ZINC000077356851 426129630 /nfs/dbraw/zinc/12/96/30/426129630.db2.gz KZEKGFDZVFAEQM-UHFFFAOYSA-N 0 0 303.391 2.830 50 0 DFAARN O=C(CCCc1ccc(Cl)cc1)NCCc1cnccn1 ZINC000077378320 426130973 /nfs/dbraw/zinc/13/09/73/426130973.db2.gz UXDOSLWNDHKBBM-UHFFFAOYSA-N 0 0 303.793 2.812 50 0 DFAARN Cc1cc(C(=O)NCCCn2ccnn2)c2ccc(C)c(C)c2n1 ZINC000077406166 426131338 /nfs/dbraw/zinc/13/13/38/426131338.db2.gz UGUAFYBXGABMAX-UHFFFAOYSA-N 0 0 323.400 2.572 50 0 DFAARN Cc1cccc(SC2CCN(C(=O)Cn3ccnc3)CC2)c1 ZINC000077407733 426131743 /nfs/dbraw/zinc/13/17/43/426131743.db2.gz IHGBMXPOBHPYIF-UHFFFAOYSA-N 0 0 315.442 2.975 50 0 DFAARN CC(C)SCC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077454323 426134195 /nfs/dbraw/zinc/13/41/95/426134195.db2.gz UXWQWBVVLPTVCX-KRWDZBQOSA-N 0 0 321.486 2.970 50 0 DFAARN CCCCc1nc(-c2nccn2[C@H]2COC[C@@H]2OCC)c[nH]1 ZINC000077440333 426134443 /nfs/dbraw/zinc/13/44/43/426134443.db2.gz IIXTWKVAGMXNJQ-KBPBESRZSA-N 0 0 304.394 2.592 50 0 DFAARN CCCc1n[nH]cc1C(=O)N1CCC([C@H](O)CC(C)C)CC1 ZINC000077439975 426134508 /nfs/dbraw/zinc/13/45/08/426134508.db2.gz ISFWHJKVWFRTPC-MRXNPFEDSA-N 0 0 307.438 2.621 50 0 DFAARN COc1ccc(/C=C/CN2CCN(c3cccnc3)CC2)cc1 ZINC000077456502 426134760 /nfs/dbraw/zinc/13/47/60/426134760.db2.gz LVFRTEGPIWHUQA-ONEGZZNKSA-N 0 0 309.413 2.926 50 0 DFAARN CCCc1cc(C(=O)NCc2sc(C)nc2CC)n(C)n1 ZINC000077469908 426135661 /nfs/dbraw/zinc/13/56/61/426135661.db2.gz BNPNCQQRFPEMPZ-UHFFFAOYSA-N 0 0 306.435 2.630 50 0 DFAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccnc1SC ZINC000077470747 426135724 /nfs/dbraw/zinc/13/57/24/426135724.db2.gz IQPUJAWROGHRGQ-GFCCVEGCSA-N 0 0 322.430 2.751 50 0 DFAARN COc1ccccc1OC1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000077471419 426135748 /nfs/dbraw/zinc/13/57/48/426135748.db2.gz YOYWIMVITLVTPQ-SFHVURJKSA-N 0 0 319.401 2.634 50 0 DFAARN Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 ZINC000077504661 426136876 /nfs/dbraw/zinc/13/68/76/426136876.db2.gz RJQXDNXQXMXFJQ-ZDUSSCGKSA-N 0 0 318.377 2.704 50 0 DFAARN COC(=O)c1[nH]c(C)c(CN(C)C(=O)c2ccccc2F)c1C ZINC000075475751 426074345 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426139207 /nfs/dbraw/zinc/13/92/07/426139207.db2.gz RVOLRUFGLHDYQJ-SNVBAGLBSA-N 0 0 310.369 2.714 50 0 DFAARN COC(=O)CCCC(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000077564442 426139554 /nfs/dbraw/zinc/13/95/54/426139554.db2.gz PLIPOKFUYUEODV-UHFFFAOYSA-N 0 0 323.364 2.539 50 0 DFAARN COCCc1cc(NC(=O)Nc2cc(C)ccc2C)n(C)n1 ZINC000170604540 426139651 /nfs/dbraw/zinc/13/96/51/426139651.db2.gz DVGUFRZYFIXBOP-UHFFFAOYSA-N 0 0 302.378 2.870 50 0 DFAARN O=C(CCOCC(F)(F)C(F)F)N1CCc2ccccc21 ZINC000170610882 426139864 /nfs/dbraw/zinc/13/98/64/426139864.db2.gz WGKFEGCGSDLBQQ-UHFFFAOYSA-N 0 0 305.271 2.883 50 0 DFAARN CC(C)Cn1ncnc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000170614900 426140112 /nfs/dbraw/zinc/14/01/12/426140112.db2.gz KONWVFHOTIXTOT-UHFFFAOYSA-N 0 0 305.407 2.599 50 0 DFAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc([S@](C)=O)cc1 ZINC000170621301 426140186 /nfs/dbraw/zinc/14/01/86/426140186.db2.gz NQBOFHVMVPFCOG-XNVILDLWSA-N 0 0 323.458 2.749 50 0 DFAARN COCCN(CC(F)(F)F)C(=O)N1CCc2ccccc21 ZINC000170615141 426140200 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2.559 50 0 DFAARN CCCOc1cccc(C(=O)OCc2nncn2C2CC2)c1 ZINC000089492049 426294168 /nfs/dbraw/zinc/29/41/68/426294168.db2.gz PKAYKFNQFSQMOR-UHFFFAOYSA-N 0 0 301.346 2.759 50 0 DFAARN COc1cccc(OC)c1C(=O)NC[C@H](C)c1c(C)noc1C ZINC000089526270 426295477 /nfs/dbraw/zinc/29/54/77/426295477.db2.gz GVXXEHDUFCAREH-JTQLQIEISA-N 0 0 318.373 2.842 50 0 DFAARN Cc1cc(C)c(CNc2nc3ccccc3cc2CO)c(=O)[nH]1 ZINC000089568562 426296889 /nfs/dbraw/zinc/29/68/89/426296889.db2.gz LUCHBBYKGHZHJP-UHFFFAOYSA-N 0 0 309.369 2.644 50 0 DFAARN Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)[nH]1 ZINC000089568597 426297086 /nfs/dbraw/zinc/29/70/86/426297086.db2.gz XWQDBWXZHJTILZ-ZDUSSCGKSA-N 0 0 321.421 2.665 50 0 DFAARN COCCNc1ccccc1CNC(=O)N[C@@H](C)C(C)(C)C ZINC000089598313 426297479 /nfs/dbraw/zinc/29/74/79/426297479.db2.gz VGGMUJOARPCONB-ZDUSSCGKSA-N 0 0 307.438 2.979 50 0 DFAARN COCc1c(Cl)cccc1NC(=O)CNC(=O)C(C)(C)C ZINC000089621314 426298690 /nfs/dbraw/zinc/29/86/90/426298690.db2.gz PPUFJUQHHPMKTJ-UHFFFAOYSA-N 0 0 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Cc1ccc(N2c3ncccc3S(=O)(=O)N=C2C)c(F)c1 ZINC000065255423 278824505 /nfs/dbraw/zinc/82/45/05/278824505.db2.gz BJDIZWIGBXHZKP-UHFFFAOYSA-N 0 0 305.334 2.788 50 0 DFAARN Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000097100616 279057218 /nfs/dbraw/zinc/05/72/18/279057218.db2.gz YVTFIOGCAOMBCV-ZETCQYMHSA-N 0 0 318.402 2.744 50 0 DFAARN Cc1nc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C)cs1 ZINC000257173758 279070554 /nfs/dbraw/zinc/07/05/54/279070554.db2.gz WMKJILBVQYDDJK-UHFFFAOYSA-N 0 0 315.398 2.958 50 0 DFAARN CC(C)C[C@H](C)NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000095440837 279106668 /nfs/dbraw/zinc/10/66/68/279106668.db2.gz COVCMKRNPYEBFZ-ZNMIVQPWSA-N 0 0 324.421 2.548 50 0 DFAARN Cc1nn(C(=O)OC(C)(C)C)c(C)c1I ZINC000005177608 279186655 /nfs/dbraw/zinc/18/66/55/279186655.db2.gz BUHPTZHNAXELNA-UHFFFAOYSA-N 0 0 322.146 2.888 50 0 DFAARN CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]2[C@@H]1C ZINC000020467333 279489546 /nfs/dbraw/zinc/48/95/46/279489546.db2.gz 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280033436 /nfs/dbraw/zinc/03/34/36/280033436.db2.gz CTNSJAOTHFWUGC-UHFFFAOYSA-N 0 0 316.744 2.800 50 0 DFAARN CCS[C@@H]1CCCCN(C(=O)c2cccnc2N(C)C)C1 ZINC000071899374 280042405 /nfs/dbraw/zinc/04/24/05/280042405.db2.gz RNPGCDKBVGYHJO-CYBMUJFWSA-N 0 0 307.463 2.895 50 0 DFAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000013947234 288199861 /nfs/dbraw/zinc/19/98/61/288199861.db2.gz HNDGLYOTAXPXMC-LBPRGKRZSA-N 0 0 313.419 2.657 50 0 DFAARN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCCc2ccccc21 ZINC000014240188 280117341 /nfs/dbraw/zinc/11/73/41/280117341.db2.gz WWBMRYYLJSHCER-KRWDZBQOSA-N 0 0 307.349 2.748 50 0 DFAARN Cc1c2cc(F)ccc2oc1C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000071829794 280264530 /nfs/dbraw/zinc/26/45/30/280264530.db2.gz QKDCKUZLMMMUFY-ONGXEEELSA-N 0 0 318.348 2.606 50 0 DFAARN C[C@@H]1CN(S(=O)(=O)C2CCOCC2)CC[C@@H]1c1ccccc1 ZINC000096428476 288227523 /nfs/dbraw/zinc/22/75/23/288227523.db2.gz LYOXEJFONZKWDK-PBHICJAKSA-N 0 0 323.458 2.621 50 0 DFAARN 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426274859 /nfs/dbraw/zinc/27/48/59/426274859.db2.gz MZYBRZRFFOOPCF-UONOGXRCSA-N 0 0 315.417 2.724 50 0 DFAARN CC[C@]1(C)CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CCO1 ZINC000135294556 426212302 /nfs/dbraw/zinc/21/23/02/426212302.db2.gz WVCORINKBHOIPR-OAHLLOKOSA-N 0 0 323.393 2.632 50 0 DFAARN CO[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000089409585 426289013 /nfs/dbraw/zinc/28/90/13/426289013.db2.gz IWSHDUHKXSFKAY-PMPSAXMXSA-N 0 0 303.358 2.680 50 0 DFAARN COC[C@H]1CN(c2nc(-c3ccc(F)cc3)cs2)CCO1 ZINC000089409987 426289122 /nfs/dbraw/zinc/28/91/22/426289122.db2.gz JYAQZTICPRXHFZ-CYBMUJFWSA-N 0 0 308.378 2.801 50 0 DFAARN CO[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000089409591 426289495 /nfs/dbraw/zinc/28/94/95/426289495.db2.gz IWSHDUHKXSFKAY-OAGGEKHMSA-N 0 0 303.358 2.680 50 0 DFAARN COc1cccc(OC)c1C(=O)NC[C@@H](C)c1c(C)noc1C ZINC000089526271 426295647 /nfs/dbraw/zinc/29/56/47/426295647.db2.gz GVXXEHDUFCAREH-SNVBAGLBSA-N 0 0 318.373 2.842 50 0 DFAARN 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426403625 /nfs/dbraw/zinc/40/36/25/426403625.db2.gz UABUBINVKVJPMM-NSHDSACASA-N 0 0 304.346 2.896 50 0 DFAARN Cc1cc(C(=O)NC[C@@H](CO)Cc2ccco2)c2ccccc2n1 ZINC000096163447 426403711 /nfs/dbraw/zinc/40/37/11/426403711.db2.gz LEFRVMUXERCTGI-AWEZNQCLSA-N 0 0 324.380 2.717 50 0 DFAARN CCN(CCC(=O)OC)C(=O)/C=C\c1cccc2cccnc12 ZINC000096179366 426403882 /nfs/dbraw/zinc/40/38/82/426403882.db2.gz AZUTXXASOCZAMM-KTKRTIGZSA-N 0 0 312.369 2.660 50 0 DFAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1 ZINC000096192060 426406852 /nfs/dbraw/zinc/40/68/52/426406852.db2.gz LWTKSDRUALUWKW-GJZGRUSLSA-N 0 0 310.397 2.956 50 0 DFAARN Cc1nc(C(=O)N2CCCCC2)cc(N2CCC[C@@H](C)C2)n1 ZINC000096182837 426404342 /nfs/dbraw/zinc/40/43/42/426404342.db2.gz AZGAGSMTVADNBS-CYBMUJFWSA-N 0 0 302.422 2.647 50 0 DFAARN CNC(=O)c1cnc(/C=C\c2cccc(OCCOC)c2)s1 ZINC000096189884 426404553 /nfs/dbraw/zinc/40/45/53/426404553.db2.gz IYCXGPHIBOKKTH-SREVYHEPSA-N 0 0 318.398 2.698 50 0 DFAARN COc1cc(C)cc(OC)c1-c1cc(C)ccc1OCC(N)=O 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CCOc1cc(NC(=O)NCc2ncoc2C)ccc1OC ZINC000092733524 185337059 /nfs/dbraw/zinc/33/70/59/185337059.db2.gz IXLCIKJGERUXFI-UHFFFAOYSA-N 0 0 305.334 2.712 50 0 DFAARN COc1cc(CNC(=O)c2ccccc2F)cc(OC)c1OC ZINC000008361646 190632065 /nfs/dbraw/zinc/63/20/65/190632065.db2.gz BYKXEFQXYKZHRK-UHFFFAOYSA-N 0 0 319.332 2.782 50 0 DFAARN CSCc1ccc(N2CCC(CN3CCCC3=O)CC2)nc1 ZINC000082136888 192360812 /nfs/dbraw/zinc/36/08/12/192360812.db2.gz MEDIEBVDCZNGNI-UHFFFAOYSA-N 0 0 319.474 2.783 50 0 DFAARN CC(C)n1cnnc1CN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC000082134738 192361196 /nfs/dbraw/zinc/36/11/96/192361196.db2.gz KNKPNTMOMXVHHA-HNNXBMFYSA-N 0 0 312.417 2.938 50 0 DFAARN C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccco1 ZINC000008360475 190631721 /nfs/dbraw/zinc/63/17/21/190631721.db2.gz XETIYTDQNZVIFX-CYBMUJFWSA-N 0 0 312.369 2.826 50 0 DFAARN COc1ccc(CCS(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000096997423 185395619 /nfs/dbraw/zinc/39/56/19/185395619.db2.gz NPZWVGAWESQXEV-UHFFFAOYSA-N 0 0 308.374 2.992 50 0 DFAARN 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ZINC000071883306 425999124 /nfs/dbraw/zinc/99/91/24/425999124.db2.gz HKXLHDYVTDAUCF-OWCLPIDISA-N 0 0 324.465 2.632 50 0 DFAARN COCc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000071882814 425999307 /nfs/dbraw/zinc/99/93/07/425999307.db2.gz UASZXAVZZOMOKS-QGZVFWFLSA-N 0 0 310.397 2.842 50 0 DFAARN CSc1ccc(C)c(C(=O)NCCc2nncn2C2CC2)c1 ZINC000071893202 425999781 /nfs/dbraw/zinc/99/97/81/425999781.db2.gz ITBUDXQFEOLVLD-UHFFFAOYSA-N 0 0 316.430 2.616 50 0 DFAARN CC(C)(C)OC(=O)NCC(=O)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000071888343 425999839 /nfs/dbraw/zinc/99/98/39/425999839.db2.gz OXVHBTUTDHVAJA-HNNXBMFYSA-N 0 0 322.380 2.918 50 0 DFAARN Cc1cc2ncn(C[C@H](O)CSc3nccn3C)c2cc1C ZINC000071948333 426006132 /nfs/dbraw/zinc/00/61/32/426006132.db2.gz GOZIEMBPGINSLP-ZDUSSCGKSA-N 0 0 316.430 2.540 50 0 DFAARN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCN1CCCC1=O ZINC000071897387 426000965 /nfs/dbraw/zinc/00/09/65/426000965.db2.gz INGVWRQLQBZBHW-CZUORRHYSA-N 0 0 322.836 2.724 50 0 DFAARN CC(C)(CNC(=O)[C@H]1CC=CCC1)CNC(=O)[C@@H]1CC=CCC1 ZINC000071896527 426001172 /nfs/dbraw/zinc/00/11/72/426001172.db2.gz JXFGJEUMIRRDGU-IYBDPMFKSA-N 0 0 318.461 2.958 50 0 DFAARN C/C(=C/C(=O)NCCCc1cnn(C)c1)c1cccc(F)c1 ZINC000071894130 426001304 /nfs/dbraw/zinc/00/13/04/426001304.db2.gz YCGBMLZEDNUULM-LCYFTJDESA-N 0 0 301.365 2.712 50 0 DFAARN Cc1cc(C)n(C[C@H](C)NC(=O)CO[C@H]2CCCC[C@@H]2C)n1 ZINC000071903810 426001941 /nfs/dbraw/zinc/00/19/41/426001941.db2.gz CWXRTDOLHWOITP-NOLJZWGESA-N 0 0 307.438 2.600 50 0 DFAARN C[C@H](Cn1ccnc1)NC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000071903014 426002203 /nfs/dbraw/zinc/00/22/03/426002203.db2.gz GSGWKPLRLZDKRY-GFCCVEGCSA-N 0 0 321.808 2.899 50 0 DFAARN O=C(/C=C/c1ccncc1)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000071904013 426002521 /nfs/dbraw/zinc/00/25/21/426002521.db2.gz UVNVYFOGJCNPAR-DUMMIQTOSA-N 0 0 323.396 2.698 50 0 DFAARN O=C1OCC[C@H]1NCC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000071902587 426002564 /nfs/dbraw/zinc/00/25/64/426002564.db2.gz YRQHOPKRYYSQAU-CQSZACIVSA-N 0 0 317.385 2.522 50 0 DFAARN CSC[C@@H](C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000071908881 426003097 /nfs/dbraw/zinc/00/30/97/426003097.db2.gz MVHXIOKXGDYTEN-ZWNOBZJWSA-N 0 0 316.417 2.683 50 0 DFAARN O=C(N[C@@H](c1nnn([C@H]2C=CCCC2)n1)C1CC1)c1ccccc1 ZINC000071911000 426003409 /nfs/dbraw/zinc/00/34/09/426003409.db2.gz IKUXWTOVLJAWRG-JKSUJKDBSA-N 0 0 323.400 2.835 50 0 DFAARN C[C@H](CCNC(=O)NCC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000071914975 426004398 /nfs/dbraw/zinc/00/43/98/426004398.db2.gz GOTYRLRVISFKEZ-YPMHNXCESA-N 0 0 318.339 2.793 50 0 DFAARN CC(=O)N1CCC(C(=O)N2CC[C@H](c3ccccc3C)C2)CC1 ZINC000069419650 425939553 /nfs/dbraw/zinc/93/95/53/425939553.db2.gz QRSRPUAQZGAUJX-KRWDZBQOSA-N 0 0 314.429 2.569 50 0 DFAARN O=C(Nc1ccc(F)c(F)c1)N[C@H]1c2ccccc2C[C@H]1O ZINC000069441685 425939605 /nfs/dbraw/zinc/93/96/05/425939605.db2.gz SMANNMPTSXYYCD-CABCVRRESA-N 0 0 304.296 2.745 50 0 DFAARN COC(=O)c1cccc(OCC(=O)N(C)Cc2ccsc2)c1 ZINC000069419667 425939830 /nfs/dbraw/zinc/93/98/30/425939830.db2.gz RLTLVBCTBQTVKA-UHFFFAOYSA-N 0 0 319.382 2.572 50 0 DFAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000069458813 425940297 /nfs/dbraw/zinc/94/02/97/425940297.db2.gz FTXGCIFCKDVHFT-JQAFLVLXSA-N 0 0 315.392 2.952 50 0 DFAARN COC(=O)[C@@H](NC(=O)c1ccccc1)c1cc(F)ccc1F ZINC000069453806 425940465 /nfs/dbraw/zinc/94/04/65/425940465.db2.gz CKSGGGYSMNMEJA-AWEZNQCLSA-N 0 0 305.280 2.609 50 0 DFAARN CC(C)C(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1 ZINC000069453001 425940486 /nfs/dbraw/zinc/94/04/86/425940486.db2.gz LGNLQUWRMRFUPF-UHFFFAOYSA-N 0 0 323.462 2.977 50 0 DFAARN C[C@@H](C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000071920743 426004514 /nfs/dbraw/zinc/00/45/14/426004514.db2.gz GLOOTYGTMQRGAB-KBPBESRZSA-N 0 0 323.458 2.809 50 0 DFAARN CCCC(=O)NCCc1ccc(I)s1 ZINC000069463420 425941758 /nfs/dbraw/zinc/94/17/58/425941758.db2.gz CKJAAFCKQJXRQT-UHFFFAOYSA-N 0 0 323.199 2.812 50 0 DFAARN CN(C(=O)c1ccc(F)cc1)C1CCN(c2ccccn2)CC1 ZINC000069485065 425942144 /nfs/dbraw/zinc/94/21/44/425942144.db2.gz DUSPLKYOWJOTJK-UHFFFAOYSA-N 0 0 313.376 2.962 50 0 DFAARN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(C)c1 ZINC000069508033 425944526 /nfs/dbraw/zinc/94/45/26/425944526.db2.gz PNERHTVPRWJDEM-IBGZPJMESA-N 0 0 322.408 2.585 50 0 DFAARN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000069510355 425944735 /nfs/dbraw/zinc/94/47/35/425944735.db2.gz NUGSOFVINGQMDK-JKSUJKDBSA-N 0 0 314.429 2.926 50 0 DFAARN CC(=O)N(C)CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000069535747 425946456 /nfs/dbraw/zinc/94/64/56/425946456.db2.gz VJPRYKZRWVKZGI-VIFPVBQESA-N 0 0 317.216 2.691 50 0 DFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCSc2ccncc21 ZINC000124952801 425946996 /nfs/dbraw/zinc/94/69/96/425946996.db2.gz SLHBWHKAVJVWDV-GFCCVEGCSA-N 0 0 300.383 2.988 50 0 DFAARN C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C1 ZINC000069570481 425947431 /nfs/dbraw/zinc/94/74/31/425947431.db2.gz HFHBRBNKKAFHJB-HOCLYGCPSA-N 0 0 315.417 2.941 50 0 DFAARN O=C(/C=C/c1ccco1)NCCc1nc2c(s1)CCCC2 ZINC000069588586 425947860 /nfs/dbraw/zinc/94/78/60/425947860.db2.gz DHNXGMULWWWDEQ-BQYQJAHWSA-N 0 0 302.399 2.987 50 0 DFAARN CCCn1ccc2ccc(NC(=O)NCC(C)(C)C(N)=O)cc21 ZINC000071920101 426004682 /nfs/dbraw/zinc/00/46/82/426004682.db2.gz AZTFUVFUZDXOFT-UHFFFAOYSA-N 0 0 316.405 2.684 50 0 DFAARN Cc1cc(CNC(=O)NCCc2nc(C(C)(C)C)cs2)on1 ZINC000069584046 425948326 /nfs/dbraw/zinc/94/83/26/425948326.db2.gz AMVDBEGJPXAROL-UHFFFAOYSA-N 0 0 322.434 2.779 50 0 DFAARN NC(=O)C[C@@H]1CCCCN1C(=O)Cc1cccc2ccccc21 ZINC000069583415 425948341 /nfs/dbraw/zinc/94/83/41/425948341.db2.gz WWFPAAIPFVBOMC-INIZCTEOSA-N 0 0 310.397 2.639 50 0 DFAARN C[C@@](CO)(NCc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000069615883 425948699 /nfs/dbraw/zinc/94/86/99/425948699.db2.gz IMIUFQJIYHQLRI-INIZCTEOSA-N 0 0 315.398 2.795 50 0 DFAARN Cc1ncc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000069615419 425949241 /nfs/dbraw/zinc/94/92/41/425949241.db2.gz FXCUELNVDHLURV-CQSZACIVSA-N 0 0 302.399 2.883 50 0 DFAARN Cc1nccn1[C@H]1CCCN(C(=O)CCCc2ccccn2)C1 ZINC000069631926 425950307 /nfs/dbraw/zinc/95/03/07/425950307.db2.gz UYGGTKUWWASNHD-KRWDZBQOSA-N 0 0 312.417 2.773 50 0 DFAARN COc1cccc(NC(=O)NC2(c3noc(C)n3)CCCC2)c1 ZINC000069633154 425950349 /nfs/dbraw/zinc/95/03/49/425950349.db2.gz JHPMADJACLWACV-UHFFFAOYSA-N 0 0 316.361 2.978 50 0 DFAARN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc[nH]1 ZINC000069620400 425951032 /nfs/dbraw/zinc/95/10/32/425951032.db2.gz MXHLRKLHOSZSBF-UHFFFAOYSA-N 0 0 303.337 2.643 50 0 DFAARN Cc1nc(C)n(C[C@H]2CCCN2Cc2cccc(F)c2F)n1 ZINC000069624536 425951190 /nfs/dbraw/zinc/95/11/90/425951190.db2.gz YOUMBQQXRLPFKR-CQSZACIVSA-N 0 0 306.360 2.838 50 0 DFAARN NC(=O)C[C@@H]1CCCCN1C(=O)CCSc1ccccc1F ZINC000069669041 425953274 /nfs/dbraw/zinc/95/32/74/425953274.db2.gz KIESMQAYWCYTGG-LBPRGKRZSA-N 0 0 324.421 2.564 50 0 DFAARN CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000069665656 425953284 /nfs/dbraw/zinc/95/32/84/425953284.db2.gz MZYZDSWCGORJHD-CQSZACIVSA-N 0 0 321.377 2.898 50 0 DFAARN CCN(Cc1ccoc1)C(=O)NCc1cccc(NC(C)=O)c1 ZINC000069663761 425953433 /nfs/dbraw/zinc/95/34/33/425953433.db2.gz KZWMFXBAWGQTQP-UHFFFAOYSA-N 0 0 315.373 2.970 50 0 DFAARN Cc1nc(C)n(C[C@H]2CCCN(c3nc4ccccc4o3)C2)n1 ZINC000069698103 425953448 /nfs/dbraw/zinc/95/34/48/425953448.db2.gz WQAUTEUKMVECIV-AWEZNQCLSA-N 0 0 311.389 2.953 50 0 DFAARN O=S(=O)(CCSC[C@@H](O)c1ccccc1)c1ccccc1 ZINC000069739266 425954875 /nfs/dbraw/zinc/95/48/75/425954875.db2.gz YJWQDAMVXBSLDA-MRXNPFEDSA-N 0 0 322.451 2.927 50 0 DFAARN Cc1noc(C)c1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000069740875 425955776 /nfs/dbraw/zinc/95/57/76/425955776.db2.gz FGQDFIYARBINMX-GFCCVEGCSA-N 0 0 309.753 2.800 50 0 DFAARN Cn1cc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)cn1 ZINC000069740440 425955828 /nfs/dbraw/zinc/95/58/28/425955828.db2.gz UOSNESRUSZSSOI-LBPRGKRZSA-N 0 0 315.402 2.869 50 0 DFAARN Cc1cccc(N2CCN(Cc3nnc(C4CCC4)o3)CC2)c1 ZINC000069739290 425955884 /nfs/dbraw/zinc/95/58/84/425955884.db2.gz QAAOEXICGVICAL-UHFFFAOYSA-N 0 0 312.417 2.968 50 0 DFAARN Cc1nc(CN2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)cs1 ZINC000069773947 425956369 /nfs/dbraw/zinc/95/63/69/425956369.db2.gz LLAZCJLOWPDQIR-OAHLLOKOSA-N 0 0 319.474 2.842 50 0 DFAARN CC(C)n1cnnc1CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000069777037 425956565 /nfs/dbraw/zinc/95/65/65/425956565.db2.gz LFOTVLVUNQATJS-UHFFFAOYSA-N 0 0 316.380 2.736 50 0 DFAARN C[C@H]([C@H](C)NCc1nc(Cc2ccccc2)no1)n1cccn1 ZINC000069777816 425957197 /nfs/dbraw/zinc/95/71/97/425957197.db2.gz NGGYONIAXBWXQX-UONOGXRCSA-N 0 0 311.389 2.596 50 0 DFAARN Cc1ccn2cc(C(=O)N3CCCC[C@H]3Cn3cccn3)nc2c1 ZINC000069779479 425957675 /nfs/dbraw/zinc/95/76/75/425957675.db2.gz AMCRWCAECQKCOL-HNNXBMFYSA-N 0 0 323.400 2.534 50 0 DFAARN Cc1ccc2oc(C(=O)N3CCC[C@H]3Cn3cccn3)cc2n1 ZINC000069779485 425958086 /nfs/dbraw/zinc/95/80/86/425958086.db2.gz UISGQQXWFFAUSG-ZDUSSCGKSA-N 0 0 310.357 2.638 50 0 DFAARN CNC(=O)[C@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000069814896 425958946 /nfs/dbraw/zinc/95/89/46/425958946.db2.gz CZKNSSAMBNSCHN-OAHLLOKOSA-N 0 0 320.339 2.865 50 0 DFAARN Cc1ccc(-c2cc(C(=O)Nc3ncccc3O)n[nH]2)s1 ZINC000069843800 425960175 /nfs/dbraw/zinc/96/01/75/425960175.db2.gz SVPILXHBRJHGSL-UHFFFAOYSA-N 0 0 300.343 2.800 50 0 DFAARN CCCNC(=O)[C@H](C)[S@@](=O)Cc1c(F)cccc1Cl ZINC000069817291 425960278 /nfs/dbraw/zinc/96/02/78/425960278.db2.gz SKFZNIXGUCKVJM-ZRNGKTOUSA-N 0 0 305.802 2.643 50 0 DFAARN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000069848691 425961257 /nfs/dbraw/zinc/96/12/57/425961257.db2.gz RYGLBSYEBUBHQE-GFCCVEGCSA-N 0 0 306.797 2.904 50 0 DFAARN COc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1Cl ZINC000069896889 425962281 /nfs/dbraw/zinc/96/22/81/425962281.db2.gz DKDKGEYXNABLGN-LLVKDONJSA-N 0 0 319.810 2.659 50 0 DFAARN Cc1cc(CN2CCN(C(=O)C[C@H]3CCC[C@H](C)C3)CC2)on1 ZINC000069922495 425962351 /nfs/dbraw/zinc/96/23/51/425962351.db2.gz ZXIANRSKUWEAAX-HOCLYGCPSA-N 0 0 319.449 2.844 50 0 DFAARN Cc1ccc(NC2CCN(C(=O)C[C@H]3C=CCC3)CC2)nn1 ZINC000069924423 425962414 /nfs/dbraw/zinc/96/24/14/425962414.db2.gz JQYHRCWXBYDTIB-AWEZNQCLSA-N 0 0 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307.438 2.979 50 0 DFAARN Cc1cc(CNC(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)no1 ZINC000089604886 426299168 /nfs/dbraw/zinc/29/91/68/426299168.db2.gz PRLGWJLDKICDAD-XJKSGUPXSA-N 0 0 315.373 2.655 50 0 DFAARN CC(C)(C)C[C@@H](CO)NC(=O)c1csc(-c2ccoc2)n1 ZINC000089643004 426300129 /nfs/dbraw/zinc/30/01/29/426300129.db2.gz AHILEYZMKXJZBR-NSHDSACASA-N 0 0 308.403 2.930 50 0 DFAARN Cc1cccc([C@H](NC(=O)NCc2ncnn2C)C(C)(C)C)c1 ZINC000089669076 426301885 /nfs/dbraw/zinc/30/18/85/426301885.db2.gz DQLPVGNCXLVAQH-HNNXBMFYSA-N 0 0 315.421 2.710 50 0 DFAARN Cc1cnc(CCNS(=O)(=O)C[C@H](C)c2ccccc2)s1 ZINC000089702416 426303991 /nfs/dbraw/zinc/30/39/91/426303991.db2.gz USLBROCKPTWQQE-LBPRGKRZSA-N 0 0 324.471 2.717 50 0 DFAARN Cn1nccc1COC(=O)c1cc(F)c(Cl)nc1Cl ZINC000089741135 426305567 /nfs/dbraw/zinc/30/55/67/426305567.db2.gz FZAHRHMUQDOLAD-UHFFFAOYSA-N 0 0 304.108 2.618 50 0 DFAARN Cn1c(=O)oc2c1cccc2NC(=O)Cc1ccccc1Cl ZINC000089749532 426305734 /nfs/dbraw/zinc/30/57/34/426305734.db2.gz GKGBRRSGIJCLIX-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/31/26/90/426312690.db2.gz HTSSJBWYZNCVMB-UHFFFAOYSA-N 0 0 314.385 2.551 50 0 DFAARN CC(C)Cc1nnc(NC(=O)CN(C)[C@@H](C)c2ccco2)s1 ZINC000089856611 426313697 /nfs/dbraw/zinc/31/36/97/426313697.db2.gz PXLQMXWPLBKWLN-NSHDSACASA-N 0 0 322.434 2.961 50 0 DFAARN O=[S@](CCn1cccn1)Cc1csc(Br)c1 ZINC000089885034 426315360 /nfs/dbraw/zinc/31/53/60/426315360.db2.gz GXXMIALQGDAOLS-INIZCTEOSA-N 0 0 319.249 2.656 50 0 DFAARN COc1ccccc1CC(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000089894965 426316184 /nfs/dbraw/zinc/31/61/84/426316184.db2.gz SOKJJMORRBSDJD-RHSMWYFYSA-N 0 0 313.397 2.866 50 0 DFAARN C[C@H](CC[C@H]1CCCO1)NC(=O)CSCc1cscn1 ZINC000089895339 426316321 /nfs/dbraw/zinc/31/63/21/426316321.db2.gz FJLLWHWZAJCSEB-DGCLKSJQSA-N 0 0 314.476 2.840 50 0 DFAARN COc1ccccc1CC(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000089894963 426316355 /nfs/dbraw/zinc/31/63/55/426316355.db2.gz SOKJJMORRBSDJD-PBHICJAKSA-N 0 0 313.397 2.866 50 0 DFAARN C[C@@H](CC[C@@H]1CCCO1)NC(=O)CSCc1cscn1 ZINC000089895331 426316491 /nfs/dbraw/zinc/31/64/91/426316491.db2.gz FJLLWHWZAJCSEB-AAEUAGOBSA-N 0 0 314.476 2.840 50 0 DFAARN CC(C)c1cc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)no1 ZINC000089893349 426316736 /nfs/dbraw/zinc/31/67/36/426316736.db2.gz CDQUDUGAOPYAQH-ZDUSSCGKSA-N 0 0 316.361 2.878 50 0 DFAARN C[C@@H]1CC(NC(=O)Cc2csc(-c3cccc(F)c3)n2)=NO1 ZINC000089920082 426318225 /nfs/dbraw/zinc/31/82/25/426318225.db2.gz CQCCAHXDNAITCR-SECBINFHSA-N 0 0 319.361 2.730 50 0 DFAARN COc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C)[C@@H]2C)cc1F ZINC000089919903 426318545 /nfs/dbraw/zinc/31/85/45/426318545.db2.gz XHSCFXCTHHFJIE-SRVKXCTJSA-N 0 0 310.369 2.714 50 0 DFAARN C[C@]1(CNC(=O)NCCCCNc2ccccn2)CCCS1 ZINC000089919374 426318571 /nfs/dbraw/zinc/31/85/71/426318571.db2.gz OOFRKRCZGMGTHY-MRXNPFEDSA-N 0 0 322.478 2.859 50 0 DFAARN C[C@@H]1CN(C)CCN1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000089938238 426319633 /nfs/dbraw/zinc/31/96/33/426319633.db2.gz ACLSKLVWAFCVEB-SNVBAGLBSA-N 0 0 306.391 2.571 50 0 DFAARN C[C@@H]1CN(C)CCN1C(=O)c1ccccc1Oc1cccnc1 ZINC000089938677 426321045 /nfs/dbraw/zinc/32/10/45/426321045.db2.gz SVDHWNFMTYHCBZ-CQSZACIVSA-N 0 0 311.385 2.650 50 0 DFAARN C[C@H]1CN(C)CCN1C(=O)c1cccnc1Oc1ccccc1 ZINC000089938700 426321422 /nfs/dbraw/zinc/32/14/22/426321422.db2.gz BQVGXSOZKJFNCY-AWEZNQCLSA-N 0 0 311.385 2.650 50 0 DFAARN C[C@H]1CN(C)CCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000089938486 426321462 /nfs/dbraw/zinc/32/14/62/426321462.db2.gz LWMNUIUZFIDEHE-NSHDSACASA-N 0 0 303.793 2.664 50 0 DFAARN C[C@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)CCCN2C ZINC000121202205 426324647 /nfs/dbraw/zinc/32/46/47/426324647.db2.gz CANVXBKMIWWNQC-JTQLQIEISA-N 0 0 316.323 2.975 50 0 DFAARN O=C(Nc1ccc2c(c1)NC(=O)CS2)C(F)(F)C(F)F ZINC000175788078 426328541 /nfs/dbraw/zinc/32/85/41/426328541.db2.gz DTQBFRMNNRYKEU-UHFFFAOYSA-N 0 0 308.256 2.570 50 0 DFAARN O=C(NCCCO)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000091033030 426336525 /nfs/dbraw/zinc/33/65/25/426336525.db2.gz CKCXFPDYOOPMER-UHFFFAOYSA-N 0 0 312.369 2.792 50 0 DFAARN O=C(N[C@@H]1CCCc2occc21)c1ccc(-n2ccnc2)nc1 ZINC000119368125 426283392 /nfs/dbraw/zinc/28/33/92/426283392.db2.gz NWUSAYHCAAJKES-CQSZACIVSA-N 0 0 308.341 2.668 50 0 DFAARN CCn1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2ccccc21 ZINC000089305400 426285674 /nfs/dbraw/zinc/28/56/74/426285674.db2.gz ZEAIWFMTENVAIG-UHFFFAOYSA-N 0 0 323.396 2.896 50 0 DFAARN CN(C[C@H](O)C1CC1)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000089340041 426286849 /nfs/dbraw/zinc/28/68/49/426286849.db2.gz KZFZGNAEZGECEM-ZACQAIPSSA-N 0 0 320.408 2.874 50 0 DFAARN CN(CC1CC1)C(=O)[C@H]1CCCN1c1ncnc2sccc21 ZINC000089340194 426286957 /nfs/dbraw/zinc/28/69/57/426286957.db2.gz PKHARYBRHINYFP-CYBMUJFWSA-N 0 0 316.430 2.529 50 0 DFAARN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Cc1cccnc1 ZINC000089350711 426287124 /nfs/dbraw/zinc/28/71/24/426287124.db2.gz DEHMDEFOIKDRNM-UHFFFAOYSA-N 0 0 306.369 2.673 50 0 DFAARN Cc1cc(=O)c(C(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)c[nH]1 ZINC000089353773 426287241 /nfs/dbraw/zinc/28/72/41/426287241.db2.gz 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MCTZEQTXWJTHFF-UHFFFAOYSA-N 0 0 323.274 2.574 50 0 DFAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1cccnc1Cl ZINC000096151953 426401205 /nfs/dbraw/zinc/40/12/05/426401205.db2.gz DHTVURDLCKZZIY-LBPRGKRZSA-N 0 0 324.812 2.600 50 0 DFAARN c1ccc(C2CCN(Cc3nc([C@H]4CCOC4)no3)CC2)cc1 ZINC000096148910 426401360 /nfs/dbraw/zinc/40/13/60/426401360.db2.gz DFQZVFBQWYGRGS-INIZCTEOSA-N 0 0 313.401 2.953 50 0 DFAARN CCCNC(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1 ZINC000096151688 426401384 /nfs/dbraw/zinc/40/13/84/426401384.db2.gz CSFXHICNTIFVIQ-UHFFFAOYSA-N 0 0 317.410 2.897 50 0 DFAARN C=Cc1ccc(NC(=O)N(C)CCN2CCCCC2=O)cc1 ZINC000096151279 426401724 /nfs/dbraw/zinc/40/17/24/426401724.db2.gz FCLGIBSKOUUCCC-UHFFFAOYSA-N 0 0 301.390 2.806 50 0 DFAARN CCn1nc(CCOC)nc1[C@H](C)Oc1ccc(F)cc1F ZINC000096149077 426402418 /nfs/dbraw/zinc/40/24/18/426402418.db2.gz XSRYGKNDKYVAFC-JTQLQIEISA-N 0 0 311.332 2.905 50 0 DFAARN CCCCOc1cc(F)ccc1-c1cnn([C@@H](C)C(N)=O)c1 ZINC000096179899 426402797 /nfs/dbraw/zinc/40/27/97/426402797.db2.gz IQTRSMMHJSGTTE-NSHDSACASA-N 0 0 305.353 2.914 50 0 DFAARN CCc1nc2c(ncnc2NC[C@H]2COc3ccccc3C2)o1 ZINC000096163037 426403328 /nfs/dbraw/zinc/40/33/28/426403328.db2.gz IDMZTYKUXLSCBQ-NSHDSACASA-N 0 0 310.357 2.843 50 0 DFAARN COc1c(C(=O)Nc2ccccc2)nnn1Cc1ccc(C)cc1 ZINC000096183341 426404388 /nfs/dbraw/zinc/40/43/88/426404388.db2.gz YTELWRXAZHIKAN-UHFFFAOYSA-N 0 0 322.368 2.896 50 0 DFAARN O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2noc(C3CC3)n2)C1 ZINC000121416086 426341532 /nfs/dbraw/zinc/34/15/32/426341532.db2.gz CCTSODGRZFZZJK-BXUZGUMPSA-N 0 0 321.327 2.533 50 0 DFAARN COc1ccccc1[C@H](NCc1ncnn1C)C1CCCC1 ZINC000091349788 426341729 /nfs/dbraw/zinc/34/17/29/426341729.db2.gz RNDKHDWCKHOSHN-QGZVFWFLSA-N 0 0 300.406 2.845 50 0 DFAARN CCCc1nc(C(=O)NCCNc2ncccc2C)cs1 ZINC000091270300 426342068 /nfs/dbraw/zinc/34/20/68/426342068.db2.gz KPZIOUNNXWOBMX-UHFFFAOYSA-N 0 0 304.419 2.641 50 0 DFAARN CC[C@@H]1c2cccn2CCN1C(=O)c1cccc(-n2cnnc2)c1 ZINC000091350863 426342329 /nfs/dbraw/zinc/34/23/29/426342329.db2.gz ZAUCDHCLVWDLAR-MRXNPFEDSA-N 0 0 321.384 2.676 50 0 DFAARN COc1ccccc1/C(C)=C\C(=O)O[C@H]1C(=O)OCC1(C)C ZINC000096189998 426405266 /nfs/dbraw/zinc/40/52/66/426405266.db2.gz YUEFYRVMQKUOAS-KLQCNHIUSA-N 0 0 304.342 2.593 50 0 DFAARN CC(C)c1nc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)co1 ZINC000092028775 426346466 /nfs/dbraw/zinc/34/64/66/426346466.db2.gz RJDGXPFIBBCYBI-KDOFPFPSSA-N 0 0 322.449 2.798 50 0 DFAARN Cc1ccc2[nH]c(CCn3cc([C@H]4CCOC4)nn3)nc2c1C ZINC000092028781 426346713 /nfs/dbraw/zinc/34/67/13/426346713.db2.gz LONMRMYHDIBCED-ZDUSSCGKSA-N 0 0 311.389 2.518 50 0 DFAARN COc1ccc(C2=NO[C@](C)(C(=O)N3CCCCCC3)C2)cc1 ZINC000096192828 426405629 /nfs/dbraw/zinc/40/56/29/426405629.db2.gz JUNIZEVGYPXJIK-SFHVURJKSA-N 0 0 316.401 2.981 50 0 DFAARN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCCC2=CCCC2)C1 ZINC000122156799 426360614 /nfs/dbraw/zinc/36/06/14/426360614.db2.gz SWYLBXNHQZVPGZ-GXZWQRSESA-N 0 0 312.479 2.866 50 0 DFAARN O=C(c1cccc(-n2ccnn2)c1)N(CC(F)(F)F)C1CCC1 ZINC000122139614 426360761 /nfs/dbraw/zinc/36/07/61/426360761.db2.gz VHXYMYSLVCKPGF-UHFFFAOYSA-N 0 0 324.306 2.824 50 0 DFAARN O=S(=O)(NCc1cccc(F)c1)c1cc(F)cc(F)c1 ZINC000095068026 426362426 /nfs/dbraw/zinc/36/24/26/426362426.db2.gz LBAVYXRVRPGGAU-UHFFFAOYSA-N 0 0 301.289 2.582 50 0 DFAARN CCN(CC(=O)N(C)C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000095356514 426366573 /nfs/dbraw/zinc/36/65/73/426366573.db2.gz PFFBELPIXOVMRH-UHFFFAOYSA-N 0 0 321.808 2.905 50 0 DFAARN CO[C@@H]1CCCOC12CCN(c1nnc(C3CCC3)o1)CC2 ZINC000095352403 426366760 /nfs/dbraw/zinc/36/67/60/426366760.db2.gz OPRRLIKSXHLEMU-CYBMUJFWSA-N 0 0 307.394 2.502 50 0 DFAARN Cc1ccccc1[C@@H](C(=O)NCCCC(C)(C)CO)N(C)C ZINC000095362574 426367616 /nfs/dbraw/zinc/36/76/16/426367616.db2.gz FQSQUCPCCBFEMU-INIZCTEOSA-N 0 0 306.450 2.513 50 0 DFAARN Cc1ccc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)o1 ZINC000095364074 426367653 /nfs/dbraw/zinc/36/76/53/426367653.db2.gz QJDHCFSDEIYFKJ-CRAIPNDOSA-N 0 0 313.353 2.651 50 0 DFAARN Cc1ccccc1-c1noc([C@H]2CCCN(C(=O)N(C)C)C2)n1 ZINC000095365695 426367791 /nfs/dbraw/zinc/36/77/91/426367791.db2.gz VPSYNRIAUBXOTP-ZDUSSCGKSA-N 0 0 314.389 2.906 50 0 DFAARN CC(C)n1ccnc1[C@H]1CCCN(c2cncc(N(C)C)n2)C1 ZINC000095362271 426367815 /nfs/dbraw/zinc/36/78/15/426367815.db2.gz LPMKXRQLMOTTNL-AWEZNQCLSA-N 0 0 314.437 2.704 50 0 DFAARN COc1ccc(-c2n[nH]cc2CNc2nnc(C3CC3)o2)cc1 ZINC000095358364 426367865 /nfs/dbraw/zinc/36/78/65/426367865.db2.gz WUPXZRUOZVAXJF-UHFFFAOYSA-N 0 0 311.345 2.958 50 0 DFAARN c1c(-c2cncnc2)nnn1CCCc1nc2ccccc2s1 ZINC000095368123 426367883 /nfs/dbraw/zinc/36/78/83/426367883.db2.gz RFPYRXGPMAZPHG-UHFFFAOYSA-N 0 0 322.397 2.978 50 0 DFAARN CO[C@H](C(=O)OCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000095360815 426368083 /nfs/dbraw/zinc/36/80/83/426368083.db2.gz LTGIBECHVMLNMA-KRWDZBQOSA-N 0 0 313.353 2.580 50 0 DFAARN Cc1ccccc1[C@H](C(=O)NCCc1ccc(O)cc1)N(C)C ZINC000095361831 426368215 /nfs/dbraw/zinc/36/82/15/426368215.db2.gz YYBMORDTWNYJLV-GOSISDBHSA-N 0 0 312.413 2.662 50 0 DFAARN COCc1ccc(C(=O)NC[C@H]2CCOc3ccccc3C2)o1 ZINC000095361880 426368550 /nfs/dbraw/zinc/36/85/50/426368550.db2.gz CHQDTPPYQJXPSH-ZDUSSCGKSA-N 0 0 315.369 2.797 50 0 DFAARN CCOCC1CCN(C(=O)[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC000095374450 426369009 /nfs/dbraw/zinc/36/90/09/426369009.db2.gz QDTFNHYDFJKPBN-KRWDZBQOSA-N 0 0 322.424 2.704 50 0 DFAARN COC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095371530 426369432 /nfs/dbraw/zinc/36/94/32/426369432.db2.gz QFUSXESKLMLKOP-ARFHVFGLSA-N 0 0 322.355 2.593 50 0 DFAARN CC(C)n1cnnc1CN(C)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000095376909 426369465 /nfs/dbraw/zinc/36/94/65/426369465.db2.gz YMXMRBQHAKJYDN-AWEZNQCLSA-N 0 0 316.430 2.534 50 0 DFAARN c1csc(-c2cn(CC[C@@H]3COc4ccccc4O3)nn2)n1 ZINC000095374978 426369470 /nfs/dbraw/zinc/36/94/70/426369470.db2.gz DXZAOWOYUNBIGZ-LLVKDONJSA-N 0 0 314.370 2.632 50 0 DFAARN Cc1cc(C)c2c(ncnc2N(C)Cc2noc(C3CC3)n2)n1 ZINC000095370858 426369738 /nfs/dbraw/zinc/36/97/38/426369738.db2.gz JICOBFKEWMDTLY-UHFFFAOYSA-N 0 0 310.361 2.538 50 0 DFAARN C[C@@H](CNc1ncc(F)c(N(C)C)n1)N(C)c1ccccc1 ZINC000095378978 426369756 /nfs/dbraw/zinc/36/97/56/426369756.db2.gz MMLOGFMQYJCCSB-LBPRGKRZSA-N 0 0 303.385 2.619 50 0 DFAARN CCCCSc1nc(N)cc(N[C@@H](C)c2cnn(C)c2)n1 ZINC000095379076 426369873 /nfs/dbraw/zinc/36/98/73/426369873.db2.gz YHXCOQWKEYEPAK-JTQLQIEISA-N 0 0 306.439 2.858 50 0 DFAARN Cc1cccc(C)c1OC1CN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000095375573 426369934 /nfs/dbraw/zinc/36/99/34/426369934.db2.gz FALYOPIODXESMW-KRWDZBQOSA-N 0 0 311.381 2.627 50 0 DFAARN CC1(C)CNC(=O)c2[nH]c(CCc3ccc(F)cc3)nc2C1 ZINC000095381071 426370686 /nfs/dbraw/zinc/37/06/86/426370686.db2.gz UJRVLLHXHSAGPZ-UHFFFAOYSA-N 0 0 301.365 2.646 50 0 DFAARN C[C@]1(CO)CCC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000095427206 426372333 /nfs/dbraw/zinc/37/23/33/426372333.db2.gz GDBXUTUBLUVPGI-DZGCQCFKSA-N 0 0 315.335 2.915 50 0 DFAARN O=C(Cn1ccc2ccccc2c1=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000095531728 426373257 /nfs/dbraw/zinc/37/32/57/426373257.db2.gz ULHYGJCBDLOQPL-LVYXFOGZSA-N 0 0 322.408 2.506 50 0 DFAARN Cc1cccc2c1N(C(=O)c1ccc(-n3cnnc3)cc1)CC2 ZINC000095447753 426373335 /nfs/dbraw/zinc/37/33/35/426373335.db2.gz BQANSPVPMJCAFE-UHFFFAOYSA-N 0 0 304.353 2.779 50 0 DFAARN O=C(Nc1ccnc2ncnn21)[C@H]1C[C@H]1c1ccccc1Cl ZINC000095458281 426373381 /nfs/dbraw/zinc/37/33/81/426373381.db2.gz FZVNYDQSQPLFTA-QWRGUYRKSA-N 0 0 313.748 2.520 50 0 DFAARN Cc1cc2ncn(C[C@H](O)Cn3cc(Cl)cn3)c2cc1C ZINC000095438808 426373453 /nfs/dbraw/zinc/37/34/53/426373453.db2.gz DCYFZIXUTOCQRK-ZDUSSCGKSA-N 0 0 304.781 2.564 50 0 DFAARN Cc1ccc(C)c([C@@H](O)COc2cccc(S(C)(=O)=O)c2)c1 ZINC000095439095 426373856 /nfs/dbraw/zinc/37/38/56/426373856.db2.gz AGOIHPFDRSHTNX-KRWDZBQOSA-N 0 0 320.410 2.819 50 0 DFAARN CCNc1ncc(C(=O)N(C)CCc2ncc(C)s2)s1 ZINC000095438913 426374042 /nfs/dbraw/zinc/37/40/42/426374042.db2.gz WQHLQEHPYXUPEV-UHFFFAOYSA-N 0 0 310.448 2.655 50 0 DFAARN COc1ccc2cc(NC(=O)c3n[nH]c4c3CCC4)cnc2c1 ZINC000095477713 426374237 /nfs/dbraw/zinc/37/42/37/426374237.db2.gz SETGFRHAFHLOIE-UHFFFAOYSA-N 0 0 308.341 2.708 50 0 DFAARN CC(C)OC(=O)c1cccnc1N1CCC[C@@H](c2cn[nH]c2)C1 ZINC000095941120 426374707 /nfs/dbraw/zinc/37/47/07/426374707.db2.gz VMXOTDCOHXNTNE-CYBMUJFWSA-N 0 0 314.389 2.754 50 0 DFAARN Cc1ccc(CNC(=O)N2CCC[C@H]2C(C)(C)O)c(N(C)C)c1 ZINC000095939448 426374846 /nfs/dbraw/zinc/37/48/46/426374846.db2.gz UMEMYKOLSGPMHE-INIZCTEOSA-N 0 0 319.449 2.506 50 0 DFAARN Cc1nnc(NCc2ccc(OCc3cscn3)cc2)n1C ZINC000095943674 426376145 /nfs/dbraw/zinc/37/61/45/426376145.db2.gz UWQKVEUSOZFOGA-UHFFFAOYSA-N 0 0 315.402 2.771 50 0 DFAARN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@H]1CO ZINC000095960293 426377307 /nfs/dbraw/zinc/37/73/07/426377307.db2.gz HOMZCWBJMVFDHH-HOCLYGCPSA-N 0 0 304.434 2.909 50 0 DFAARN COc1cccc(-n2ccnc2SC[C@H]2CCOCO2)c1 ZINC000095956601 426377368 /nfs/dbraw/zinc/37/73/68/426377368.db2.gz PMMLKVNGVJBIGG-CQSZACIVSA-N 0 0 306.387 2.736 50 0 DFAARN CC(C)c1nnc2n1C[C@@H](NC(=O)CC1CCCCC1)CC2 ZINC000095957953 426377437 /nfs/dbraw/zinc/37/74/37/426377437.db2.gz YOJNPKYIFYEMOC-AWEZNQCLSA-N 0 0 304.438 2.803 50 0 DFAARN Cc1cccc(C)c1NCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000153247915 426377650 /nfs/dbraw/zinc/37/76/50/426377650.db2.gz KTZDEOZWLTVYES-QGTPRVQTSA-N 0 0 314.429 2.789 50 0 DFAARN CSc1ccc(CN2CCO[C@H](c3noc(C)n3)C2)cc1 ZINC000095958064 426377681 /nfs/dbraw/zinc/37/76/81/426377681.db2.gz DDQPBSLJSJQLSW-AWEZNQCLSA-N 0 0 305.403 2.673 50 0 DFAARN Cc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)n1 ZINC000095965413 426377976 /nfs/dbraw/zinc/37/79/76/426377976.db2.gz PDPXGQBLHFRIFJ-INIZCTEOSA-N 0 0 324.380 2.504 50 0 DFAARN CO[C@]1(C)C[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1(C)C ZINC000095962811 426378091 /nfs/dbraw/zinc/37/80/91/426378091.db2.gz YQIUSCJTMYIHRY-GDZNZVCISA-N 0 0 320.437 2.502 50 0 DFAARN O=C(C[C@H]1COCCN1C(=O)c1cccs1)c1ccccc1 ZINC000095965410 426378127 /nfs/dbraw/zinc/37/81/27/426378127.db2.gz OUEWRZDGZQXXJN-AWEZNQCLSA-N 0 0 315.394 2.862 50 0 DFAARN CCC(CC)(CC)NC(=O)c1cnc2cc(C)ccn2c1=O ZINC000095961269 426378682 /nfs/dbraw/zinc/37/86/82/426378682.db2.gz ABQWJGDCQPCKJV-UHFFFAOYSA-N 0 0 301.390 2.702 50 0 DFAARN CC(C)Cc1cc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)n[nH]1 ZINC000095963198 426378738 /nfs/dbraw/zinc/37/87/38/426378738.db2.gz UHGQKAOKVCAZRY-UHFFFAOYSA-N 0 0 310.361 2.646 50 0 DFAARN Cc1c(Br)cccc1NCCCS(C)(=O)=O ZINC000095967142 426379083 /nfs/dbraw/zinc/37/90/83/426379083.db2.gz WBZKZWJGRDZTBI-UHFFFAOYSA-N 0 0 306.225 2.604 50 0 DFAARN CSc1ccc([C@H](C)NC(=O)N[C@@](C)(CO)C2CC2)cc1 ZINC000095966567 426379121 /nfs/dbraw/zinc/37/91/21/426379121.db2.gz SVHDITZOMCYYEN-ZBEGNZNMSA-N 0 0 308.447 2.930 50 0 DFAARN C[C@]1(NS(=O)(=O)CC[C@@H]2CCCO2)CCCc2ccccc21 ZINC000095966099 426379438 /nfs/dbraw/zinc/37/94/38/426379438.db2.gz PBNFELRDPATHNQ-RDJZCZTQSA-N 0 0 323.458 2.727 50 0 DFAARN CCCc1nn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)o1 ZINC000095966481 426379770 /nfs/dbraw/zinc/37/97/70/426379770.db2.gz NHSHMQLKLXZYNS-UHFFFAOYSA-N 0 0 304.390 2.574 50 0 DFAARN CCO[C@@H]1C[C@@H](OC(=O)c2ccc3nnc(C)n3c2)C12CCC2 ZINC000095966950 426379869 /nfs/dbraw/zinc/37/98/69/426379869.db2.gz ILTQYRGTVHHONN-ZIAGYGMSSA-N 0 0 315.373 2.542 50 0 DFAARN CCn1c(=O)c2cc(F)ccc2nc1SC[C@H]1CCOC1 ZINC000095975463 426380027 /nfs/dbraw/zinc/38/00/27/426380027.db2.gz VATNMNCRUJVCLR-JTQLQIEISA-N 0 0 308.378 2.684 50 0 DFAARN CC(C)(C)c1ccc(NC(=O)NCCc2cscn2)nn1 ZINC000095973963 426380100 /nfs/dbraw/zinc/38/01/00/426380100.db2.gz NBPIIVFYOVDEFV-UHFFFAOYSA-N 0 0 305.407 2.595 50 0 DFAARN CCCCO[C@@H](C)C(=O)Nc1cncc(Br)c1 ZINC000095975558 426380127 /nfs/dbraw/zinc/38/01/27/426380127.db2.gz RRXDCIBDXOHWLW-VIFPVBQESA-N 0 0 301.184 2.988 50 0 DFAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cncc(Cl)c1 ZINC000095974261 426380405 /nfs/dbraw/zinc/38/04/05/426380405.db2.gz FXFMFZDITREDSA-JTQLQIEISA-N 0 0 308.790 2.875 50 0 DFAARN CCNc1ncc(C(=O)NCCCCc2nccs2)s1 ZINC000095972019 426380423 /nfs/dbraw/zinc/38/04/23/426380423.db2.gz ICUUMEPKLIMZDQ-UHFFFAOYSA-N 0 0 310.448 2.784 50 0 DFAARN 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Cc1cccc(CN2CCN(Cc3nnsc3Cl)CC2)c1 ZINC000039990598 183027411 /nfs/dbraw/zinc/02/74/11/183027411.db2.gz QQQGLXDVVYPVFD-UHFFFAOYSA-N 0 0 322.865 2.818 50 0 DFAARN COC(=O)c1cccc(NCC(=O)NC2CCC(C)CC2)c1 ZINC000040009480 183027551 /nfs/dbraw/zinc/02/75/51/183027551.db2.gz QKDHMLXDPYHYFA-UHFFFAOYSA-N 0 0 304.390 2.580 50 0 DFAARN Cc1cc2occ(CC(=O)O[C@H]3CCCCNC3=O)c2cc1C ZINC000040025118 183028610 /nfs/dbraw/zinc/02/86/10/183028610.db2.gz BXVVLRVVZHCAKF-HNNXBMFYSA-N 0 0 315.369 2.804 50 0 DFAARN C[C@@H]1CN(C(C)(C)CNC(=O)CCC2CCCC2)C[C@@H](C)O1 ZINC000040047424 183029747 /nfs/dbraw/zinc/02/97/47/183029747.db2.gz YGCAMBKYOPHVMC-HUUCEWRRSA-N 0 0 310.482 2.961 50 0 DFAARN Cc1ccc(C(C)(C)C)cc1SCCN1C(=O)CNC1=O ZINC000040068587 183030702 /nfs/dbraw/zinc/03/07/02/183030702.db2.gz YJKOLQCJQBFFIS-UHFFFAOYSA-N 0 0 306.431 2.936 50 0 DFAARN CC(C)C(=O)N1CCC(NC(=O)NC2CCC(C)CC2)CC1 ZINC000040071303 183031242 /nfs/dbraw/zinc/03/12/42/183031242.db2.gz UFPBPWNPVUNGBR-UHFFFAOYSA-N 0 0 309.454 2.511 50 0 DFAARN CC(C)c1cc(C(=O)NCCCN2CCc3ccccc32)[nH]n1 ZINC000040153771 183040789 /nfs/dbraw/zinc/04/07/89/183040789.db2.gz ZSPTUKNEZPJNGT-UHFFFAOYSA-N 0 0 312.417 2.716 50 0 DFAARN CN1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000040159845 183040955 /nfs/dbraw/zinc/04/09/55/183040955.db2.gz VQRZXQIJGMSYTD-UHFFFAOYSA-N 0 0 319.257 2.860 50 0 DFAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2F)cc1 ZINC000040231372 183048465 /nfs/dbraw/zinc/04/84/65/183048465.db2.gz QNVLYTAVQFEHSE-UHFFFAOYSA-N 0 0 311.309 2.968 50 0 DFAARN COc1cccc(NC(=O)NC[C@@H](O)c2ccccc2F)c1 ZINC000040086415 183031912 /nfs/dbraw/zinc/03/19/12/183031912.db2.gz CZVZEKOTLKMOBE-OAHLLOKOSA-N 0 0 304.321 2.689 50 0 DFAARN O=C(Nc1ccc2c[nH]nc2c1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000040086689 183032250 /nfs/dbraw/zinc/03/22/50/183032250.db2.gz JTOWYVKAOSQDRV-CYBMUJFWSA-N 0 0 320.352 2.555 50 0 DFAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000040107334 183036424 /nfs/dbraw/zinc/03/64/24/183036424.db2.gz VBYVYTFWBSAWEY-HOCLYGCPSA-N 0 0 321.465 2.609 50 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COc1cc2c(cc1OC)CN(C(=O)Nc1cccnc1)CC2 ZINC000040474195 183074021 /nfs/dbraw/zinc/07/40/21/183074021.db2.gz XSVQQYLVXSUABW-UHFFFAOYSA-N 0 0 313.357 2.689 50 0 DFAARN CCOc1ccc(OCC)c(NCC(=O)NCC(F)(F)F)c1 ZINC000040473957 183074301 /nfs/dbraw/zinc/07/43/01/183074301.db2.gz LEAFPCHQLYMKSH-UHFFFAOYSA-N 0 0 320.311 2.574 50 0 DFAARN Cc1nc2ccc(C(=O)NCCCOC(C)C)cc2nc1C ZINC000040473376 183074412 /nfs/dbraw/zinc/07/44/12/183074412.db2.gz PSJXPULEZKDOIZ-UHFFFAOYSA-N 0 0 301.390 2.792 50 0 DFAARN COc1ccc(NC(=O)NCCCOCC2CC2)cc1OC ZINC000040477750 183075879 /nfs/dbraw/zinc/07/58/79/183075879.db2.gz WTZXSGFZMJFKOT-UHFFFAOYSA-N 0 0 308.378 2.642 50 0 DFAARN CN(C)C(=O)c1ccc(CNC(=O)Nc2ccccc2F)cc1 ZINC000040489767 183079084 /nfs/dbraw/zinc/07/90/84/183079084.db2.gz MWPVJKBWVNXMGC-UHFFFAOYSA-N 0 0 315.348 2.849 50 0 DFAARN O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1O ZINC000040489096 183079368 /nfs/dbraw/zinc/07/93/68/183079368.db2.gz JNNGENRMDJYOCG-UHFFFAOYSA-N 0 0 307.353 2.567 50 0 DFAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccccn1 ZINC000040494428 183080307 /nfs/dbraw/zinc/08/03/07/183080307.db2.gz QFFUGDZKWOIMNZ-VIFPVBQESA-N 0 0 314.769 2.914 50 0 DFAARN Cc1noc(C)c1CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000040494091 183080709 /nfs/dbraw/zinc/08/07/09/183080709.db2.gz WHPSOSVLUDEVDK-LBPRGKRZSA-N 0 0 322.430 2.888 50 0 DFAARN C[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccc2c(c1)OCCO2 ZINC000040497459 183081918 /nfs/dbraw/zinc/08/19/18/183081918.db2.gz WBWKUIBVQYHEMQ-SNVBAGLBSA-N 0 0 313.357 2.549 50 0 DFAARN CC(C)c1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000040497182 183081995 /nfs/dbraw/zinc/08/19/95/183081995.db2.gz FPDJVENZJVWISA-AWEZNQCLSA-N 0 0 305.353 2.906 50 0 DFAARN Cc1noc(C)c1CS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000040498717 183082928 /nfs/dbraw/zinc/08/29/28/183082928.db2.gz OMMSOSAKEZWTEB-UHFFFAOYSA-N 0 0 320.292 2.679 50 0 DFAARN CCN(C(=O)/C=C/c1ccc(OC)cc1OC)[C@@H](C)COC ZINC000040500964 183083688 /nfs/dbraw/zinc/08/36/88/183083688.db2.gz XDDMXEBSIAIDMF-FROQITRMSA-N 0 0 307.390 2.600 50 0 DFAARN CCCc1noc(COc2ccc(-c3noc(C)n3)cc2)n1 ZINC000040505093 183085536 /nfs/dbraw/zinc/08/55/36/183085536.db2.gz MRNSETQNDUSSHE-UHFFFAOYSA-N 0 0 300.318 2.960 50 0 DFAARN COCC(=O)Nc1cc(Br)ccc1Br ZINC000040509332 183086236 /nfs/dbraw/zinc/08/62/36/183086236.db2.gz WJXJFFKQMSVIBP-UHFFFAOYSA-N 0 0 322.984 2.797 50 0 DFAARN Cc1cc([C@@H](C)NC(=O)CN2CCCCCC2=O)c(C)s1 ZINC000040509383 183086242 /nfs/dbraw/zinc/08/62/42/183086242.db2.gz KQXXOUNDGUMFPS-GFCCVEGCSA-N 0 0 308.447 2.945 50 0 DFAARN CC(C)c1c(C(=O)NCC(F)(F)F)cnn1-c1ccccn1 ZINC000040513504 183088060 /nfs/dbraw/zinc/08/80/60/183088060.db2.gz HAVZLASDVFOARD-UHFFFAOYSA-N 0 0 312.295 2.683 50 0 DFAARN CC(=O)Nc1nc(C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 ZINC000040513865 183088267 /nfs/dbraw/zinc/08/82/67/183088267.db2.gz XRVYKZXNGLCVNV-QMMMGPOBSA-N 0 0 307.350 2.732 50 0 DFAARN CCN(Cc1ccccc1C)S(=O)(=O)c1c(C)noc1C ZINC000040520536 183090690 /nfs/dbraw/zinc/09/06/90/183090690.db2.gz BXDNSYAMMYKHES-UHFFFAOYSA-N 0 0 308.403 2.811 50 0 DFAARN O=C(Nc1ccc(F)c(F)c1)N1CCN(c2nccs2)CC1 ZINC000040525891 183091925 /nfs/dbraw/zinc/09/19/25/183091925.db2.gz WVAGVFUDSBEVQG-UHFFFAOYSA-N 0 0 324.356 2.775 50 0 DFAARN Cc1noc(CS(=O)(=O)Cc2cccc3ccccc32)n1 ZINC000040528612 183093552 /nfs/dbraw/zinc/09/35/52/183093552.db2.gz DVHQXJJGYDTULD-UHFFFAOYSA-N 0 0 302.355 2.646 50 0 DFAARN CCCCNC(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1 ZINC000040529529 183094002 /nfs/dbraw/zinc/09/40/02/183094002.db2.gz HECIERQIKATMNE-UHFFFAOYSA-N 0 0 322.405 2.941 50 0 DFAARN Cc1ccccc1CS(=O)(=O)Cc1noc(C(C)(C)C)n1 ZINC000040528955 183094201 /nfs/dbraw/zinc/09/42/01/183094201.db2.gz YFQYTOUITJKROQ-UHFFFAOYSA-N 0 0 308.403 2.791 50 0 DFAARN O=C(Nn1cnc2ccccc21)c1ccccc1-n1cccn1 ZINC000040538607 183096483 /nfs/dbraw/zinc/09/64/83/183096483.db2.gz JALZMVNHVSITNZ-UHFFFAOYSA-N 0 0 303.325 2.606 50 0 DFAARN CC(C)CNC(=O)[C@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000040534719 183094693 /nfs/dbraw/zinc/09/46/93/183094693.db2.gz ZDOYTAQPYPKMTH-AWEZNQCLSA-N 0 0 322.474 2.692 50 0 DFAARN COc1ccc(C(=O)NCc2ccncc2)cc1OC(F)F ZINC000040540070 183096917 /nfs/dbraw/zinc/09/69/17/183096917.db2.gz ZMQSKIDTUWNDDY-UHFFFAOYSA-N 0 0 308.284 2.622 50 0 DFAARN CC(C)Oc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000040542288 183098440 /nfs/dbraw/zinc/09/84/40/183098440.db2.gz LECSEXXZSZICNE-GFCCVEGCSA-N 0 0 316.357 2.824 50 0 DFAARN Cc1cnc(C(=O)NCc2cc(Br)cs2)cn1 ZINC000040553617 183100635 /nfs/dbraw/zinc/10/06/35/183100635.db2.gz JLOGRTKABUTPDX-UHFFFAOYSA-N 0 0 312.192 2.539 50 0 DFAARN C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000040553261 183100676 /nfs/dbraw/zinc/10/06/76/183100676.db2.gz TVHDVVGMPYOVNP-DYVFJYSZSA-N 0 0 314.429 2.875 50 0 DFAARN Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3CC=CCC3)cn2)n1 ZINC000040553627 183100991 /nfs/dbraw/zinc/10/09/91/183100991.db2.gz LXJYWYXBJZDXDT-INIZCTEOSA-N 0 0 310.401 2.857 50 0 DFAARN CCN(CCCNC(=O)c1cccc(Cl)c1Cl)C(C)=O ZINC000040555959 183102402 /nfs/dbraw/zinc/10/24/02/183102402.db2.gz FIHVLSFDLOSYKY-UHFFFAOYSA-N 0 0 317.216 2.982 50 0 DFAARN C=CC(=O)NCc1ccc(C(=O)NCc2ccccc2C)cc1 ZINC000040556326 183102469 /nfs/dbraw/zinc/10/24/69/183102469.db2.gz PEZDHKNBHOMGFH-UHFFFAOYSA-N 0 0 308.381 2.727 50 0 DFAARN CN(Cc1ccccn1)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000040556283 183102573 /nfs/dbraw/zinc/10/25/73/183102573.db2.gz ZDHQKOFEYCLKAA-UHFFFAOYSA-N 0 0 309.369 2.702 50 0 DFAARN CCCCc1noc([C@@H]2CCCN(C(=O)c3cc(C)no3)C2)n1 ZINC000040714765 183122737 /nfs/dbraw/zinc/12/27/37/183122737.db2.gz IRXVMEOJZRHSLR-GFCCVEGCSA-N 0 0 318.377 2.728 50 0 DFAARN O=C(NCc1cc(Br)ccc1F)C1CCOCC1 ZINC000041064897 183161643 /nfs/dbraw/zinc/16/16/43/183161643.db2.gz KIYSKDGIPITELF-UHFFFAOYSA-N 0 0 316.170 2.631 50 0 DFAARN O=C(c1cc(-c2ccco2)on1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041109494 183166418 /nfs/dbraw/zinc/16/64/18/183166418.db2.gz ATTTYCPOLRBFFT-CHWSQXEVSA-N 0 0 302.330 2.718 50 0 DFAARN COc1ccc(-c2cnc(CN3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000041363330 183186596 /nfs/dbraw/zinc/18/65/96/183186596.db2.gz GDYWPYHBYNUSGF-CHWSQXEVSA-N 0 0 302.374 2.959 50 0 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2.813 50 0 DFAARN O=C(NCCCNc1ncccn1)c1cc2ccccc2s1 ZINC000042757047 183305622 /nfs/dbraw/zinc/30/56/22/183305622.db2.gz CCPFEVPSUGPPGA-UHFFFAOYSA-N 0 0 312.398 2.923 50 0 DFAARN Cc1[nH]c2ccc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)cc2c1C ZINC000042733682 183302775 /nfs/dbraw/zinc/30/27/75/183302775.db2.gz UWMWUIWTMXKVDR-IINYFYTJSA-N 0 0 313.401 2.511 50 0 DFAARN CCn1c(CNC(=O)Nc2nccs2)nc2ccccc21 ZINC000042754774 183305381 /nfs/dbraw/zinc/30/53/81/183305381.db2.gz QZKLGBBXZRXDBE-UHFFFAOYSA-N 0 0 301.375 2.834 50 0 DFAARN C[C@H](NC(=O)NCc1ccccn1)c1ccc2c(c1)CCC(=O)N2 ZINC000042880066 183316855 /nfs/dbraw/zinc/31/68/55/183316855.db2.gz PGVYIGOTUGPERT-LBPRGKRZSA-N 0 0 324.384 2.527 50 0 DFAARN O=C(NCCCn1ccnc1)N1CCC[C@@H]1c1cccs1 ZINC000042898391 183317736 /nfs/dbraw/zinc/31/77/36/183317736.db2.gz XUUVKOJHECLPLS-CYBMUJFWSA-N 0 0 304.419 2.881 50 0 DFAARN C[C@H](NC(=O)Nc1nncs1)c1ccc2c(c1)OCCCO2 ZINC000043129204 183339644 /nfs/dbraw/zinc/33/96/44/183339644.db2.gz DXKXWFOQFCZNRU-VIFPVBQESA-N 0 0 320.374 2.582 50 0 DFAARN COc1ccc(OC)c(C(=O)c2ccccc2OC(C)=O)c1 ZINC000043209815 183344656 /nfs/dbraw/zinc/34/46/56/183344656.db2.gz DYFHMWGOGLVKJW-UHFFFAOYSA-N 0 0 300.310 2.860 50 0 DFAARN Cc1csc(CNS(=O)(=O)c2ccc(C)cc2Cl)n1 ZINC000043273131 183349785 /nfs/dbraw/zinc/34/97/85/183349785.db2.gz MGUSAGRBPRMSQN-UHFFFAOYSA-N 0 0 316.835 2.892 50 0 DFAARN CCc1cccc(NC(=O)NCCNC(=O)c2ccccc2)c1 ZINC000043333576 183356051 /nfs/dbraw/zinc/35/60/51/183356051.db2.gz CUFCTRDDHCVVJB-UHFFFAOYSA-N 0 0 311.385 2.801 50 0 DFAARN COC(=O)CCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000043085961 183335083 /nfs/dbraw/zinc/33/50/83/183335083.db2.gz IBCJBQWRGZFBSO-LLVKDONJSA-N 0 0 313.806 2.946 50 0 DFAARN C[C@H](NC(=O)NCc1ccoc1)c1ccc2c(c1)OCCO2 ZINC000043482610 183366641 /nfs/dbraw/zinc/36/66/41/183366641.db2.gz OGJUVDHNVFJYJT-NSHDSACASA-N 0 0 302.330 2.611 50 0 DFAARN CCCc1nnc(NC(=O)NC[C@H]2Cc3ccccc3O2)s1 ZINC000043555975 183371313 /nfs/dbraw/zinc/37/13/13/183371313.db2.gz RSAWNRMSTWVBOY-LLVKDONJSA-N 0 0 318.402 2.616 50 0 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O=C(NCCc1ccccc1)c1ccc(Cn2ccnc2)cc1 ZINC000032912960 425840721 /nfs/dbraw/zinc/84/07/21/425840721.db2.gz MSIBXYBHNXYHKQ-UHFFFAOYSA-N 0 0 305.381 2.904 50 0 DFAARN CCCC(=O)NCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000032928463 425840763 /nfs/dbraw/zinc/84/07/63/425840763.db2.gz QWUCCGFNYKXDQD-AWEZNQCLSA-N 0 0 304.434 2.979 50 0 DFAARN COc1cccc(CNC(=O)c2cccc(-c3noc(C)n3)c2)c1 ZINC000032996544 425840800 /nfs/dbraw/zinc/84/08/00/425840800.db2.gz FIRFFMUZHDWSRS-UHFFFAOYSA-N 0 0 323.352 2.984 50 0 DFAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1cccs1 ZINC000033000322 425840812 /nfs/dbraw/zinc/84/08/12/425840812.db2.gz KCVWSRYTKLVTFX-UHFFFAOYSA-N 0 0 323.439 2.732 50 0 DFAARN Cc1ccc(C(=O)N2CCC(CC(=O)NC3CC3)CC2)cc1 ZINC000032974165 425840857 /nfs/dbraw/zinc/84/08/57/425840857.db2.gz ACPIXJCNCGMIKQ-UHFFFAOYSA-N 0 0 300.402 2.516 50 0 DFAARN CCn1nnc2cc(C(=O)N(C)Cc3cccs3)ccc21 ZINC000033000319 425840905 /nfs/dbraw/zinc/84/09/05/425840905.db2.gz VCARYBLGICOUPQ-UHFFFAOYSA-N 0 0 300.387 2.785 50 0 DFAARN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000032981807 425840906 /nfs/dbraw/zinc/84/09/06/425840906.db2.gz VGVLKQSWFSFOPK-AMIZOPFISA-N 0 0 320.418 2.626 50 0 DFAARN C[C@@H](NC(=O)c1cccc[n+]1[O-])c1cccc(Br)c1 ZINC000032933212 425840945 /nfs/dbraw/zinc/84/09/45/425840945.db2.gz JKIVAUZKWXRPEF-SNVBAGLBSA-N 0 0 321.174 2.574 50 0 DFAARN C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)N1CCc2ccccc21 ZINC000033056531 425841027 /nfs/dbraw/zinc/84/10/27/425841027.db2.gz RMUUVDWRHZOVCX-LIRRHRJNSA-N 0 0 322.408 2.558 50 0 DFAARN COCC(=O)Nc1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000033012722 425841185 /nfs/dbraw/zinc/84/11/85/425841185.db2.gz PIWHWYILAJHFKI-UHFFFAOYSA-N 0 0 309.325 2.989 50 0 DFAARN C[C@H](CNC(=O)CCc1cccnc1)N1CCc2ccccc21 ZINC000033056412 425841247 /nfs/dbraw/zinc/84/12/47/425841247.db2.gz VMMPNNLBBOBGDW-OAHLLOKOSA-N 0 0 309.413 2.582 50 0 DFAARN CCCCNC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1 ZINC000033071772 425841290 /nfs/dbraw/zinc/84/12/90/425841290.db2.gz BFLNMHRFIZRJRK-ZDUSSCGKSA-N 0 0 300.406 2.696 50 0 DFAARN C[C@@H](NC(=O)NC1CCCCC1)C(=O)N1CCc2ccccc21 ZINC000033127732 425841315 /nfs/dbraw/zinc/84/13/15/425841315.db2.gz CNECDYXEUWCKEW-CYBMUJFWSA-N 0 0 315.417 2.596 50 0 DFAARN COCCNC(=O)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073146 425841379 /nfs/dbraw/zinc/84/13/79/425841379.db2.gz BULQNTVGFMRHSE-UHFFFAOYSA-N 0 0 313.401 2.601 50 0 DFAARN CNC(=O)[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000033211888 425841508 /nfs/dbraw/zinc/84/15/08/425841508.db2.gz KRIPXERSACVHQE-LBPRGKRZSA-N 0 0 320.776 2.827 50 0 DFAARN COc1ccc(C)cc1NC(=O)c1cccc(Cn2cncn2)c1 ZINC000033171332 425841513 /nfs/dbraw/zinc/84/15/13/425841513.db2.gz BUCMBHGEVGXSNX-UHFFFAOYSA-N 0 0 322.368 2.896 50 0 DFAARN O=C(Cn1ccc2sccc2c1=O)NC1CCCCCC1 ZINC000033173019 425841598 /nfs/dbraw/zinc/84/15/98/425841598.db2.gz KAHAJOQMOMCXCI-UHFFFAOYSA-N 0 0 304.415 2.902 50 0 DFAARN Cc1nc(NC(=O)/C=C\c2cccs2)sc1C(=O)N(C)C ZINC000033317247 425841718 /nfs/dbraw/zinc/84/17/18/425841718.db2.gz SUIYTCNAHMGZGY-SREVYHEPSA-N 0 0 321.427 2.867 50 0 DFAARN O=C1[C@@H]2CCCN2C(=S)N1c1cccc(OC(F)(F)F)c1 ZINC000033435910 425842165 /nfs/dbraw/zinc/84/21/65/425842165.db2.gz UYFMUZCJOYGZFD-JTQLQIEISA-N 0 0 316.304 2.681 50 0 DFAARN CC(C)c1ccc(N2CC[C@H](C(=O)NCC3CC3)C2=O)cc1 ZINC000034695628 425842607 /nfs/dbraw/zinc/84/26/07/425842607.db2.gz DLKNVMWDIOQVCL-MRXNPFEDSA-N 0 0 300.402 2.689 50 0 DFAARN NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc2cccnc21 ZINC000034890320 425842958 /nfs/dbraw/zinc/84/29/58/425842958.db2.gz COMWAMZVEMVNMU-SFHVURJKSA-N 0 0 317.392 2.647 50 0 DFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000035218831 425843604 /nfs/dbraw/zinc/84/36/04/425843604.db2.gz YMCSECLPXMPGFD-SNVBAGLBSA-N 0 0 313.756 2.894 50 0 DFAARN O=C([O-])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000035296553 425843775 /nfs/dbraw/zinc/84/37/75/425843775.db2.gz LZFPWGWDVUCFMU-SECBINFHSA-N 0 0 316.170 2.885 50 0 DFAARN Cc1ccnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000035291194 425843778 /nfs/dbraw/zinc/84/37/78/425843778.db2.gz UGNDZJJIUYPTCI-UHFFFAOYSA-N 0 0 314.364 2.779 50 0 DFAARN O=C([O-])[C@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000035302151 425844045 /nfs/dbraw/zinc/84/40/45/425844045.db2.gz LZXDEQNECHHADJ-LLVKDONJSA-N 0 0 304.173 2.921 50 0 DFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1n[nH]c2ccccc21 ZINC000035496864 425844242 /nfs/dbraw/zinc/84/42/42/425844242.db2.gz FQVOZPWHDCDHND-UHFFFAOYSA-N 0 0 323.352 2.606 50 0 DFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2cc(C)on2)c1C ZINC000035510131 425844293 /nfs/dbraw/zinc/84/42/93/425844293.db2.gz CXJHAWMJAAQHES-UHFFFAOYSA-N 0 0 319.361 2.676 50 0 DFAARN COc1ccc(-n2nnnc2C(C)(C)NCc2ccccc2)cc1 ZINC000035622205 425844413 /nfs/dbraw/zinc/84/44/13/425844413.db2.gz DNZAANIVHXLERW-UHFFFAOYSA-N 0 0 323.400 2.696 50 0 DFAARN CCOc1ccc2c(cc(C(=O)NCc3cccnc3)n2C)c1 ZINC000035558627 425844427 /nfs/dbraw/zinc/84/44/27/425844427.db2.gz UREZPPFPUMHLHI-UHFFFAOYSA-N 0 0 309.369 2.902 50 0 DFAARN O=C([O-])CC[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000035687139 425844491 /nfs/dbraw/zinc/84/44/91/425844491.db2.gz SHULUHNDTYVZNP-UHFFFAOYSA-N 0 0 317.216 2.586 50 0 DFAARN CCCCNC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000035655280 425844543 /nfs/dbraw/zinc/84/45/43/425844543.db2.gz VXRXPCPEVNXNEK-UHFFFAOYSA-N 0 0 302.418 2.764 50 0 DFAARN COc1ccc(OCc2nc(C(=O)NC3CC3)cs2)cc1 ZINC000036084264 425844695 /nfs/dbraw/zinc/84/46/95/425844695.db2.gz VRGAAZJDCRGWTF-UHFFFAOYSA-N 0 0 304.371 2.623 50 0 DFAARN Cc1ccccc1C(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 ZINC000036070922 425844823 /nfs/dbraw/zinc/84/48/23/425844823.db2.gz JYPIRZRLABZGRC-GOSISDBHSA-N 0 0 320.392 2.577 50 0 DFAARN COCCN(Cc1cc(-c2cccs2)on1)C(=O)C1CC1 ZINC000036006731 425844880 /nfs/dbraw/zinc/84/48/80/425844880.db2.gz RVFPXFDUQLQBMZ-UHFFFAOYSA-N 0 0 306.387 2.788 50 0 DFAARN O=C(NC[C@@H]1CCCO1)c1csc(COc2ccccc2)n1 ZINC000036084460 425844881 /nfs/dbraw/zinc/84/48/81/425844881.db2.gz QNKXRDMINVPOHS-ZDUSSCGKSA-N 0 0 318.398 2.631 50 0 DFAARN Cc1nc(COc2ccccc2)sc1C(=O)N1CCOCC1 ZINC000036107946 425845281 /nfs/dbraw/zinc/84/52/81/425845281.db2.gz LRDXXDMFXYUZDV-UHFFFAOYSA-N 0 0 318.398 2.503 50 0 DFAARN O=C(NC[C@@H]1CCCO1)c1cncc(-c2ccc(F)cc2F)c1 ZINC000036349378 425845384 /nfs/dbraw/zinc/84/53/84/425845384.db2.gz LVARNUGTTDUSMJ-AWEZNQCLSA-N 0 0 318.323 2.936 50 0 DFAARN COc1ccc(N(Cc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000036247540 425845534 /nfs/dbraw/zinc/84/55/34/425845534.db2.gz KZXNAUYDDVMYRE-UHFFFAOYSA-N 0 0 321.398 2.670 50 0 DFAARN Ic1cccc(NC2CCOCC2)c1 ZINC000036304578 425845571 /nfs/dbraw/zinc/84/55/71/425845571.db2.gz FMRGTGZXMJEWEM-UHFFFAOYSA-N 0 0 303.143 2.882 50 0 DFAARN Cc1cc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)n[nH]1 ZINC000036390687 425845641 /nfs/dbraw/zinc/84/56/41/425845641.db2.gz SPNMWBWUISMLED-UHFFFAOYSA-N 0 0 311.345 2.648 50 0 DFAARN O=C(Cc1ccc(F)cc1)Nc1nnc([C@H]2CCCO2)s1 ZINC000036354227 425845658 /nfs/dbraw/zinc/84/56/58/425845658.db2.gz UIXPJZUHSXRLSK-LLVKDONJSA-N 0 0 307.350 2.710 50 0 DFAARN CN(C)C(=O)c1cccc(NC(=O)COc2cccc(F)c2)c1 ZINC000036390506 425845722 /nfs/dbraw/zinc/84/57/22/425845722.db2.gz TYXWWZUZHDNIET-UHFFFAOYSA-N 0 0 316.332 2.545 50 0 DFAARN Cc1cnc(S[C@@H](C)C(=O)NCc2ccc(F)cc2)nc1 ZINC000036391078 425845729 /nfs/dbraw/zinc/84/57/29/425845729.db2.gz LZSOUIQHYIWDLW-NSHDSACASA-N 0 0 305.378 2.721 50 0 DFAARN NC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 ZINC000036393187 425845775 /nfs/dbraw/zinc/84/57/75/425845775.db2.gz HGHFABWVROFHIR-UHFFFAOYSA-N 0 0 311.341 2.779 50 0 DFAARN COc1cccc(COCC(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000036396244 425845843 /nfs/dbraw/zinc/84/58/43/425845843.db2.gz PBZBFHZZPHAZNB-CYBMUJFWSA-N 0 0 303.358 2.991 50 0 DFAARN Cc1nn(C)c(C)c1CN(C)c1nc(C)cc(C(F)(F)F)n1 ZINC000036613456 425846135 /nfs/dbraw/zinc/84/61/35/425846135.db2.gz QANXKJZVWKWBNK-UHFFFAOYSA-N 0 0 313.327 2.791 50 0 DFAARN CCc1nnc(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)[nH]1 ZINC000036713033 425846317 /nfs/dbraw/zinc/84/63/17/425846317.db2.gz COAONKDXFWQPCA-SNVBAGLBSA-N 0 0 322.409 2.645 50 0 DFAARN C[C@@H]1C(=O)N(c2ccccc2F)CCN1C(=O)CC(C)(C)C ZINC000037521825 425848146 /nfs/dbraw/zinc/84/81/46/425848146.db2.gz ZEUNMWYKJOCTSJ-GFCCVEGCSA-N 0 0 306.381 2.826 50 0 DFAARN Cc1cc(Cl)ccc1N1CCN(C(=O)C2CC2)[C@H](C)C1=O ZINC000037522564 425848284 /nfs/dbraw/zinc/84/82/84/425848284.db2.gz JDBQBIXFPZTCFE-LLVKDONJSA-N 0 0 306.793 2.622 50 0 DFAARN CCc1ccccc1N1CCN(C(=O)c2ccco2)[C@@H](C)C1=O ZINC000037521244 425848360 /nfs/dbraw/zinc/84/83/60/425848360.db2.gz XTURXBMKQUMWSP-ZDUSSCGKSA-N 0 0 312.369 2.720 50 0 DFAARN Cc1ccc(C)c(N2CCN(C(=O)CC(C)C)[C@@H](C)C2=O)c1 ZINC000037522894 425848449 /nfs/dbraw/zinc/84/84/49/425848449.db2.gz GNPZNFBUNCQAHD-HNNXBMFYSA-N 0 0 302.418 2.913 50 0 DFAARN Cc1ccccc1OC[C@H]1CN(C(=O)c2ccccc2)CCO1 ZINC000037545663 425848701 /nfs/dbraw/zinc/84/87/01/425848701.db2.gz OZYWMASEQNHHNG-QGZVFWFLSA-N 0 0 311.381 2.915 50 0 DFAARN Cc1n[nH]cc1CNC(=O)c1csc(-c2ccsc2)n1 ZINC000037990193 425849961 /nfs/dbraw/zinc/84/99/61/425849961.db2.gz XWPGZXUWEBJTSE-UHFFFAOYSA-N 0 0 304.400 2.833 50 0 DFAARN COCc1cccc(CNc2ccccc2S(C)(=O)=O)c1 ZINC000038011027 425850000 /nfs/dbraw/zinc/85/00/00/425850000.db2.gz QZRBRGOIJODIEZ-UHFFFAOYSA-N 0 0 305.399 2.849 50 0 DFAARN Cc1cnn(C)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000038506305 425850973 /nfs/dbraw/zinc/85/09/73/425850973.db2.gz IFTDCZSKNGHXGT-UHFFFAOYSA-N 0 0 318.402 2.592 50 0 DFAARN Cc1nc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)s1 ZINC000038706658 425850994 /nfs/dbraw/zinc/85/09/94/425850994.db2.gz XCYYDJQRXGFFCT-UHFFFAOYSA-N 0 0 315.398 2.921 50 0 DFAARN Cc1ccc2cc(CCNC(=O)c3cccnc3)c(=O)[nH]c2c1C ZINC000041170541 425851722 /nfs/dbraw/zinc/85/17/22/425851722.db2.gz YQHWLHNEGFGQRK-UHFFFAOYSA-N 0 0 321.380 2.512 50 0 DFAARN CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCCC1 ZINC000041264745 425851775 /nfs/dbraw/zinc/85/17/75/425851775.db2.gz DNOBYJATMILVPI-KRWDZBQOSA-N 0 0 316.445 2.773 50 0 DFAARN Cc1nc2c(s1)CN(S(=O)(=O)c1cccc(C)c1)CC2 ZINC000041194400 425851816 /nfs/dbraw/zinc/85/18/16/425851816.db2.gz LIJGLONOCVGWJG-UHFFFAOYSA-N 0 0 308.428 2.507 50 0 DFAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000046669180 425865982 /nfs/dbraw/zinc/86/59/82/425865982.db2.gz RVOZCKLNMSYGJP-UHFFFAOYSA-N 0 0 321.396 2.938 50 0 DFAARN O=C(Nc1nncs1)N1CCN(c2ccccc2Cl)CC1 ZINC000043128137 425854279 /nfs/dbraw/zinc/85/42/79/425854279.db2.gz WLARAPQYNOSOGG-UHFFFAOYSA-N 0 0 323.809 2.546 50 0 DFAARN C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)c2ccc3ccccc3c2)C1=O ZINC000044261243 425855910 /nfs/dbraw/zinc/85/59/10/425855910.db2.gz ZHOYWIOUTCPNJN-VQIMIIECSA-N 0 0 324.380 2.594 50 0 DFAARN O=C(c1ccc(Br)o1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000044318282 425856169 /nfs/dbraw/zinc/85/61/69/425856169.db2.gz KZXLZYVKNCIHIZ-NXEZZACHSA-N 0 0 314.179 2.826 50 0 DFAARN O=C1CC[C@H](c2nc(C3CC3)no2)N1Cc1cccc(F)c1 ZINC000044433118 425856267 /nfs/dbraw/zinc/85/62/67/425856267.db2.gz XFUZSXPDECSHFS-CYBMUJFWSA-N 0 0 301.321 2.950 50 0 DFAARN O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)[C@@H]1CCCc2ccccc21 ZINC000044385405 425856303 /nfs/dbraw/zinc/85/63/03/425856303.db2.gz XVGSAVQFYZWONF-QAPCUYQASA-N 0 0 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O=C(NCCCc1ccccc1)NCC[C@H](O)c1ccoc1 ZINC000096103322 426398231 /nfs/dbraw/zinc/39/82/31/426398231.db2.gz PNGFTRMXNBLNEW-INIZCTEOSA-N 0 0 302.374 2.635 50 0 DFAARN COc1ncc(NC(=O)/C=C/c2ccccc2)c(N2CCCC2)n1 ZINC000096121387 426398685 /nfs/dbraw/zinc/39/86/85/426398685.db2.gz NYJQRTPWDVFIAS-MDZDMXLPSA-N 0 0 324.384 2.737 50 0 DFAARN Cc1noc(C)c1CC(=O)Nc1nnc(CCC2CCCC2)[nH]1 ZINC000096117638 426399488 /nfs/dbraw/zinc/39/94/88/426399488.db2.gz IRTZZQDKPKRMRJ-UHFFFAOYSA-N 0 0 317.393 2.714 50 0 DFAARN O=S(=O)(Cc1ccccc1)NCc1nc(C2CC2)cs1 ZINC000122878987 426400692 /nfs/dbraw/zinc/40/06/92/426400692.db2.gz WHYSGTMXXWNGIL-UHFFFAOYSA-N 0 0 308.428 2.640 50 0 DFAARN Cc1cc(CNC(=O)[C@H](C)OC[C@@H]2CCCCO2)ccc1F ZINC000096134057 426400803 /nfs/dbraw/zinc/40/08/03/426400803.db2.gz LWNAXHAHQIRHFL-ZFWWWQNUSA-N 0 0 309.381 2.725 50 0 DFAARN Cc1nc(C)n(CCCNC(=O)Nc2ccccc2Cl)n1 ZINC000096138846 426400895 /nfs/dbraw/zinc/40/08/95/426400895.db2.gz FQXGBWZDOAUDNC-UHFFFAOYSA-N 0 0 307.785 2.760 50 0 DFAARN COc1ccc(/C=C/C(=O)Nc2nn(C)c3ncccc23)cc1 ZINC000096194555 426406789 /nfs/dbraw/zinc/40/67/89/426406789.db2.gz RDOIBJXGYPJUNQ-JXMROGBWSA-N 0 0 308.341 2.629 50 0 DFAARN COc1ccc(-c2nc3c([nH]2)CN(c2ccc(C)nn2)CC3)cc1 ZINC000096151828 426401320 /nfs/dbraw/zinc/40/13/20/426401320.db2.gz FRBOORBXTLYGBC-UHFFFAOYSA-N 0 0 321.384 2.746 50 0 DFAARN Cc1nc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)sc1C ZINC000096148284 426402120 /nfs/dbraw/zinc/40/21/20/426402120.db2.gz OZUAHRVAWAPZIP-RHSMWYFYSA-N 0 0 316.426 2.735 50 0 DFAARN C[C@@H](O)c1nc2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2[nH]1 ZINC000096150740 426402484 /nfs/dbraw/zinc/40/24/84/426402484.db2.gz RORZXXMZFYBTQE-LLVKDONJSA-N 0 0 309.369 2.985 50 0 DFAARN CS(=O)(=O)c1ccc(-c2ccc(C(=O)NC3CC3)s2)cc1 ZINC000096159907 426402858 /nfs/dbraw/zinc/40/28/58/426402858.db2.gz HVTYBWPFRHCDEF-UHFFFAOYSA-N 0 0 321.423 2.711 50 0 DFAARN CCOCCOc1ccccc1-c1nc([C@@H]2CCOC2)no1 ZINC000096179992 426403332 /nfs/dbraw/zinc/40/33/32/426403332.db2.gz YLXMKZKMGZHBLG-GFCCVEGCSA-N 0 0 304.346 2.656 50 0 DFAARN COc1ccccc1CCCNC(=O)CCc1c(C)n[nH]c1C ZINC000096163127 426403568 /nfs/dbraw/zinc/40/35/68/426403568.db2.gz LWQPXPZUTNSLQS-UHFFFAOYSA-N 0 0 315.417 2.717 50 0 DFAARN Cc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@H](C)C3)CC(=O)N2C)cc1 ZINC000096181361 426404240 /nfs/dbraw/zinc/40/42/40/426404240.db2.gz YTJPHJQZSFEKPW-YXJHDRRASA-N 0 0 314.429 2.773 50 0 DFAARN Cc1nc(C(=O)N2CCCCC2)cc(N2CCC[C@H](C)C2)n1 ZINC000096182836 426404660 /nfs/dbraw/zinc/40/46/60/426404660.db2.gz AZGAGSMTVADNBS-ZDUSSCGKSA-N 0 0 302.422 2.647 50 0 DFAARN CCn1ccc(NC(=O)CCn2ncc3ccc(Cl)cc32)n1 ZINC000096181944 426405010 /nfs/dbraw/zinc/40/50/10/426405010.db2.gz BKACAQAXNIMCSR-UHFFFAOYSA-N 0 0 317.780 2.935 50 0 DFAARN CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cc(=O)[nH]cn2)C1 ZINC000091873308 426344349 /nfs/dbraw/zinc/34/43/49/426344349.db2.gz WPQZREAVQWVXIL-QGZVFWFLSA-N 0 0 303.406 2.645 50 0 DFAARN CC(C)CCN1C[C@@]2(CCCN(C(=O)NC(C)C)C2)CCC1=O ZINC000091951106 426344909 /nfs/dbraw/zinc/34/49/09/426344909.db2.gz SNZTWONBFRTJAQ-GOSISDBHSA-N 0 0 323.481 2.855 50 0 DFAARN CCOC(=O)c1nc2cc(Cl)ccn2c1Br ZINC000095215804 426365737 /nfs/dbraw/zinc/36/57/37/426365737.db2.gz GPDOZOPNXBHFRD-UHFFFAOYSA-N 0 0 303.543 2.927 50 0 DFAARN O=C(Nc1nc(-c2cccc(F)c2)cs1)N1CC[C@@H](O)C1 ZINC000095351049 426366147 /nfs/dbraw/zinc/36/61/47/426366147.db2.gz SNXNOXSEXVRENY-LLVKDONJSA-N 0 0 307.350 2.548 50 0 DFAARN O=C1CSc2ccccc2N1Cc1noc([C@H]2CCCO2)n1 ZINC000095355568 426366230 /nfs/dbraw/zinc/36/62/30/426366230.db2.gz FUNSNSSVAKJMLR-LLVKDONJSA-N 0 0 317.370 2.560 50 0 DFAARN Cc1ccc(CNC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)o1 ZINC000096192692 426405813 /nfs/dbraw/zinc/40/58/13/426405813.db2.gz WGNFAGNCXNESOY-QGZVFWFLSA-N 0 0 316.332 2.927 50 0 DFAARN CCc1cc(CN(C)C(=O)[C@H](c2ccc(F)cc2)N(C)C)on1 ZINC000095353276 426367135 /nfs/dbraw/zinc/36/71/35/426367135.db2.gz VKJUSEGRYONAPQ-INIZCTEOSA-N 0 0 319.380 2.637 50 0 DFAARN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC000095348553 426367152 /nfs/dbraw/zinc/36/71/52/426367152.db2.gz HOUPTSRGTWVQAW-WBMJQRKESA-N 0 0 311.385 2.501 50 0 DFAARN CCCn1nc(C)c(Cn2cc(-c3nccs3)nn2)c1C ZINC000095354196 426367201 /nfs/dbraw/zinc/36/72/01/426367201.db2.gz FSAGSPIWJYOXMU-UHFFFAOYSA-N 0 0 302.407 2.673 50 0 DFAARN Cc1cc(C2CCC2)nc(N2CCC3(CC2)OCCC[C@@H]3O)n1 ZINC000095366886 426367513 /nfs/dbraw/zinc/36/75/13/426367513.db2.gz LSNVBRMFOHUYPA-INIZCTEOSA-N 0 0 317.433 2.563 50 0 DFAARN Cc1cccc([C@@H](C(=O)NCCCc2ccncc2)N(C)C)c1 ZINC000095364585 426368384 /nfs/dbraw/zinc/36/83/84/426368384.db2.gz ONLABVSDKUEOEW-SFHVURJKSA-N 0 0 311.429 2.742 50 0 DFAARN COc1cccc2c1OC[C@@H](Cc1ccc(NC3CC3)nn1)C2 ZINC000095364185 426368471 /nfs/dbraw/zinc/36/84/71/426368471.db2.gz FAGSBEMCPLNKNS-GFCCVEGCSA-N 0 0 311.385 2.853 50 0 DFAARN Cc1ccc([C@H](C(=O)N2CCC3(CCCO3)CC2)N(C)C)cc1 ZINC000095373078 426368819 /nfs/dbraw/zinc/36/88/19/426368819.db2.gz KZFFWSPDTNNIKG-QGZVFWFLSA-N 0 0 316.445 2.769 50 0 DFAARN COc1ccc2c(ccn(C[C@@H]3CCCCO3)c2=O)c1OC ZINC000095375789 426368847 /nfs/dbraw/zinc/36/88/47/426368847.db2.gz PXPWDSQDVONCNZ-LBPRGKRZSA-N 0 0 303.358 2.588 50 0 DFAARN COc1ccc([C@H](C(=O)[O-])[N@H+](C)Cc2ccncc2C)cc1F ZINC000095374830 426369730 /nfs/dbraw/zinc/36/97/30/426369730.db2.gz FNTAYHZNVFPCDJ-MRXNPFEDSA-N 0 0 318.348 2.795 50 0 DFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC1(O)CCCCC1)C2=O ZINC000095373415 426369895 /nfs/dbraw/zinc/36/98/95/426369895.db2.gz LAIZURCQWVRAOG-FZKQIMNGSA-N 0 0 322.449 2.818 50 0 DFAARN CSc1ccccc1[C@@H](C(=O)[O-])[N@H+](C)CC1CCOCC1 ZINC000095382552 426370314 /nfs/dbraw/zinc/37/03/14/426370314.db2.gz SKFAVGTYCAHSQS-HNNXBMFYSA-N 0 0 309.431 2.893 50 0 DFAARN CC(C)Cc1nc(CN2C(=O)CSc3ccccc32)no1 ZINC000095381470 426370384 /nfs/dbraw/zinc/37/03/84/426370384.db2.gz DINGNLMTJSKISG-UHFFFAOYSA-N 0 0 303.387 2.907 50 0 DFAARN C[C@]1(C(=O)NCc2ccco2)CC(c2cccc(F)c2)=NO1 ZINC000096192964 426405919 /nfs/dbraw/zinc/40/59/19/426405919.db2.gz PVZCFMFAMAJEEE-MRXNPFEDSA-N 0 0 302.305 2.618 50 0 DFAARN CCOCC1CCN(C(=O)[C@H](c2ccccc2F)N(C)C)CC1 ZINC000095387471 426370872 /nfs/dbraw/zinc/37/08/72/426370872.db2.gz VEQNYHRNTPSSTJ-KRWDZBQOSA-N 0 0 322.424 2.704 50 0 DFAARN CCn1nc(Cn2cc(-c3nccs3)nn2)c2ccccc21 ZINC000095383567 426370893 /nfs/dbraw/zinc/37/08/93/426370893.db2.gz MTKDRMVEHSGRSO-UHFFFAOYSA-N 0 0 310.386 2.820 50 0 DFAARN COc1ccc(C2=NO[C@](C)(C(=O)Nc3cc(C)on3)C2)cc1 ZINC000096192817 426405936 /nfs/dbraw/zinc/40/59/36/426405936.db2.gz PJGSELBXMJTXTE-INIZCTEOSA-N 0 0 315.329 2.513 50 0 DFAARN C[C@@H](Nc1ccn(Cc2ccccn2)n1)c1nc(C2CC2)no1 ZINC000095409837 426372049 /nfs/dbraw/zinc/37/20/49/426372049.db2.gz KSRSTJLWZYDDOM-LLVKDONJSA-N 0 0 310.361 2.760 50 0 DFAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CC[C@]2(CCOC2)C1 ZINC000095427120 426372841 /nfs/dbraw/zinc/37/28/41/426372841.db2.gz DLLCVBRNVJHGGC-WBVHZDCISA-N 0 0 322.449 2.690 50 0 DFAARN COc1cccc([C@H](O)COc2ccccc2-c2nnco2)c1 ZINC000095439090 426373301 /nfs/dbraw/zinc/37/33/01/426373301.db2.gz WVNBYQHBMPIGLR-OAHLLOKOSA-N 0 0 312.325 2.858 50 0 DFAARN COC(=O)C1=CN(C(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F ZINC000095626824 426373861 /nfs/dbraw/zinc/37/38/61/426373861.db2.gz KJSAFCCPLVCJJQ-SECBINFHSA-N 0 0 309.284 2.863 50 0 DFAARN O=C([O-])c1ccnc(N2CCC[N@@H+](C3CCCCC3)CC2)c1 ZINC000095500851 426374135 /nfs/dbraw/zinc/37/41/35/426374135.db2.gz JGMUEELHMOGMMO-UHFFFAOYSA-N 0 0 303.406 2.625 50 0 DFAARN Cc1ccc(C)c(NC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000095458169 426374215 /nfs/dbraw/zinc/37/42/15/426374215.db2.gz ZJTPBRYBIOPTEP-YOEHRIQHSA-N 0 0 304.390 2.763 50 0 DFAARN CC(C)(C)OC(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 ZINC000095883809 426374849 /nfs/dbraw/zinc/37/48/49/426374849.db2.gz HSVIEXZTEJKLFK-UHFFFAOYSA-N 0 0 310.325 2.994 50 0 DFAARN CN(Cc1ccn(C)c(=O)c1)Cc1ccccc1Br ZINC000095949540 426376680 /nfs/dbraw/zinc/37/66/80/426376680.db2.gz RZIBBCHAUIRTPQ-UHFFFAOYSA-N 0 0 321.218 2.780 50 0 DFAARN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1cccnc1 ZINC000095959287 426377355 /nfs/dbraw/zinc/37/73/55/426377355.db2.gz RRVUEHDIEBZDBX-CQSZACIVSA-N 0 0 320.389 2.914 50 0 DFAARN COc1ccc(Cl)c(NS(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000095960868 426377480 /nfs/dbraw/zinc/37/74/80/426377480.db2.gz UXKCOUYBOVWYTR-JTQLQIEISA-N 0 0 318.826 2.737 50 0 DFAARN CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCCN2C)c1 ZINC000095956501 426377581 /nfs/dbraw/zinc/37/75/81/426377581.db2.gz AOSRUBCWYIZUTH-OAHLLOKOSA-N 0 0 303.406 2.704 50 0 DFAARN CO[C@H](CNC(=O)c1ccncc1O)c1cccc(Cl)c1 ZINC000095965931 426378172 /nfs/dbraw/zinc/37/81/72/426378172.db2.gz VDENJALLSXDJAX-CQSZACIVSA-N 0 0 306.749 2.558 50 0 DFAARN O=C(CC[C@H]1CCCOC1)NCc1noc(-c2ccsc2)n1 ZINC000095963438 426378250 /nfs/dbraw/zinc/37/82/50/426378250.db2.gz JYBAZZFFHMSXIG-LLVKDONJSA-N 0 0 321.402 2.621 50 0 DFAARN Cc1cc(C(=O)Nc2cc(F)ccc2Br)n(C)n1 ZINC000095965176 426378791 /nfs/dbraw/zinc/37/87/91/426378791.db2.gz CHVFZHBHCMHNND-UHFFFAOYSA-N 0 0 312.142 2.882 50 0 DFAARN C[C@@H](O)CCN(C)C(=O)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000095971262 426379164 /nfs/dbraw/zinc/37/91/64/426379164.db2.gz UNLIYKOBFLNJPT-BDAKNGLRSA-N 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HUDRHILGYQXUDX-WDMOLILDSA-N 0 0 310.369 2.762 50 0 DFAARN CSc1ccsc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000095977757 426381437 /nfs/dbraw/zinc/38/14/37/426381437.db2.gz UKIYWEVXCVTTEZ-WCQYABFASA-N 0 0 305.424 2.858 50 0 DFAARN COc1cccc([C@H](O)C(=O)NC[C@@H](C)c2ccsc2)c1 ZINC000095979449 426381518 /nfs/dbraw/zinc/38/15/18/426381518.db2.gz BOSDMTJXJDYDGD-ABAIWWIYSA-N 0 0 305.399 2.710 50 0 DFAARN Cc1ccc2[nH]c(C(=O)N3CCC(n4ccnn4)CC3)cc2c1C ZINC000095979317 426381721 /nfs/dbraw/zinc/38/17/21/426381721.db2.gz IGGRFJAJHHWUKX-UHFFFAOYSA-N 0 0 323.400 2.854 50 0 DFAARN CCCO[C@@H]1CCCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC000095978396 426381836 /nfs/dbraw/zinc/38/18/36/426381836.db2.gz KZAQUVORJSLQQY-IUODEOHRSA-N 0 0 307.438 2.938 50 0 DFAARN COc1cc(F)cc(NC(=O)NCc2cccc(N(C)C)n2)c1 ZINC000095981900 426382509 /nfs/dbraw/zinc/38/25/09/426382509.db2.gz CIQITJONKWABEJ-UHFFFAOYSA-N 0 0 318.352 2.617 50 0 DFAARN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CC1=CCCCC1 ZINC000095983554 426382809 /nfs/dbraw/zinc/38/28/09/426382809.db2.gz XBZCYGRXSPQEQE-INIZCTEOSA-N 0 0 317.433 2.827 50 0 DFAARN CC[C@@H]1Oc2cc([C@@H](C)NCc3cc(C)on3)ccc2NC1=O ZINC000095985476 426383503 /nfs/dbraw/zinc/38/35/03/426383503.db2.gz VXJKAHRAAGMOLH-ABAIWWIYSA-N 0 0 315.373 2.943 50 0 DFAARN COc1cccc(F)c1[C@H](C)NCc1nnc(C2CC2)n1C ZINC000095985410 426384243 /nfs/dbraw/zinc/38/42/43/426384243.db2.gz XWRJRZRCNURPPN-JTQLQIEISA-N 0 0 304.369 2.691 50 0 DFAARN Cc1ccc(S(=O)(=O)Nc2ccncc2F)cc1Cl ZINC000095994058 426384890 /nfs/dbraw/zinc/38/48/90/426384890.db2.gz XSHRNRIEXLSCBY-UHFFFAOYSA-N 0 0 300.742 2.983 50 0 DFAARN C[C@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)n1cccc1 ZINC000095992389 426385240 /nfs/dbraw/zinc/38/52/40/426385240.db2.gz KHNSRXOUGUZERL-OAHLLOKOSA-N 0 0 313.401 2.520 50 0 DFAARN CC(C)N1CCO[C@H](c2noc(Cc3ccc(F)cc3)n2)C1 ZINC000095999273 426385834 /nfs/dbraw/zinc/38/58/34/426385834.db2.gz RMGCWLPRVSWWKB-AWEZNQCLSA-N 0 0 305.353 2.581 50 0 DFAARN CC(C)(C)C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)C(F)(F)F 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/nfs/dbraw/zinc/11/69/66/181116966.db2.gz WZVIUAANNJFKEC-LBPRGKRZSA-N 0 0 305.721 2.768 50 0 DFAARN COCCSc1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000004510418 181117463 /nfs/dbraw/zinc/11/74/63/181117463.db2.gz TZSXXCBVKXGOKY-UHFFFAOYSA-N 0 0 313.379 2.668 50 0 DFAARN CC[C@@H](NC(=O)c1csnn1)c1nc(C(F)(F)F)cs1 ZINC000073278770 191300277 /nfs/dbraw/zinc/30/02/77/191300277.db2.gz DENBWVDOWKVNEE-RXMQYKEDSA-N 0 0 322.337 2.895 50 0 DFAARN O=C(Cc1ccc(Cl)cc1)NC(=S)NCc1ccco1 ZINC000004515234 181118401 /nfs/dbraw/zinc/11/84/01/181118401.db2.gz MDBYPQDAUVGMPX-UHFFFAOYSA-N 0 0 308.790 2.666 50 0 DFAARN C[C@@H]1CCCN(C(=O)COC(=O)c2ccc3ncsc3c2)C1 ZINC000004546969 181123212 /nfs/dbraw/zinc/12/32/12/181123212.db2.gz AAGUIDAXNBMURN-LLVKDONJSA-N 0 0 318.398 2.712 50 0 DFAARN CCCC[C@H](CC)CNC(=O)CCC(=O)NCc1ccccn1 ZINC000004663556 181133425 /nfs/dbraw/zinc/13/34/25/181133425.db2.gz BNGSHIWXCHMNSJ-HNNXBMFYSA-N 0 0 319.449 2.811 50 0 DFAARN CCCC[C@@H](CC)CNC(=O)CCC(=O)NCc1ccccn1 ZINC000004663555 181133458 /nfs/dbraw/zinc/13/34/58/181133458.db2.gz BNGSHIWXCHMNSJ-OAHLLOKOSA-N 0 0 319.449 2.811 50 0 DFAARN CCOc1ccc(S(=O)(=O)Nc2ccncc2)c(C)c1C ZINC000004660780 181133570 /nfs/dbraw/zinc/13/35/70/181133570.db2.gz SFRBUUOSVDJYFY-UHFFFAOYSA-N 0 0 306.387 2.898 50 0 DFAARN CCOC(=O)C[C@H](NC(=O)C1CC1)c1ccc(OCC)cc1 ZINC000004653339 181132282 /nfs/dbraw/zinc/13/22/82/181132282.db2.gz LXXOQGHFDGOJLJ-HNNXBMFYSA-N 0 0 305.374 2.606 50 0 DFAARN COc1cccc(OCC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000004688444 181137105 /nfs/dbraw/zinc/13/71/05/181137105.db2.gz DWGXLPFTOWRZFM-UHFFFAOYSA-N 0 0 300.358 2.779 50 0 DFAARN C(=C/c1cccnc1)\c1nn2c(nnc2-c2cccnc2)s1 ZINC000004710223 181140470 /nfs/dbraw/zinc/14/04/70/181140470.db2.gz CLVFCWHVKLWKGH-AATRIKPKSA-N 0 0 306.354 2.813 50 0 DFAARN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000004705199 181140704 /nfs/dbraw/zinc/14/07/04/181140704.db2.gz NVOUITDGHNRCPU-IUODEOHRSA-N 0 0 304.390 2.719 50 0 DFAARN O=C(Nc1ccc(Cl)cn1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000004731670 181143800 /nfs/dbraw/zinc/14/38/00/181143800.db2.gz WRIKJVWEYQJHDF-NSHDSACASA-N 0 0 315.760 2.727 50 0 DFAARN CN1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1=O ZINC000045153528 283038757 /nfs/dbraw/zinc/03/87/57/283038757.db2.gz XZFHGHNINWHZIT-UKRRQHHQSA-N 0 0 320.820 2.872 50 0 DFAARN O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000004783840 181151649 /nfs/dbraw/zinc/15/16/49/181151649.db2.gz JMFQIGHQFLQFMQ-INIZCTEOSA-N 0 0 316.401 2.867 50 0 DFAARN COc1ccc2[nH]c(C)c(CCNC(=O)C(F)(F)F)c2c1 ZINC000004786468 181152544 /nfs/dbraw/zinc/15/25/44/181152544.db2.gz IXHCCEUPNCGRLJ-UHFFFAOYSA-N 0 0 300.280 2.706 50 0 biogenic,in-vitro DFAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000004809622 181154790 /nfs/dbraw/zinc/15/47/90/181154790.db2.gz KJCGEINEBWWNAD-UHFFFAOYSA-N 0 0 323.805 2.771 50 0 DFAARN C[C@@H](Sc1ccccn1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004835327 181159803 /nfs/dbraw/zinc/15/98/03/181159803.db2.gz FKQINYKCDOVBIX-LLVKDONJSA-N 0 0 316.382 2.607 50 0 DFAARN C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)o2)C1 ZINC000004836054 181160234 /nfs/dbraw/zinc/16/02/34/181160234.db2.gz YEXFOJWWBIGQPV-SNVBAGLBSA-N 0 0 307.375 2.680 50 0 DFAARN CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1ccccc1 ZINC000004839886 181160491 /nfs/dbraw/zinc/16/04/91/181160491.db2.gz WWSLYPDUSBUROR-UHFFFAOYSA-N 0 0 308.381 2.989 50 0 DFAARN COc1ccc2nc(NC(=O)CN3CCC(C)CC3)sc2c1 ZINC000004833459 181159256 /nfs/dbraw/zinc/15/92/56/181159256.db2.gz RITFBPXIZBJILT-UHFFFAOYSA-N 0 0 319.430 2.975 50 0 DFAARN Cc1ccc(-c2nc(CN[C@@H](C(N)=O)c3ccccc3)co2)cc1 ZINC000073412119 191313977 /nfs/dbraw/zinc/31/39/77/191313977.db2.gz YKSVHZFJCTVPGD-QGZVFWFLSA-N 0 0 321.380 2.966 50 0 DFAARN CCc1cccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c1 ZINC000004852190 181163196 /nfs/dbraw/zinc/16/31/96/181163196.db2.gz VVGKWDFDCDROQX-UHFFFAOYSA-N 0 0 321.384 2.723 50 0 DFAARN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2o1 ZINC000004867216 181165645 /nfs/dbraw/zinc/16/56/45/181165645.db2.gz RXFPYQONERLGIP-UHFFFAOYSA-N 0 0 324.745 2.575 50 0 DFAARN Cc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)o1 ZINC000004868148 181165705 /nfs/dbraw/zinc/16/57/05/181165705.db2.gz CVBNBUFPDWNAAX-UHFFFAOYSA-N 0 0 306.749 2.918 50 0 DFAARN CCCc1cc(=O)[nH]c(SCC(=O)NCC2CCCCC2)n1 ZINC000004861719 181165021 /nfs/dbraw/zinc/16/50/21/181165021.db2.gz TUEBAMUUEKNTRR-UHFFFAOYSA-N 0 0 323.462 2.511 50 0 DFAARN COc1cc(OC)cc(C2=NC3(CCCCCC3)NC2=O)c1 ZINC000004891317 181168434 /nfs/dbraw/zinc/16/84/34/181168434.db2.gz VQMCRGWRBZNAIL-UHFFFAOYSA-N 0 0 302.374 2.673 50 0 DFAARN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000004891320 181168519 /nfs/dbraw/zinc/16/85/19/181168519.db2.gz TWKBUSCHRQVYSE-UHFFFAOYSA-N 0 0 323.348 2.853 50 0 DFAARN CSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C ZINC000004913634 181172545 /nfs/dbraw/zinc/17/25/45/181172545.db2.gz GCBNDIWIWZKKMF-AWEZNQCLSA-N 0 0 319.426 2.779 50 0 DFAARN Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)c(C)c1 ZINC000004935888 181175280 /nfs/dbraw/zinc/17/52/80/181175280.db2.gz WIVFGMSQJHJDCH-UHFFFAOYSA-N 0 0 323.400 2.929 50 0 DFAARN C[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000004943176 181176771 /nfs/dbraw/zinc/17/67/71/181176771.db2.gz CLCPIWPAHNVTNV-LLVKDONJSA-N 0 0 301.371 2.602 50 0 DFAARN NC(=O)c1cnc(Sc2nnc(C3CC3)s2)c(Cl)c1 ZINC000074778073 191359481 /nfs/dbraw/zinc/35/94/81/191359481.db2.gz ZHFOCOMSWGGRTK-UHFFFAOYSA-N 0 0 312.807 2.714 50 0 DFAARN Cc1ccccc1-c1cc(NC(=O)[C@@H](C)n2cccn2)n(C)n1 ZINC000074286510 191352900 /nfs/dbraw/zinc/35/29/00/191352900.db2.gz OJOHXONPCUOTKP-CYBMUJFWSA-N 0 0 309.373 2.792 50 0 DFAARN COC[C@H]1CCCN(C(=O)NC[C@H](OC)c2ccc(F)cc2)C1 ZINC000074928561 191388264 /nfs/dbraw/zinc/38/82/64/191388264.db2.gz AMFXRWILPBXANL-BBRMVZONSA-N 0 0 324.396 2.581 50 0 DFAARN Cc1c(Br)cccc1C(=O)N(C)c1ccnn1C ZINC000074959151 191396003 /nfs/dbraw/zinc/39/60/03/191396003.db2.gz JXFINFMNJBAEAQ-UHFFFAOYSA-N 0 0 308.179 2.768 50 0 DFAARN O=C(c1ccco1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000004976245 181183109 /nfs/dbraw/zinc/18/31/09/181183109.db2.gz KPXBIHAVJSOLAT-UHFFFAOYSA-N 0 0 324.380 2.721 50 0 DFAARN O=C(NCc1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000047243512 398741427 /nfs/dbraw/zinc/74/14/27/398741427.db2.gz RENOOBCAUVKVLJ-UHFFFAOYSA-N 0 0 306.353 2.639 50 0 DFAARN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000074803180 191363836 /nfs/dbraw/zinc/36/38/36/191363836.db2.gz QUPDKKSUTXVOGC-KRWDZBQOSA-N 0 0 320.392 2.847 50 0 DFAARN COc1cccc(-c2noc([C@@H](C)NC(=O)N(C)C3CC3)n2)c1 ZINC000074895760 191381624 /nfs/dbraw/zinc/38/16/24/191381624.db2.gz MCKCKCLIZRRGBV-SNVBAGLBSA-N 0 0 316.361 2.610 50 0 DFAARN CN1CCN(C2CCN(c3nc4ccccc4s3)CC2)C1=O ZINC000075128558 191425201 /nfs/dbraw/zinc/42/52/01/191425201.db2.gz HALRVLZYIHNSMW-UHFFFAOYSA-N 0 0 316.430 2.633 50 0 DFAARN C[C@@](O)(CNC(=O)Nc1cccs1)c1ccc2c(c1)OCO2 ZINC000075155476 191433683 /nfs/dbraw/zinc/43/36/83/191433683.db2.gz OYGGCUGEPGZNSB-OAHLLOKOSA-N 0 0 320.370 2.506 50 0 DFAARN CC[C@@H](NC(=O)c1cccc(N(C)C)c1)c1c(C)nn(C)c1C ZINC000075196244 191440802 /nfs/dbraw/zinc/44/08/02/191440802.db2.gz IRODZKZRUVVISU-MRXNPFEDSA-N 0 0 314.433 2.984 50 0 DFAARN CCOC(=O)[C@@H]1CCCCN1Cc1cc(OC)ccc1OC ZINC000004990112 181186144 /nfs/dbraw/zinc/18/61/44/181186144.db2.gz BGXIENKQZQUYCY-HNNXBMFYSA-N 0 0 307.390 2.621 50 0 DFAARN CCn1c(CCNC(=O)c2ccc(C)s2)nc2cccnc21 ZINC000075494566 191480179 /nfs/dbraw/zinc/48/01/79/191480179.db2.gz DFECOUWDIARGRA-UHFFFAOYSA-N 0 0 314.414 2.794 50 0 DFAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccncc3)n2)cc1 ZINC000004998279 181187397 /nfs/dbraw/zinc/18/73/97/181187397.db2.gz JEADZWMIVPHTAQ-GFCCVEGCSA-N 0 0 308.341 2.931 50 0 DFAARN CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 ZINC000005008664 181190079 /nfs/dbraw/zinc/19/00/79/181190079.db2.gz BPMPPHQSGYQWRY-HNNXBMFYSA-N 0 0 318.373 2.666 50 0 DFAARN CC(C)(C)c1nnc2sc([C@H]3COc4ccccc4O3)nn21 ZINC000005015476 181191151 /nfs/dbraw/zinc/19/11/51/181191151.db2.gz KQNXYCMNSUUNRG-LLVKDONJSA-N 0 0 316.386 2.996 50 0 DFAARN CC1CCN(C(=O)c2ccc(NC[C@@H]3CCC[C@H]3O)nc2)CC1 ZINC000076061411 191565640 /nfs/dbraw/zinc/56/56/40/191565640.db2.gz GUVQPYIAWAYGGT-GOEBONIOSA-N 0 0 317.433 2.527 50 0 DFAARN COc1ccc(Cl)cc1C(=O)NC[C@](C)(O)c1ccco1 ZINC000076088639 191576001 /nfs/dbraw/zinc/57/60/01/191576001.db2.gz VAQAYUSEJGISAO-HNNXBMFYSA-N 0 0 309.749 2.579 50 0 DFAARN O=C(c1ccc(COc2ccccc2Cl)o1)N1CCOCC1 ZINC000005032818 181194179 /nfs/dbraw/zinc/19/41/79/181194179.db2.gz FBYGGHVSVHPAAI-UHFFFAOYSA-N 0 0 321.760 2.984 50 0 DFAARN C[C@H](NC(=O)c1c(N)n(C)c2ccccc2c1=O)c1ccccc1 ZINC000005031509 181194184 /nfs/dbraw/zinc/19/41/84/181194184.db2.gz BXFAGUPZDOLTMI-LBPRGKRZSA-N 0 0 321.380 2.612 50 0 DFAARN Cc1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)s1 ZINC000005054434 181197979 /nfs/dbraw/zinc/19/79/79/181197979.db2.gz HOFSKGUFYKFNOZ-UHFFFAOYSA-N 0 0 318.427 2.575 50 0 DFAARN Cc1nnc(SCC(=O)Nc2cccnc2Cl)s1 ZINC000005053895 181198155 /nfs/dbraw/zinc/19/81/55/181198155.db2.gz ACQHYBAIFLULKF-UHFFFAOYSA-N 0 0 300.796 2.626 50 0 DFAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc(F)c2)cc1 ZINC000005051541 181196880 /nfs/dbraw/zinc/19/68/80/181196880.db2.gz RUDXUKUWUWLTHS-UHFFFAOYSA-N 0 0 307.346 2.547 50 0 DFAARN CC[C@@H](C)Oc1ccccc1OCCN1C(=O)NC(C)(C)C1=O ZINC000005065383 181199845 /nfs/dbraw/zinc/19/98/45/181199845.db2.gz LFHDZSLDJYEGOI-GFCCVEGCSA-N 0 0 320.389 2.573 50 0 DFAARN COc1cc(CNC(=O)CCCC/C=C/C(C)(C)O)ccc1O ZINC000077293452 191688318 /nfs/dbraw/zinc/68/83/18/191688318.db2.gz OGBQQOBPAFILCJ-YRNVUSSQSA-N 0 0 321.417 2.905 50 0 in-vitro DFAARN Cc1noc(C)c1CCCNC(=O)c1cccc(-n2cccn2)c1 ZINC000077339576 191695924 /nfs/dbraw/zinc/69/59/24/191695924.db2.gz IIBRLPCMHRBWMO-UHFFFAOYSA-N 0 0 324.384 2.840 50 0 DFAARN CCOc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1 ZINC000005060910 181199037 /nfs/dbraw/zinc/19/90/37/181199037.db2.gz UQUMIRRCCKARKL-UHFFFAOYSA-N 0 0 315.325 2.832 50 0 DFAARN Cc1cnn(CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000005061018 181199322 /nfs/dbraw/zinc/19/93/22/181199322.db2.gz FXYNVWXZDDHQFS-UHFFFAOYSA-N 0 0 316.449 2.850 50 0 DFAARN CO[C@@H](C(=O)NC[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000077634864 191745566 /nfs/dbraw/zinc/74/55/66/191745566.db2.gz UYZDYIJTQBIURD-GDBMZVCRSA-N 0 0 321.323 2.502 50 0 DFAARN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cccnc1 ZINC000077648328 191748419 /nfs/dbraw/zinc/74/84/19/191748419.db2.gz KIKAOYIDBPQEQW-LBPRGKRZSA-N 0 0 311.168 2.852 50 0 DFAARN COc1cccc(OC[C@@H]2CCCN(C(=O)CSC)C2)c1 ZINC000077406609 191709380 /nfs/dbraw/zinc/70/93/80/191709380.db2.gz WPRKAUDHXIDSTP-CYBMUJFWSA-N 0 0 309.431 2.676 50 0 DFAARN Cc1ccc(N2C[C@@H](NC(=O)N3CCCCCC3)CC2=O)cc1 ZINC000005123312 181206607 /nfs/dbraw/zinc/20/66/07/181206607.db2.gz JITHRFNPGCBOKX-HNNXBMFYSA-N 0 0 315.417 2.686 50 0 DFAARN CSC[C@H](CCO)NC(=O)Nc1cc(Cl)ccc1F ZINC000077671702 191753761 /nfs/dbraw/zinc/75/37/61/191753761.db2.gz JLGKYFRGLFKVRV-VIFPVBQESA-N 0 0 306.790 2.715 50 0 DFAARN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000005120251 181205924 /nfs/dbraw/zinc/20/59/24/181205924.db2.gz SEOHEMTUYUYOEC-LLVKDONJSA-N 0 0 309.362 2.874 50 0 DFAARN COc1cc(COC(=O)c2c(C)nn3cccnc23)ccc1C ZINC000077961432 191802080 /nfs/dbraw/zinc/80/20/80/191802080.db2.gz NUCKOGBSQYFECY-UHFFFAOYSA-N 0 0 311.341 2.712 50 0 DFAARN Cc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1 ZINC000005170825 181213007 /nfs/dbraw/zinc/21/30/07/181213007.db2.gz AJQKZGHDGKAJDN-UHFFFAOYSA-N 0 0 313.382 2.565 50 0 DFAARN CCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1 ZINC000005155014 181211216 /nfs/dbraw/zinc/21/12/16/181211216.db2.gz SWVFOXROTYEIPG-UHFFFAOYSA-N 0 0 323.805 2.717 50 0 DFAARN CSC[C@@H](CCO)Nc1nc(-c2cccnc2)nc(C)c1C ZINC000078301693 191844515 /nfs/dbraw/zinc/84/45/15/191844515.db2.gz YYQFFCZYGXSKQP-CQSZACIVSA-N 0 0 318.446 2.681 50 0 DFAARN COc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C=O)cc1 ZINC000078549309 191882907 /nfs/dbraw/zinc/88/29/07/191882907.db2.gz DWXSAVXAEOULJV-INIZCTEOSA-N 0 0 324.336 2.731 50 0 DFAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N(CC(F)F)C2CC2)C1 ZINC000078550603 191883292 /nfs/dbraw/zinc/88/32/92/191883292.db2.gz HIABZRJDFVHABQ-NSHDSACASA-N 0 0 316.392 2.527 50 0 DFAARN C[C@H]1CN(C(=O)Nc2nnc(CC3CCCC3)s2)CCO1 ZINC000078441654 191863024 /nfs/dbraw/zinc/86/30/24/191863024.db2.gz BRMSICVMOQHHRF-JTQLQIEISA-N 0 0 310.423 2.523 50 0 DFAARN COc1ccc(N2C[C@H](NC(=O)c3ccc(C)cc3)CC2=O)cc1 ZINC000005195224 181215840 /nfs/dbraw/zinc/21/58/40/181215840.db2.gz LABKFVBKDVNICJ-OAHLLOKOSA-N 0 0 324.380 2.539 50 0 DFAARN Cc1ccc(Cl)cc1NNS(=O)(=O)c1cccc(N)c1 ZINC000005218442 181218542 /nfs/dbraw/zinc/21/85/42/181218542.db2.gz ZJSYLANFGPPDOW-UHFFFAOYSA-N 0 0 311.794 2.536 50 0 DFAARN C[C@@H](NC=O)c1nc2ccccc2n1CCOc1ccccc1 ZINC000005235861 181219664 /nfs/dbraw/zinc/21/96/64/181219664.db2.gz WNSACIUTNQYNRT-CQSZACIVSA-N 0 0 309.369 2.922 50 0 DFAARN Cn1c([C@H]2CCCN(C(=O)C3(C)CCCC3)C2)n[nH]c1=S ZINC000078621873 191897855 /nfs/dbraw/zinc/89/78/55/191897855.db2.gz NMOJYDSHLWZWAX-NSHDSACASA-N 0 0 308.451 2.764 50 0 DFAARN Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCCCC2)cc1Cl ZINC000005258208 181222828 /nfs/dbraw/zinc/22/28/28/181222828.db2.gz DUTULENSZUZQIU-AWEZNQCLSA-N 0 0 324.808 2.916 50 0 DFAARN COc1ccc2c(ccn2CCC(=O)NCCc2ccccn2)c1 ZINC000079488184 191942526 /nfs/dbraw/zinc/94/25/26/191942526.db2.gz WVJSEGUFXCZBRY-UHFFFAOYSA-N 0 0 323.396 2.794 50 0 DFAARN COc1ccc(-c2nnc(NC(=O)c3ccco3)o2)cc1OC ZINC000005372381 181235294 /nfs/dbraw/zinc/23/52/94/181235294.db2.gz GFPIVJBOVWEWEQ-UHFFFAOYSA-N 0 0 315.285 2.599 50 0 DFAARN O=C(NCCc1ccc(Cl)s1)[C@@H]1CCCc2n[nH]cc21 ZINC000133003434 283136684 /nfs/dbraw/zinc/13/66/84/283136684.db2.gz RUXBTHJQTHVROX-SNVBAGLBSA-N 0 0 309.822 2.903 50 0 DFAARN CC(=O)Oc1ccccc1-c1nc(N)nc(-c2ccccc2)n1 ZINC000005383346 181237026 /nfs/dbraw/zinc/23/70/26/181237026.db2.gz LQIVIFYHHLCRLK-UHFFFAOYSA-N 0 0 306.325 2.713 50 0 DFAARN CCCNC(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000005381873 181237309 /nfs/dbraw/zinc/23/73/09/181237309.db2.gz LBDZOTBVLDIJKU-UHFFFAOYSA-N 0 0 302.374 2.560 50 0 DFAARN Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccccc3C)n2)c1 ZINC000005326901 181229434 /nfs/dbraw/zinc/22/94/34/181229434.db2.gz XPOYOFBWKBKTAC-UHFFFAOYSA-N 0 0 321.384 2.904 50 0 DFAARN CCc1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000005326905 181229504 /nfs/dbraw/zinc/22/95/04/181229504.db2.gz YITHBKIADDFECP-UHFFFAOYSA-N 0 0 321.384 2.850 50 0 DFAARN CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1 ZINC000005326919 181229821 /nfs/dbraw/zinc/22/98/21/181229821.db2.gz GUVYLGSKABNXAT-UHFFFAOYSA-N 0 0 321.384 2.850 50 0 DFAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC2(CC1)OCCO2 ZINC000005348467 181233148 /nfs/dbraw/zinc/23/31/48/181233148.db2.gz OAYFQRBHKDVBAN-UHFFFAOYSA-N 0 0 320.776 2.800 50 0 DFAARN CCn1c(C)c(C(=O)NC[C@@H]2CCCO2)c2cc(OC)ccc21 ZINC000005354702 181233620 /nfs/dbraw/zinc/23/36/20/181233620.db2.gz BUHHAVKNHBZCRH-AWEZNQCLSA-N 0 0 316.401 2.887 50 0 DFAARN COc1ccc(C2(C(=O)Nc3ccncc3)CCOCC2)cc1 ZINC000005423495 181242166 /nfs/dbraw/zinc/24/21/66/181242166.db2.gz PNMXLZSNZMWDEE-UHFFFAOYSA-N 0 0 312.369 2.777 50 0 DFAARN CCCC(=O)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 ZINC000005426885 181242247 /nfs/dbraw/zinc/24/22/47/181242247.db2.gz WZKPXGNSSHEBQD-UHFFFAOYSA-N 0 0 320.702 2.818 50 0 DFAARN CCSc1nnc(NC(=O)Cc2cccc(OC)c2)s1 ZINC000005443207 181244449 /nfs/dbraw/zinc/24/44/49/181244449.db2.gz NZKDESBHBMFOKA-UHFFFAOYSA-N 0 0 309.416 2.840 50 0 DFAARN COc1cccc(CNC(=O)CCc2nc3ccccc3[nH]2)c1 ZINC000005452296 181244583 /nfs/dbraw/zinc/24/45/83/181244583.db2.gz NPESKMWGJDQHNZ-UHFFFAOYSA-N 0 0 309.369 2.821 50 0 DFAARN COc1ccc(NC(=O)CSc2nc3cccnc3[nH]2)cc1 ZINC000005455014 181245721 /nfs/dbraw/zinc/24/57/21/181245721.db2.gz SXVUWVUYEIBPHJ-UHFFFAOYSA-N 0 0 314.370 2.697 50 0 DFAARN O=C([C@H](Sc1cccc[n+]1[O-])c1ccccc1)N1CCCC1 ZINC000005466419 181246823 /nfs/dbraw/zinc/24/68/23/181246823.db2.gz CTKKNEZJVXEUCC-MRXNPFEDSA-N 0 0 314.410 2.776 50 0 DFAARN c1nc2c3c4c(sc3nc(NCc3cccnc3)n2n1)CCC4 ZINC000005516370 181252465 /nfs/dbraw/zinc/25/24/65/181252465.db2.gz JXRQAMTVFSWNGV-UHFFFAOYSA-N 0 0 322.397 2.835 50 0 DFAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C1CCC1 ZINC000005507497 181251104 /nfs/dbraw/zinc/25/11/04/181251104.db2.gz VYKUVMOMJMLCNG-UHFFFAOYSA-N 0 0 311.765 2.939 50 0 DFAARN Cc1csc2nc(COC(=O)c3cccc(F)c3)cc(=O)n12 ZINC000005632449 181266097 /nfs/dbraw/zinc/26/60/97/181266097.db2.gz LZGFRDVUIYAMNN-UHFFFAOYSA-N 0 0 318.329 2.561 50 0 DFAARN Cc1ccc(CN(C)C(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000005675083 181270932 /nfs/dbraw/zinc/27/09/32/181270932.db2.gz FZEZUQSXHULXAF-UHFFFAOYSA-N 0 0 321.380 2.514 50 0 DFAARN COc1ccc(CNC(=O)COc2cccc(C(C)=O)c2)cc1 ZINC000005680774 181271433 /nfs/dbraw/zinc/27/14/33/181271433.db2.gz GXMPDSRIRXTDFE-UHFFFAOYSA-N 0 0 313.353 2.593 50 0 DFAARN COc1ccc2c(COC(=O)c3ccccn3)cc(=O)oc2c1 ZINC000005693009 181273765 /nfs/dbraw/zinc/27/37/65/181273765.db2.gz MQWYKKWFWLXYMU-UHFFFAOYSA-N 0 0 311.293 2.554 50 0 DFAARN COc1ccc(C)cc1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000005701250 181274042 /nfs/dbraw/zinc/27/40/42/181274042.db2.gz AKABLAINPOSKOM-UHFFFAOYSA-N 0 0 313.353 2.956 50 0 DFAARN CCn1ccc2ccc(NC(=O)c3c(C)c(C)nn(C)c3=O)cc21 ZINC000074807486 398768702 /nfs/dbraw/zinc/76/87/02/398768702.db2.gz UJVVCSUGJCKBHN-UHFFFAOYSA-N 0 0 324.384 2.624 50 0 DFAARN C[C@H]1CCN(C(=O)CSc2nc[nH]n2)c2ccccc2S1 ZINC000005736740 181278870 /nfs/dbraw/zinc/27/88/70/181278870.db2.gz SBLKKHWSROVNSZ-JTQLQIEISA-N 0 0 320.443 2.814 50 0 DFAARN O=C(C[C@H]1CCS(=O)(=O)C1)Oc1cccc2ccccc21 ZINC000005739929 181279081 /nfs/dbraw/zinc/27/90/81/181279081.db2.gz LFYDLLXEUCBXKS-GFCCVEGCSA-N 0 0 304.367 2.570 50 0 DFAARN O=C(CCn1cncn1)N1CCc2c1cccc2-c1ccccc1 ZINC000184389230 199711145 /nfs/dbraw/zinc/71/11/45/199711145.db2.gz KKCSDGZCJCNNPA-UHFFFAOYSA-N 0 0 318.380 2.925 50 0 DFAARN O=C(COC(=O)c1ccc(F)cc1)NCCCc1ccccc1 ZINC000005754496 181280584 /nfs/dbraw/zinc/28/05/84/181280584.db2.gz SVRYXYDGNBNNNP-UHFFFAOYSA-N 0 0 315.344 2.732 50 0 DFAARN Cc1c(Cl)c(C2N=NC(=S)N2Cc2ccco2)nn1C ZINC000005730190 181277983 /nfs/dbraw/zinc/27/79/83/181277983.db2.gz OLLDYWCBGXVHIR-UHFFFAOYSA-N 0 0 309.782 2.570 50 0 DFAARN O=C(Cc1cnc2ccccc2c1)N1CCC(n2ccnc2)CC1 ZINC000118782678 398772440 /nfs/dbraw/zinc/77/24/40/398772440.db2.gz JEBYQVDQJHEIRX-UHFFFAOYSA-N 0 0 320.396 2.838 50 0 DFAARN O=C(NCC1(O)CCC1)N[C@@H](c1ccccn1)C1CCCC1 ZINC000074906874 398774454 /nfs/dbraw/zinc/77/44/54/398774454.db2.gz MQAJGLVWRFXLNU-OAHLLOKOSA-N 0 0 303.406 2.527 50 0 DFAARN C[C@H]1COCCN1C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000074894277 398773502 /nfs/dbraw/zinc/77/35/02/398773502.db2.gz WFKYRQVPHCJIEH-BONVTDFDSA-N 0 0 310.344 2.846 50 0 DFAARN CCn1c2ccccc2n(C[C@@H](O)c2ccc(F)cc2F)c1=O ZINC000051291514 425882760 /nfs/dbraw/zinc/88/27/60/425882760.db2.gz VVFMAUCRBNBEDZ-MRXNPFEDSA-N 0 0 318.323 2.835 50 0 DFAARN Cc1cn(CC(=O)N[C@@H]2c3ccccc3C[C@H]2O)c2ccccc12 ZINC000075092595 398784302 /nfs/dbraw/zinc/78/43/02/398784302.db2.gz MEYZOSCKPPKHEH-UYAOXDASSA-N 0 0 320.392 2.724 50 0 DFAARN CCN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc2ccccc21 ZINC000075108088 398786868 /nfs/dbraw/zinc/78/68/68/398786868.db2.gz PQGYSEBKBHDZHI-AWEZNQCLSA-N 0 0 319.426 2.887 50 0 DFAARN Cc1cccc(-c2ccc(C(=O)NCc3ccco3)c(=O)[nH]2)c1 ZINC000075117406 398787472 /nfs/dbraw/zinc/78/74/72/398787472.db2.gz IJNAWWWUEDGMKV-UHFFFAOYSA-N 0 0 308.337 2.873 50 0 DFAARN C[C@]12CN(C3CCCCC3)C(=O)[C@@]1(O)Nc1ccc(Cl)cc12 ZINC000048533383 398785720 /nfs/dbraw/zinc/78/57/20/398785720.db2.gz VQXGYPMRJMAXMQ-SJORKVTESA-N 0 0 320.820 2.887 50 0 DFAARN COc1ccc(NC(=O)c2c(C)cc(C)[nH]c2=O)c(Cl)c1 ZINC000075127144 398788196 /nfs/dbraw/zinc/78/81/96/398788196.db2.gz QDFCTZOGOPRMKO-UHFFFAOYSA-N 0 0 306.749 2.906 50 0 DFAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2nc[nH]n2)cc1 ZINC000005831798 181287714 /nfs/dbraw/zinc/28/77/14/181287714.db2.gz SQOJGGSADMADNO-UHFFFAOYSA-N 0 0 302.378 2.900 50 0 DFAARN COC(=O)/C(C)=C/CSc1n[nH]c(-c2ccccc2F)n1 ZINC000075148476 398788644 /nfs/dbraw/zinc/78/86/44/398788644.db2.gz GBNJVKFNIHCUFL-VQHVLOKHSA-N 0 0 307.350 2.822 50 0 DFAARN COC(=O)N(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)OC1=O ZINC000075272063 398794511 /nfs/dbraw/zinc/79/45/11/398794511.db2.gz FWYGHYKMEPEJDC-ZIAGYGMSSA-N 0 0 305.374 2.985 50 0 DFAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(C)=O)c1 ZINC000005840222 181288752 /nfs/dbraw/zinc/28/87/52/181288752.db2.gz 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CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Nc1ccc(OC)nc1 ZINC000095395891 185352723 /nfs/dbraw/zinc/35/27/23/185352723.db2.gz BFDNJKNDFGFDOL-VXGBXAGGSA-N 0 0 317.393 2.697 50 0 DFAARN CCSCCOC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000095395843 185352817 /nfs/dbraw/zinc/35/28/17/185352817.db2.gz TXNKVXVLJJOEJY-HOCLYGCPSA-N 0 0 321.442 2.892 50 0 DFAARN COc1c(C(=O)N(C)c2ccc(SC)cc2)c(C)nn1C ZINC000095396161 185352944 /nfs/dbraw/zinc/35/29/44/185352944.db2.gz PUTLLRGJYDYENA-UHFFFAOYSA-N 0 0 305.403 2.736 50 0 DFAARN Cn1cc(CCOC(=O)c2csc(-c3ccoc3)n2)cn1 ZINC000095397426 185353307 /nfs/dbraw/zinc/35/33/07/185353307.db2.gz XEMFMWDJVLUFKQ-UHFFFAOYSA-N 0 0 303.343 2.536 50 0 DFAARN Cc1ccc([C@@H]2COCCN2C(=O)N[C@H](C)COCC(C)C)o1 ZINC000095398078 185353474 /nfs/dbraw/zinc/35/34/74/185353474.db2.gz UWFSQMRFUAWUEI-HIFRSBDPSA-N 0 0 324.421 2.732 50 0 DFAARN COC(=O)CCCCCNC(=O)c1cc2c([nH]1)c(F)ccc2F ZINC000095398136 185353494 /nfs/dbraw/zinc/35/34/94/185353494.db2.gz RBWWXHZOGRXJKX-UHFFFAOYSA-N 0 0 324.327 2.909 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426289840 /nfs/dbraw/zinc/28/98/40/426289840.db2.gz ZWCJRBGLKGUOSB-UHFFFAOYSA-N 0 0 305.309 2.787 50 0 DFAARN COCc1cccc(CNC(=O)COc2cc(F)cc(F)c2)c1 ZINC000089420353 426290275 /nfs/dbraw/zinc/29/02/75/426290275.db2.gz DCANWYOWENQDSW-UHFFFAOYSA-N 0 0 321.323 2.806 50 0 DFAARN Cc1c2nnc(C(F)(F)F)n2nc(NCc2ccco2)c1C ZINC000089534569 426295707 /nfs/dbraw/zinc/29/57/07/426295707.db2.gz KOHVYFFQQSRTCS-UHFFFAOYSA-N 0 0 311.267 2.965 50 0 DFAARN Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000089526327 426296095 /nfs/dbraw/zinc/29/60/95/426296095.db2.gz QKNSCTDNLVEVDN-RISCZKNCSA-N 0 0 309.410 2.809 50 0 DFAARN Cc1c(CNC(=O)c2ccc(Oc3ccccc3)nc2)cnn1C ZINC000089544759 426296719 /nfs/dbraw/zinc/29/67/19/426296719.db2.gz LLQIPDXWZKSBSU-UHFFFAOYSA-N 0 0 322.368 2.846 50 0 DFAARN Cc1oc(-c2cccs2)nc1C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000089548215 426296758 /nfs/dbraw/zinc/29/67/58/426296758.db2.gz QKSZKMLFPNYCCH-NEPJUHHUSA-N 0 0 320.414 2.945 50 0 DFAARN Cc1cc([C@@H](C)NC(=O)N(C)C[C@@H](O)C2CC2)cc(C)c1F 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COC(=O)C(C)(C)N(C)C(=O)c1cccc2ccc(C)nc21 ZINC000089665934 426301330 /nfs/dbraw/zinc/30/13/30/426301330.db2.gz RIXUGYQMMVOXBQ-UHFFFAOYSA-N 0 0 300.358 2.567 50 0 DFAARN c1ccc(CN2CCC[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000089647519 426301369 /nfs/dbraw/zinc/30/13/69/426301369.db2.gz WCUNQKLIMLRCCL-HNNXBMFYSA-N 0 0 307.357 2.864 50 0 DFAARN Cc1ccc(C(=O)N2CCC(NC(=O)C3CC=CC3)CC2)cc1 ZINC000151555475 426302170 /nfs/dbraw/zinc/30/21/70/426302170.db2.gz XXBCBEZBUSJNKW-UHFFFAOYSA-N 0 0 312.413 2.682 50 0 DFAARN Cc1ccccc1NC(=O)Cn1cnc2c1ncnc2NC(C)C ZINC000089690562 426302481 /nfs/dbraw/zinc/30/24/81/426302481.db2.gz FSGSQHJVQDDIME-UHFFFAOYSA-N 0 0 324.388 2.594 50 0 DFAARN Cc1ccoc1C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000089701971 426303340 /nfs/dbraw/zinc/30/33/40/426303340.db2.gz XFRBKWWMNMPSAM-UHFFFAOYSA-N 0 0 300.236 2.564 50 0 DFAARN COc1ccc(N(C)C(=O)c2ccccc2-c2nnc(C)o2)cn1 ZINC000089736427 426305037 /nfs/dbraw/zinc/30/50/37/426305037.db2.gz FKXUIZGASGFKLN-UHFFFAOYSA-N 0 0 324.340 2.725 50 0 DFAARN Cc1nnc2ccc(NC[C@@H]3C[C@]34CCc3ccccc34)nn12 ZINC000089740964 426305447 /nfs/dbraw/zinc/30/54/47/426305447.db2.gz GYFWOOVIFUAVQO-KBXCAEBGSA-N 0 0 305.385 2.749 50 0 DFAARN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccc(Cl)o2)cn1 ZINC000089755138 426305493 /nfs/dbraw/zinc/30/54/93/426305493.db2.gz ISGBATBUECNFQO-NSHDSACASA-N 0 0 321.764 2.544 50 0 DFAARN Cc1ocnc1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089763149 426306581 /nfs/dbraw/zinc/30/65/81/426306581.db2.gz DCPDNTNZWPHFAW-CYBMUJFWSA-N 0 0 306.749 2.930 50 0 DFAARN O=S(=O)(Cc1cccc(F)c1)N1CCSc2ncccc21 ZINC000089775111 426307716 /nfs/dbraw/zinc/30/77/16/426307716.db2.gz MQHQLILVQBSBSX-UHFFFAOYSA-N 0 0 324.402 2.663 50 0 DFAARN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCSCC1 ZINC000089830096 426312025 /nfs/dbraw/zinc/31/20/25/426312025.db2.gz ZXQVLVITMUPUED-LBPRGKRZSA-N 0 0 318.364 2.918 50 0 DFAARN COc1ccccc1[C@H](NC(=O)Cc1ccon1)c1ccccn1 ZINC000089849257 426313578 /nfs/dbraw/zinc/31/35/78/426313578.db2.gz UTHKRRPCPNUFFL-SFHVURJKSA-N 0 0 323.352 2.527 50 0 DFAARN O=C(Nc1ccccn1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000089883867 426315553 /nfs/dbraw/zinc/31/55/53/426315553.db2.gz HNVPQQJEJXATAT-NSHDSACASA-N 0 0 317.780 2.530 50 0 DFAARN C[C@@H](CNC(=O)N1CCc2ccccc21)CC1(C)OCCO1 ZINC000089895167 426316175 /nfs/dbraw/zinc/31/61/75/426316175.db2.gz QNWSDKWNQQWEHG-CYBMUJFWSA-N 0 0 304.390 2.548 50 0 DFAARN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)[C@@H]1COc2ccccc21 ZINC000089894433 426316315 /nfs/dbraw/zinc/31/63/15/426316315.db2.gz GEFFEBOUVJHRAY-RISCZKNCSA-N 0 0 307.353 2.857 50 0 DFAARN C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(Cn3cccc3)cc2)C1 ZINC000089894255 426316581 /nfs/dbraw/zinc/31/65/81/426316581.db2.gz COXHOXSKZAYODS-CRAIPNDOSA-N 0 0 312.413 2.769 50 0 DFAARN CC(C)c1cc(NC[C@@H]2CCS(=O)(=O)C2)nc(C(C)C)n1 ZINC000089893317 426316700 /nfs/dbraw/zinc/31/67/00/426316700.db2.gz LSHFOTNEFCNXIQ-LBPRGKRZSA-N 0 0 311.451 2.570 50 0 DFAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1cn[nH]n1 ZINC000089904765 426316968 /nfs/dbraw/zinc/31/69/68/426316968.db2.gz 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/nfs/dbraw/zinc/51/67/94/426516794.db2.gz DKIYYRISYXXXBP-CQSZACIVSA-N 0 0 320.396 2.991 50 0 DFAARN O=C(Cc1cccc2ccccc21)NCCn1ccn2nccc12 ZINC000206743857 426545870 /nfs/dbraw/zinc/54/58/70/426545870.db2.gz ZWMQZYWNWDXLEL-UHFFFAOYSA-N 0 0 318.380 2.648 50 0 DFAARN Cc1ccc(C(=O)N2CC[C@@H](Oc3cc(C)oc(=O)c3)C2)s1 ZINC000206966886 426546098 /nfs/dbraw/zinc/54/60/98/426546098.db2.gz FOXGXYPLKFYQIV-GFCCVEGCSA-N 0 0 319.382 2.612 50 0 DFAARN Cc1cc2ncc3c(n2n1)CCN(C(=O)/C=C/c1cccs1)C3 ZINC000208034529 426547220 /nfs/dbraw/zinc/54/72/20/426547220.db2.gz CQQJEBSMHJXXCQ-SNAWJCMRSA-N 0 0 324.409 2.697 50 0 DFAARN CSc1ccccc1-c1nccc(N2CCC[C@@H](O)C2)n1 ZINC000215274647 426549037 /nfs/dbraw/zinc/54/90/37/426549037.db2.gz LFAPXLLNRUQZFW-GFCCVEGCSA-N 0 0 301.415 2.827 50 0 DFAARN CC[C@H](C)Sc1ncc(CN(C)Cc2nnc(C)o2)cn1 ZINC000215119265 426549645 /nfs/dbraw/zinc/54/96/45/426549645.db2.gz QASPXUHWCYLJOR-JTQLQIEISA-N 0 0 307.423 2.691 50 0 DFAARN CCCc1cc(CN(C)Cc2ccc(NC(C)=O)cc2)[nH]n1 ZINC000215043826 426550437 /nfs/dbraw/zinc/55/04/37/426550437.db2.gz MEWDBKIPXPOKFX-UHFFFAOYSA-N 0 0 300.406 2.953 50 0 DFAARN COc1cccc(-c2ccc(C(=O)N[C@@H]3CCCC[C@H]3O)o2)c1 ZINC000215001440 426550564 /nfs/dbraw/zinc/55/05/64/426550564.db2.gz LDGLYNCURUHFPP-HUUCEWRRSA-N 0 0 315.369 2.989 50 0 DFAARN Cc1nccn1CCN(C)Cc1cnc(-c2cccs2)nc1 ZINC000215421856 426552113 /nfs/dbraw/zinc/55/21/13/426552113.db2.gz ANLXNVVKDWRBJG-UHFFFAOYSA-N 0 0 313.430 2.842 50 0 DFAARN COC(=O)CN(C(=O)c1ccccc1OC)c1cccc(F)c1 ZINC000177643893 426501041 /nfs/dbraw/zinc/50/10/41/426501041.db2.gz FLUXWYUIEHSEAJ-UHFFFAOYSA-N 0 0 317.316 2.654 50 0 DFAARN CC[C@@H](NC(=O)c1cc2cc(OC)ccc2[nH]1)c1ccnn1C ZINC000218956241 426569725 /nfs/dbraw/zinc/56/97/25/426569725.db2.gz PAVJTEFIOCHARI-CYBMUJFWSA-N 0 0 312.373 2.791 50 0 DFAARN O=C(CC1=CCCC1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000219004781 426570167 /nfs/dbraw/zinc/57/01/67/426570167.db2.gz VJFISNXRDGZZAM-MSOLQXFVSA-N 0 0 315.413 2.977 50 0 DFAARN Cc1c[nH]c([C@H](C)NC(=O)CCCOCc2ccccc2)n1 ZINC000218917765 426570172 /nfs/dbraw/zinc/57/01/72/426570172.db2.gz YPXRATOVLNEYKE-AWEZNQCLSA-N 0 0 301.390 2.892 50 0 DFAARN CCNc1nc(C)c(C(=O)N(C)CCC[C@@H]2CCCO2)s1 ZINC000218966573 426570999 /nfs/dbraw/zinc/57/09/99/426570999.db2.gz ANYJSDMTOZKWSI-GFCCVEGCSA-N 0 0 311.451 2.915 50 0 DFAARN COc1c(Cl)cc(Cl)cc1C(=O)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000219431833 426571476 /nfs/dbraw/zinc/57/14/76/426571476.db2.gz GZBJJWYHRKESBS-ZHAHWJHGSA-N 0 0 316.184 2.909 50 0 DFAARN CCCc1cc(C(=O)N(C)C[C@H]2CC[N@H+](CCOC)C2)cs1 ZINC000219372956 426571536 /nfs/dbraw/zinc/57/15/36/426571536.db2.gz FNXADBXZLWQZHP-CQSZACIVSA-N 0 0 324.490 2.741 50 0 DFAARN O=C(NCCOCc1ccc(Cl)cc1)[C@H]1CCC[C@@H](O)C1 ZINC000219303763 426572544 /nfs/dbraw/zinc/57/25/44/426572544.db2.gz QXCIXDSIXFTONL-DZGCQCFKSA-N 0 0 311.809 2.524 50 0 DFAARN O=C(c1cc(CO)ccn1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000219474578 426573057 /nfs/dbraw/zinc/57/30/57/426573057.db2.gz VLSORFGKGABYSI-CQSZACIVSA-N 0 0 316.788 2.857 50 0 DFAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1sc(N)nc1C ZINC000219753388 426573734 /nfs/dbraw/zinc/57/37/34/426573734.db2.gz OZXBURRGCWUAII-ZDUSSCGKSA-N 0 0 317.414 2.850 50 0 DFAARN Cc1ccc(OCC(=O)N(C)[C@H](C)Cc2cnccn2)cc1C ZINC000219665616 426574387 /nfs/dbraw/zinc/57/43/87/426574387.db2.gz PUWIIDFBYDWSDR-OAHLLOKOSA-N 0 0 313.401 2.562 50 0 DFAARN CN(Cc1ccccc1-n1cccn1)C(=O)c1cncc(F)c1 ZINC000219621596 426574491 /nfs/dbraw/zinc/57/44/91/426574491.db2.gz ONLJPWIFNPSASX-UHFFFAOYSA-N 0 0 310.332 2.679 50 0 DFAARN O=C(NCCc1cnccn1)c1ccc(Oc2ccccc2)o1 ZINC000219937608 426575046 /nfs/dbraw/zinc/57/50/46/426575046.db2.gz LICRISRCSYIYFN-UHFFFAOYSA-N 0 0 309.325 2.834 50 0 DFAARN O=C(Cc1ccc2c(c1)OCO2)N[C@H]1COC2(C1)CCCCC2 ZINC000220602128 426576060 /nfs/dbraw/zinc/57/60/60/426576060.db2.gz FCQQCCGMTNORJU-CQSZACIVSA-N 0 0 317.385 2.566 50 0 DFAARN CC[C@H](NC(=O)c1ccc2cccc(F)c2n1)[C@H]1C[C@H](O)C1 ZINC000220511279 426576122 /nfs/dbraw/zinc/57/61/22/426576122.db2.gz AQEIGZKZCIYNHO-SCRDCRAPSA-N 0 0 302.349 2.653 50 0 DFAARN Cc1cn2cc(C(=O)N(Cc3nccs3)C3CC3)ccc2n1 ZINC000220478164 426576776 /nfs/dbraw/zinc/57/67/76/426576776.db2.gz IBLOENRLAKAHTJ-UHFFFAOYSA-N 0 0 312.398 2.904 50 0 DFAARN CC1=NO[C@@](C)(C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000220516957 426577250 /nfs/dbraw/zinc/57/72/50/426577250.db2.gz YOHVCUKXOMHKHC-OAHLLOKOSA-N 0 0 303.387 2.810 50 0 DFAARN CC[N@H+](CC(=O)[O-])C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000186687208 426578362 /nfs/dbraw/zinc/57/83/62/426578362.db2.gz XVGJCSXYUBBIHA-UHFFFAOYSA-N 0 0 310.825 2.711 50 0 DFAARN Cn1c(CNC(=O)c2ccno2)nc2cc(C(F)(F)F)ccc21 ZINC000221203007 426578852 /nfs/dbraw/zinc/57/88/52/426578852.db2.gz LCPCUYKVVLAXKM-UHFFFAOYSA-N 0 0 324.262 2.510 50 0 DFAARN COc1ccnc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000221453176 426579242 /nfs/dbraw/zinc/57/92/42/426579242.db2.gz PTQKAWQRYNOALE-UHFFFAOYSA-N 0 0 316.748 2.550 50 0 DFAARN COC(=O)C[C@@H]1CSCCN1[C@@H](C)c1nc2ccccc2o1 ZINC000221741442 426580267 /nfs/dbraw/zinc/58/02/67/426580267.db2.gz INVQZCLFRWYPHO-NWDGAFQWSA-N 0 0 320.414 2.869 50 0 DFAARN C[C@H](CCNC(=O)c1cc(-c2ccsc2)n[nH]1)n1ccnc1 ZINC000222425905 426583350 /nfs/dbraw/zinc/58/33/50/426583350.db2.gz SVZOQRVENGDOBW-LLVKDONJSA-N 0 0 315.402 2.716 50 0 DFAARN C[C@H](Cc1cnccn1)NC(=O)c1csc2c1CCCC2 ZINC000223210332 426585899 /nfs/dbraw/zinc/58/58/99/426585899.db2.gz FUFQFCGPRDOOKJ-LLVKDONJSA-N 0 0 301.415 2.778 50 0 DFAARN CCOc1ncccc1C(=O)NCCCc1scnc1C ZINC000223253320 426587037 /nfs/dbraw/zinc/58/70/37/426587037.db2.gz YAGHOFIQMRGXTJ-UHFFFAOYSA-N 0 0 305.403 2.608 50 0 DFAARN C[C@H](NC(=O)c1[nH]nc2ccccc21)c1nncn1C1CCCC1 ZINC000222982067 426587283 /nfs/dbraw/zinc/58/72/83/426587283.db2.gz HMVZMYVNGORLOB-NSHDSACASA-N 0 0 324.388 2.761 50 0 DFAARN CCC(CC)C(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 ZINC000223350104 426587871 /nfs/dbraw/zinc/58/78/71/426587871.db2.gz JWSBAWSOJZJWBQ-CVEARBPZSA-N 0 0 309.381 2.914 50 0 DFAARN Cc1noc(C)c1C(=O)N1CCCC[C@@H]1CCn1cccn1 ZINC000223742612 426589632 /nfs/dbraw/zinc/58/96/32/426589632.db2.gz BBDVFKAXGYSKGS-CQSZACIVSA-N 0 0 302.378 2.573 50 0 DFAARN CCc1ccc(C(=O)NCc2ccnc(N3CCCC3)n2)cc1 ZINC000224198805 426592194 /nfs/dbraw/zinc/59/21/94/426592194.db2.gz RLXGDNDGKWXCEN-UHFFFAOYSA-N 0 0 310.401 2.569 50 0 DFAARN Cc1noc(C)c1[C@H](C)NC(=O)c1ncccc1Br ZINC000225409353 426598947 /nfs/dbraw/zinc/59/89/47/426598947.db2.gz XAURQKLPGGVRID-ZETCQYMHSA-N 0 0 324.178 2.940 50 0 DFAARN Cc1ccc(O[C@H]2CCN(C(=O)c3c[nH]c4ccccc34)C2)nn1 ZINC000225424355 426599761 /nfs/dbraw/zinc/59/97/61/426599761.db2.gz PMYXWILIORVFIP-ZDUSSCGKSA-N 0 0 322.368 2.560 50 0 DFAARN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](O)[C@H](C)C3)[nH]n2)cc1C ZINC000225443738 426600613 /nfs/dbraw/zinc/60/06/13/426600613.db2.gz GTAWUDCPMVDXQQ-CXAGYDPISA-N 0 0 313.401 2.536 50 0 DFAARN Cc1csc2c1ncnc2N1CCc2nc(N)sc2C1 ZINC000225455370 426601815 /nfs/dbraw/zinc/60/18/15/426601815.db2.gz LUEQTEWDMNNFHG-UHFFFAOYSA-N 0 0 303.416 2.601 50 0 DFAARN CCOc1ccc([C@H](COC)NC(=O)N[C@@H]2CCSC2)cc1 ZINC000225459232 426602000 /nfs/dbraw/zinc/60/20/00/426602000.db2.gz NOQVBXFWAVGNGZ-HIFRSBDPSA-N 0 0 324.446 2.578 50 0 DFAARN Cc1ccc(-n2cccn2)cc1NC(=O)NCCC1(O)CCC1 ZINC000225482598 426603100 /nfs/dbraw/zinc/60/31/00/426603100.db2.gz AJFKCFZFOWJZED-UHFFFAOYSA-N 0 0 314.389 2.607 50 0 DFAARN CCS(=O)(=O)c1ccccc1NCc1cccnc1N(C)C ZINC000225517368 426603171 /nfs/dbraw/zinc/60/31/71/426603171.db2.gz FYMYGYSDAWNDJQ-UHFFFAOYSA-N 0 0 319.430 2.553 50 0 DFAARN CC(C)(CNC(=O)/C(F)=C/C1CCCCC1)N1CCOCC1 ZINC000225500831 426603626 /nfs/dbraw/zinc/60/36/26/426603626.db2.gz ZLFDLQYBOSDYJP-QINSGFPZSA-N 0 0 312.429 2.647 50 0 DFAARN COc1ncccc1N(C)C(=O)Cc1cnc2ccccc2c1 ZINC000225489270 426603990 /nfs/dbraw/zinc/60/39/90/426603990.db2.gz AHDHHRGFUKNTFO-UHFFFAOYSA-N 0 0 307.353 2.844 50 0 DFAARN Cc1ccc2cc(C(=O)NCC3([S@@](C)=O)CCC3)[nH]c2c1 ZINC000225499656 426604232 /nfs/dbraw/zinc/60/42/32/426604232.db2.gz QFXWPNZXMAKJQO-OAQYLSRUSA-N 0 0 304.415 2.507 50 0 DFAARN CSc1cccc(C)c1NC(=O)NCCCc1nnc[nH]1 ZINC000225478888 426604643 /nfs/dbraw/zinc/60/46/43/426604643.db2.gz 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314.410 2.539 50 0 DFAARN CCOc1ccccc1NC(=O)NC[C@@](C)(O)CCSC ZINC000075157688 191434898 /nfs/dbraw/zinc/43/48/98/191434898.db2.gz JRBXCABPPYPQJF-HNNXBMFYSA-N 0 0 312.435 2.711 50 0 DFAARN COCCN1Cc2cccc(C(=O)Nc3ccccc3C)c2C1=O ZINC000004992273 181186578 /nfs/dbraw/zinc/18/65/78/181186578.db2.gz BBRZDLXEPIWHSY-UHFFFAOYSA-N 0 0 324.380 2.850 50 0 DFAARN CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC ZINC000005008677 181189700 /nfs/dbraw/zinc/18/97/00/181189700.db2.gz SMTTWCDOCCWPLK-OAHLLOKOSA-N 0 0 318.373 2.666 50 0 DFAARN Cc1cccc(-c2noc([C@H](C)NC(=O)c3cccnc3)n2)c1 ZINC000004998338 181187473 /nfs/dbraw/zinc/18/74/73/181187473.db2.gz RJYVKSCLYGHLRO-LBPRGKRZSA-N 0 0 308.341 2.931 50 0 DFAARN Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000075520611 191484433 /nfs/dbraw/zinc/48/44/33/191484433.db2.gz XNXARSCLBGRCLZ-GOSISDBHSA-N 0 0 322.408 2.768 50 0 DFAARN CCc1nc([C@H]2CCCN2Cc2nc(C(C)(C)C)no2)no1 ZINC000075573233 191494119 /nfs/dbraw/zinc/49/41/19/191494119.db2.gz VNIZYLURPYHZAP-SNVBAGLBSA-N 0 0 305.382 2.650 50 0 DFAARN COc1ccc(C2=NO[C@@H](C(=O)Nc3cccc(O)c3)C2)cc1 ZINC000005028939 181193432 /nfs/dbraw/zinc/19/34/32/181193432.db2.gz WLLYWWFVXUBJRT-MRXNPFEDSA-N 0 0 312.325 2.533 50 0 DFAARN CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O ZINC000005007405 181189991 /nfs/dbraw/zinc/18/99/91/181189991.db2.gz MJGVXACJGHGXFH-JXMROGBWSA-N 0 0 309.343 2.658 50 0 DFAARN CCO[C@H]1C[C@H](N(C)C(=O)C2CCOCC2)C12CCCCC2 ZINC000076022589 191556576 /nfs/dbraw/zinc/55/65/76/191556576.db2.gz AQAKPEKGAZWOLL-HOTGVXAUSA-N 0 0 309.450 2.999 50 0 DFAARN COc1ccc(N[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000005016165 181191320 /nfs/dbraw/zinc/19/13/20/181191320.db2.gz UFSVQTRWFGFLQX-QGZVFWFLSA-N 0 0 324.380 2.743 50 0 DFAARN CCOC(=O)c1cnn(-c2cccc(Br)n2)c1C ZINC000075896428 191534445 /nfs/dbraw/zinc/53/44/45/191534445.db2.gz CTNMIFRSQHYFQQ-UHFFFAOYSA-N 0 0 310.151 2.515 50 0 DFAARN CC1CCN(C(=O)c2ccc(NC[C@@H]3CCC[C@@H]3O)nc2)CC1 ZINC000076061402 191565329 /nfs/dbraw/zinc/56/53/29/191565329.db2.gz GUVQPYIAWAYGGT-HOCLYGCPSA-N 0 0 317.433 2.527 50 0 DFAARN CO[C@@H](CNC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000076066232 191567224 /nfs/dbraw/zinc/56/72/24/191567224.db2.gz XPVZYFCCEHQBKP-KGLIPLIRSA-N 0 0 312.797 2.506 50 0 DFAARN O=C(Nc1ccc(-c2ccccc2)cc1)N(CCO)CCCO ZINC000076089402 191575614 /nfs/dbraw/zinc/57/56/14/191575614.db2.gz NTONIPSJVFHVQJ-UHFFFAOYSA-N 0 0 314.385 2.562 50 0 DFAARN Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCOc3ccccc32)no1 ZINC000076043369 191559780 /nfs/dbraw/zinc/55/97/80/191559780.db2.gz XZJSQWJSOIWJCH-ZIAGYGMSSA-N 0 0 313.357 2.608 50 0 DFAARN COc1cc(C=O)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000005064245 181200029 /nfs/dbraw/zinc/20/00/29/181200029.db2.gz UCPCDIOINZGODM-TZMCWYRMSA-N 0 0 305.374 2.581 50 0 DFAARN C[C@H]1CCc2c(C(=O)NCCCN3CCCC3=O)csc2C1 ZINC000005070196 181200621 /nfs/dbraw/zinc/20/06/21/181200621.db2.gz OGPICHIEZKOLBG-LBPRGKRZSA-N 0 0 320.458 2.615 50 0 DFAARN Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)O2 ZINC000005069832 181200689 /nfs/dbraw/zinc/20/06/89/181200689.db2.gz PQFYAEUUKARUPR-ZENOOKHLSA-N 0 0 316.401 2.780 50 0 aggregator DFAARN O=C(C[C@H]1Oc2ccccc2NC1=O)NCCC1=CCCCC1 ZINC000005069475 181200711 /nfs/dbraw/zinc/20/07/11/181200711.db2.gz VOGRWINLVPUCEV-MRXNPFEDSA-N 0 0 314.385 2.783 50 0 DFAARN CS[C@@H](C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000077648275 191747714 /nfs/dbraw/zinc/74/77/14/191747714.db2.gz QQPQDQIGKFOMIC-OIBJUYFYSA-N 0 0 308.230 2.895 50 0 DFAARN COCC1(C(=O)N(C)Cc2cccc(-n3cccn3)c2)CCC1 ZINC000077407431 191709029 /nfs/dbraw/zinc/70/90/29/191709029.db2.gz WNBJBRGSQHVMCR-UHFFFAOYSA-N 0 0 313.401 2.647 50 0 DFAARN COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000005115025 181205093 /nfs/dbraw/zinc/20/50/93/181205093.db2.gz IDJLEPWAHMWKGU-WOSRLPQWSA-N 0 0 319.401 2.793 50 0 DFAARN O=S(=O)(NCc1cccnc1)c1ccccc1C(F)(F)F ZINC000005120556 181205889 /nfs/dbraw/zinc/20/58/89/181205889.db2.gz RNAQVYXCWXLWDB-UHFFFAOYSA-N 0 0 316.304 2.579 50 0 DFAARN Cc1ccc2cc(CN(C)C(=O)c3cccnc3)c(=O)[nH]c2c1 ZINC000005149597 181209930 /nfs/dbraw/zinc/20/99/30/181209930.db2.gz YBOFYXXWXITAET-UHFFFAOYSA-N 0 0 307.353 2.504 50 0 DFAARN O=C(NCCCOC1CCOCC1)N1CCC2(C1)CCCCC2 ZINC000074542695 398752960 /nfs/dbraw/zinc/75/29/60/398752960.db2.gz ZKKVAKWDUAGHSX-UHFFFAOYSA-N 0 0 324.465 2.938 50 0 DFAARN Cc1cc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)no1 ZINC000005126906 181207514 /nfs/dbraw/zinc/20/75/14/181207514.db2.gz IHHNHMYKRBDMBK-UHFFFAOYSA-N 0 0 318.373 2.681 50 0 DFAARN Cc1cnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)s1 ZINC000078032314 191809181 /nfs/dbraw/zinc/80/91/81/191809181.db2.gz ZUZHDNUOESIWTK-SKDRFNHKSA-N 0 0 321.427 2.671 50 0 DFAARN O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccc(F)c1 ZINC000005138500 181208454 /nfs/dbraw/zinc/20/84/54/181208454.db2.gz NSXOFAHFTBLAJT-UHFFFAOYSA-N 0 0 320.327 2.770 50 0 DFAARN Clc1cncc(NCCc2csc(N3CCCC3)n2)n1 ZINC000078340491 191849320 /nfs/dbraw/zinc/84/93/20/191849320.db2.gz RGIVTKGFMVLGJE-UHFFFAOYSA-N 0 0 309.826 2.841 50 0 DFAARN CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000005171883 181213302 /nfs/dbraw/zinc/21/33/02/181213302.db2.gz QFRKLOYITAUQRC-HNNXBMFYSA-N 0 0 316.788 2.947 50 0 DFAARN Cc1cc(C)c(CC(=O)N[C@H](CCO)c2ccco2)c(C)c1 ZINC000183825845 199647633 /nfs/dbraw/zinc/64/76/33/199647633.db2.gz HKYWKTMPUYHDOX-MRXNPFEDSA-N 0 0 301.386 2.987 50 0 DFAARN NC(=O)c1ccccc1OCc1cn2cc(Cl)ccc2n1 ZINC000005186888 181214902 /nfs/dbraw/zinc/21/49/02/181214902.db2.gz CKSZCMAEVCUXGL-UHFFFAOYSA-N 0 0 301.733 2.666 50 0 DFAARN CC(C)(C)C(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000005198104 181215567 /nfs/dbraw/zinc/21/55/67/181215567.db2.gz JNOVBOHSWIHFKC-CQSZACIVSA-N 0 0 304.390 2.580 50 0 DFAARN O=C(Nc1ccccc1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000005194833 181215947 /nfs/dbraw/zinc/21/59/47/181215947.db2.gz NSALFKPMSBACKI-AWEZNQCLSA-N 0 0 313.332 2.753 50 0 DFAARN COc1cccc2cc(C(N)=O)/c(=N/Cc3ccccc3)oc21 ZINC000005234977 181219501 /nfs/dbraw/zinc/21/95/01/181219501.db2.gz OKVWRLONGBYCRL-ZZEZOPTASA-N 0 0 308.337 2.641 50 0 DFAARN COc1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000005199682 181216263 /nfs/dbraw/zinc/21/62/63/181216263.db2.gz KTSOYRUSGSZTIE-UHFFFAOYSA-N 0 0 314.360 2.797 50 0 DFAARN C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2nnco2)cc1 ZINC000005208632 181216778 /nfs/dbraw/zinc/21/67/78/181216778.db2.gz DNMNQEOAGSVPLT-SWLSCSKDSA-N 0 0 315.373 2.810 50 0 DFAARN C[C@@H](NC(=O)CSc1nnc2ccccn21)c1cccs1 ZINC000005212887 181217697 /nfs/dbraw/zinc/21/76/97/181217697.db2.gz IDYIQEDXPVCCGZ-SNVBAGLBSA-N 0 0 318.427 2.760 50 0 DFAARN Cn1cc(C(=O)OCC(=O)N2CCCCCC2)c2ccccc21 ZINC000005261252 181223675 /nfs/dbraw/zinc/22/36/75/181223675.db2.gz SKJLZLWCSPTYOB-UHFFFAOYSA-N 0 0 314.385 2.738 50 0 DFAARN C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000005405804 181240378 /nfs/dbraw/zinc/24/03/78/181240378.db2.gz PVSVDSKLCYNNOH-XJKSGUPXSA-N 0 0 316.401 2.815 50 0 DFAARN Cc1cc(OC(=O)C[C@@H]2C=CS(=O)(=O)C2)ccc1Cl ZINC000005277051 181225924 /nfs/dbraw/zinc/22/59/24/181225924.db2.gz IOAPMEKNHXZYAP-JTQLQIEISA-N 0 0 300.763 2.502 50 0 DFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000005323978 181229790 /nfs/dbraw/zinc/22/97/90/181229790.db2.gz RZLCKBVOEOKWMA-NSHDSACASA-N 0 0 318.348 2.722 50 0 DFAARN Cn1ccc(NC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000005335981 181230838 /nfs/dbraw/zinc/23/08/38/181230838.db2.gz JPLOJUMYYDVFFY-UHFFFAOYSA-N 0 0 300.145 2.744 50 0 DFAARN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccs1 ZINC000005339176 181231448 /nfs/dbraw/zinc/23/14/48/181231448.db2.gz GMRCKCFKGVUOPC-UHFFFAOYSA-N 0 0 322.411 2.540 50 0 DFAARN COc1ccc(Nc2cc(-n3ncc(C(C)=O)c3C)ncn2)cc1 ZINC000005347803 181233068 /nfs/dbraw/zinc/23/30/68/181233068.db2.gz ZXYYBOJHTXAQSX-UHFFFAOYSA-N 0 0 323.356 2.926 50 0 DFAARN COc1ccc(-c2nonc2NC(=O)CC(C)C)cc1OC ZINC000005353815 181233862 /nfs/dbraw/zinc/23/38/62/181233862.db2.gz BCTMTPHINBZYEY-UHFFFAOYSA-N 0 0 305.334 2.738 50 0 DFAARN COC(=O)c1ccccc1Oc1nc2ccccc2n2cnnc12 ZINC000005426832 181242163 /nfs/dbraw/zinc/24/21/63/181242163.db2.gz KQVYJBPPTCDDOM-UHFFFAOYSA-N 0 0 320.308 2.856 50 0 DFAARN CC[C@@H](C(=O)NCCc1nnc2ccccn21)c1ccccc1 ZINC000005451304 181244871 /nfs/dbraw/zinc/24/48/71/181244871.db2.gz NPPRMUSMOKIWQZ-OAHLLOKOSA-N 0 0 308.385 2.582 50 0 DFAARN CCc1cccc(CC)c1NC(=O)C(=O)NCc1ccco1 ZINC000005471658 181247623 /nfs/dbraw/zinc/24/76/23/181247623.db2.gz FPGSCNOVHUJTIP-UHFFFAOYSA-N 0 0 300.358 2.659 50 0 DFAARN COC(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000005556253 181256775 /nfs/dbraw/zinc/25/67/75/181256775.db2.gz YIRPVEILUUVDNH-UHFFFAOYSA-N 0 0 312.325 2.684 50 0 DFAARN C[C@H]1C[C@@H](Sc2nnc3ccc(C(F)(F)F)cn32)C(=O)O1 ZINC000040040295 291089993 /nfs/dbraw/zinc/08/99/93/291089993.db2.gz TWDHXTNYHSNHES-POYBYMJQSA-N 0 0 317.292 2.544 50 0 DFAARN COc1cccc(F)c1[C@H](C)NC(=O)NC[C@@H](O)c1ccco1 ZINC000074740243 398763755 /nfs/dbraw/zinc/76/37/55/398763755.db2.gz KNJMEYNOPGEDDH-CMPLNLGQSA-N 0 0 322.336 2.521 50 0 DFAARN Cc1ccc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000005621878 181264621 /nfs/dbraw/zinc/26/46/21/181264621.db2.gz MATPWZFTQQNKQN-UHFFFAOYSA-N 0 0 318.394 2.897 50 0 DFAARN C[C@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005622357 181264660 /nfs/dbraw/zinc/26/46/60/181264660.db2.gz MCLFGEHXMKWTDM-NSHDSACASA-N 0 0 316.382 2.972 50 0 DFAARN CN(C)S(=O)(=O)c1ccc(SCc2ccccc2)nc1 ZINC000005635131 181266531 /nfs/dbraw/zinc/26/65/31/181266531.db2.gz LDIYTVOOPJFHFJ-UHFFFAOYSA-N 0 0 308.428 2.624 50 0 DFAARN COc1ccc(CC(=O)OCc2c(C)noc2C)cc1OC ZINC000005666015 181269648 /nfs/dbraw/zinc/26/96/48/181269648.db2.gz GTCMTXCUJSMDGV-UHFFFAOYSA-N 0 0 305.330 2.595 50 0 DFAARN O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCc2ccccc21 ZINC000005672550 181270183 /nfs/dbraw/zinc/27/01/83/181270183.db2.gz MCBNYIWDMCYEJO-UHFFFAOYSA-N 0 0 319.364 2.759 50 0 DFAARN COc1ccc(NC(=O)COC(=O)c2cc(C)ccc2O)cc1 ZINC000005679858 181271484 /nfs/dbraw/zinc/27/14/84/181271484.db2.gz FBMJOJPVGABVKB-UHFFFAOYSA-N 0 0 315.325 2.505 50 0 DFAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1ccsc1 ZINC000005657804 181268426 /nfs/dbraw/zinc/26/84/26/181268426.db2.gz QXHWKQQJCXOAKQ-LLVKDONJSA-N 0 0 319.382 2.870 50 0 DFAARN Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000005709472 181275178 /nfs/dbraw/zinc/27/51/78/181275178.db2.gz BPCWAHCONLVSOW-UHFFFAOYSA-N 0 0 304.733 2.718 50 0 DFAARN O=C(C[C@@H]1CCS(=O)(=O)C1)Oc1ccc(Cl)cc1Cl ZINC000005713598 181275552 /nfs/dbraw/zinc/27/55/52/181275552.db2.gz WJFVNQZBAXPTIT-QMMMGPOBSA-N 0 0 323.197 2.724 50 0 DFAARN C[C@@H](NC(=O)CSc1nc[nH]n1)C12CC3CC(CC(C3)C1)C2 ZINC000005736885 181278741 /nfs/dbraw/zinc/27/87/41/181278741.db2.gz UHWYNDDYZQCYSR-GYPVXTSCSA-N 0 0 320.462 2.618 50 0 DFAARN Cc1ccc(-c2ccc(OCC(=O)Nc3nc[nH]n3)cc2)cc1 ZINC000005730557 181277747 /nfs/dbraw/zinc/27/77/47/181277747.db2.gz LLQHVGHDSZJXSE-UHFFFAOYSA-N 0 0 308.341 2.798 50 0 DFAARN O=S(=O)(NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000005768512 181282061 /nfs/dbraw/zinc/28/20/61/181282061.db2.gz AFXHLFLQECWKRV-UHFFFAOYSA-N 0 0 301.289 2.582 50 0 DFAARN Cc1n[nH]c(C)c1S(=O)(=O)N1c2ccccc2SC[C@H]1C ZINC000074879163 398773552 /nfs/dbraw/zinc/77/35/52/398773552.db2.gz NJGXBXCOOCMDPU-SECBINFHSA-N 0 0 323.443 2.716 50 0 DFAARN OCc1nc2ccccc2n1C[C@H](O)c1ccccc1Cl ZINC000051092826 425882776 /nfs/dbraw/zinc/88/27/76/425882776.db2.gz OHIQPYKRXFOJJH-HNNXBMFYSA-N 0 0 302.761 2.916 50 0 DFAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)c(=O)[nH]1 ZINC000075120130 398787415 /nfs/dbraw/zinc/78/74/15/398787415.db2.gz CEHLMJMLRIJJAQ-ZDUSSCGKSA-N 0 0 314.385 2.962 50 0 DFAARN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1cccc(Cl)c1 ZINC000075107244 398785858 /nfs/dbraw/zinc/78/58/58/398785858.db2.gz UXGMFVVZJWXGNT-AWEZNQCLSA-N 0 0 318.808 2.824 50 0 DFAARN NC(=O)c1ccccc1NCc1nnc(-c2cccc(F)c2)o1 ZINC000075110271 398786331 /nfs/dbraw/zinc/78/63/31/398786331.db2.gz DYRHVHIZPZQHSF-UHFFFAOYSA-N 0 0 312.304 2.587 50 0 DFAARN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC(C1CC1)C1CC1 ZINC000075123292 398788179 /nfs/dbraw/zinc/78/81/79/398788179.db2.gz IDXHIUYTTNLKTC-UHFFFAOYSA-N 0 0 315.295 2.704 50 0 DFAARN Cc1c(C(=O)NCc2ccco2)nnn1-c1cccc(Cl)c1 ZINC000051317663 425882808 /nfs/dbraw/zinc/88/28/08/425882808.db2.gz SFWIXNOSEKIHRZ-UHFFFAOYSA-N 0 0 316.748 2.752 50 0 DFAARN CCCN(CCC)C(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2 ZINC000000202695 283206197 /nfs/dbraw/zinc/20/61/97/283206197.db2.gz PCSKXAUYICVDHF-DYVFJYSZSA-N 0 0 311.422 2.526 50 0 DFAARN CC[C@H](NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)[C@H](O)C(C)C ZINC000416255188 295935208 /nfs/dbraw/zinc/93/52/08/295935208.db2.gz WQYFSYVULQPNKM-ZJPYXAASSA-N 0 0 319.445 2.718 50 0 DFAARN CC(C)=Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCOCC1 ZINC000075283058 398795006 /nfs/dbraw/zinc/79/50/06/398795006.db2.gz GKBHKIBMVZWSBS-UHFFFAOYSA-N 0 0 312.369 2.633 50 0 DFAARN O=C1C[C@@](O)(c2ccc(Cl)cc2)N(c2ccccc2)C1=O ZINC000075278314 398795065 /nfs/dbraw/zinc/79/50/65/398795065.db2.gz NLMWXBKDKBHNHW-MRXNPFEDSA-N 0 0 301.729 2.974 50 0 DFAARN CC[C@@]1(C)CN(Cc2nc(Cc3ccccc3)no2)CCO1 ZINC000135620900 283226327 /nfs/dbraw/zinc/22/63/27/283226327.db2.gz HDSNMDINXGHPDQ-KRWDZBQOSA-N 0 0 301.390 2.661 50 0 DFAARN 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184318302 /nfs/dbraw/zinc/31/83/02/184318302.db2.gz RABARDQRAXEGLS-FQEVSTJZSA-N 0 0 320.392 2.755 50 0 DFAARN CCn1c2ncccc2nc1[C@H]1CCN(C(=O)CC(C)C)C1 ZINC000065284798 184321188 /nfs/dbraw/zinc/32/11/88/184321188.db2.gz ZWVVAFSNILTCPI-ZDUSSCGKSA-N 0 0 300.406 2.813 50 0 DFAARN Cc1nnc([C@@H]2CCCN(C(=O)c3nccc4ccccc43)C2)[nH]1 ZINC000065287064 184321832 /nfs/dbraw/zinc/32/18/32/184321832.db2.gz OARPNXYWLNGVQJ-CQSZACIVSA-N 0 0 321.384 2.681 50 0 DFAARN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000065288044 184322626 /nfs/dbraw/zinc/32/26/26/184322626.db2.gz ATEVAWWGRJYCJH-CQSZACIVSA-N 0 0 318.446 2.869 50 0 DFAARN Cc1ccc(C(=O)N2CCn3c(nnc3C(C)C)C2)cc1F ZINC000065289101 184323148 /nfs/dbraw/zinc/32/31/48/184323148.db2.gz HGZLAFOIZVLLBM-UHFFFAOYSA-N 0 0 302.353 2.505 50 0 DFAARN Cn1nc(C(=O)Nc2cc(F)ccc2F)cc1C(F)(F)F ZINC000065363562 184328788 /nfs/dbraw/zinc/32/87/88/184328788.db2.gz RTUHFGCEJFFKAS-UHFFFAOYSA-N 0 0 305.206 2.969 50 0 DFAARN CCSc1nc2nccc(-c3ccc(OC)c(OC)c3)n2n1 ZINC000065363355 184329001 /nfs/dbraw/zinc/32/90/01/184329001.db2.gz XORBYVLJNZKGLU-UHFFFAOYSA-N 0 0 316.386 2.921 50 0 DFAARN COc1ccc(NC(=O)[C@@H](C)n2ncc3ccccc3c2=O)cc1 ZINC000065364565 184329010 /nfs/dbraw/zinc/32/90/10/184329010.db2.gz FPJGQNPEIRCWRV-GFCCVEGCSA-N 0 0 323.352 2.605 50 0 DFAARN CC(C)c1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)n(C)n1 ZINC000065366009 184329455 /nfs/dbraw/zinc/32/94/55/184329455.db2.gz IRSJEUJMJSOGIV-QGZVFWFLSA-N 0 0 315.417 2.739 50 0 DFAARN CCn1ncc2c1NC(=O)C[C@H]2c1ccccc1Cn1cccn1 ZINC000065373161 184330492 /nfs/dbraw/zinc/33/04/92/184330492.db2.gz IZEBRNQWUNVSDA-HNNXBMFYSA-N 0 0 321.384 2.622 50 0 DFAARN Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)c1nccs1 ZINC000065381806 184331897 /nfs/dbraw/zinc/33/18/97/184331897.db2.gz JYBMDMAWGYBKSO-LBPRGKRZSA-N 0 0 306.435 2.646 50 0 DFAARN Cc1nc(CCCn2cncn2)n(-c2cccc(Cl)c2F)n1 ZINC000065409374 184339936 /nfs/dbraw/zinc/33/99/36/184339936.db2.gz HICJKMCLQLWBFM-UHFFFAOYSA-N 0 0 320.759 2.593 50 0 DFAARN C[C@@H]1CCc2c(C(=O)NCCCn3ccnc3)csc2C1 ZINC000065415408 184340888 /nfs/dbraw/zinc/34/08/88/184340888.db2.gz OFJXDQYEZJVKEP-GFCCVEGCSA-N 0 0 303.431 2.890 50 0 DFAARN CCCOc1ccc(-n2ccc(-c3cnccn3)n2)cc1CO ZINC000065417125 184341030 /nfs/dbraw/zinc/34/10/30/184341030.db2.gz BWDWOQMPMGBLAV-UHFFFAOYSA-N 0 0 310.357 2.610 50 0 DFAARN CC(C)c1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)no1 ZINC000065429926 184343336 /nfs/dbraw/zinc/34/33/36/184343336.db2.gz IMQHSILEJMYESA-ZDUSSCGKSA-N 0 0 300.358 2.874 50 0 DFAARN CCCc1nc(C(=O)N2CCCC[C@@H]2C(=O)OCC)cs1 ZINC000065431208 184343923 /nfs/dbraw/zinc/34/39/23/184343923.db2.gz COMHJSVPQBIDAY-GFCCVEGCSA-N 0 0 310.419 2.653 50 0 DFAARN C[C@H](c1c(F)cccc1F)N(C)c1ncnc2c1cnn2C ZINC000065436848 184345050 /nfs/dbraw/zinc/34/50/50/184345050.db2.gz SYPOIRKLGGGTAO-SECBINFHSA-N 0 0 303.316 2.839 50 0 DFAARN CCCc1nc(C(C)(C)NC(=O)c2sc(C)nc2C)no1 ZINC000065437227 184345311 /nfs/dbraw/zinc/34/53/11/184345311.db2.gz GRTMSJXPKHJHJU-UHFFFAOYSA-N 0 0 308.407 2.761 50 0 DFAARN 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C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)c1ccc(Cl)cc1 ZINC000014166148 425767117 /nfs/dbraw/zinc/76/71/17/425767117.db2.gz VTFROHRJUPPPSG-MRVPVSSYSA-N 0 0 323.805 2.923 50 0 DFAARN COC(=O)c1cc(/C=C2\N=C(c3ccccc3)OC2=O)oc1C ZINC000014140607 425767209 /nfs/dbraw/zinc/76/72/09/425767209.db2.gz SPKDOCNHGRBKMM-ZROIWOOFSA-N 0 0 311.293 2.719 50 0 DFAARN Cc1nn(C)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 ZINC000014140643 425767668 /nfs/dbraw/zinc/76/76/68/425767668.db2.gz NJZZNMPTZJADLO-UHFFFAOYSA-N 0 0 315.354 2.924 50 0 DFAARN Cc1ccc(NC(=O)c2ccccc2SCC(N)=O)cc1 ZINC000014137818 425768175 /nfs/dbraw/zinc/76/81/75/425768175.db2.gz GHFRFOFVEHOTRX-UHFFFAOYSA-N 0 0 300.383 2.825 50 0 DFAARN CCN(CC(=O)NC(C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000014245282 425768927 /nfs/dbraw/zinc/76/89/27/425768927.db2.gz OFVLCMBRQIGBCE-UHFFFAOYSA-N 0 0 312.413 2.755 50 0 DFAARN CCn1cc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 ZINC000014249496 425769750 /nfs/dbraw/zinc/76/97/50/425769750.db2.gz FHNFXYCHDNQXHQ-UHFFFAOYSA-N 0 0 321.446 2.679 50 0 DFAARN Cc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)o1 ZINC000014230099 425769901 /nfs/dbraw/zinc/76/99/01/425769901.db2.gz XUQXUJJHGFUOTO-LLVKDONJSA-N 0 0 321.398 2.791 50 0 DFAARN O=c1[nH]ncc(NCc2ccccc2OC(F)F)c1Cl ZINC000014330708 425770715 /nfs/dbraw/zinc/77/07/15/425770715.db2.gz PKHVXMHLGGTLRF-UHFFFAOYSA-N 0 0 301.680 2.637 50 0 DFAARN CSCC[C@H](NC(=O)CSC)c1nc2ccccc2[nH]1 ZINC000014275292 425771140 /nfs/dbraw/zinc/77/11/40/425771140.db2.gz BJYPMIXSAQUUQS-LBPRGKRZSA-N 0 0 309.460 2.836 50 0 DFAARN Cc1cccc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000014398815 425773422 /nfs/dbraw/zinc/77/34/22/425773422.db2.gz DZJHUVREIAMDME-ZDUSSCGKSA-N 0 0 310.353 2.748 50 0 DFAARN CS(=O)(=O)c1ccc(C(=O)Oc2cccc(Cl)c2)cc1 ZINC000014470334 425773451 /nfs/dbraw/zinc/77/34/51/425773451.db2.gz VLOWDYOBTPDRMA-UHFFFAOYSA-N 0 0 310.758 2.963 50 0 DFAARN O=C1OCC[C@H]1N1CCC(c2nc3ccccc3s2)CC1 ZINC000014914178 425775805 /nfs/dbraw/zinc/77/58/05/425775805.db2.gz XRTALQDEKOXCOW-CYBMUJFWSA-N 0 0 302.399 2.791 50 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50 0 DFAARN O=C(Nc1ccc(Cl)cn1)c1c(O)nc2ccccc2c1O ZINC000017029255 425786713 /nfs/dbraw/zinc/78/67/13/425786713.db2.gz HKOBSFLJUJRYHR-UHFFFAOYSA-N 0 0 315.716 2.534 50 0 DFAARN CCCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)CC)CCC2 ZINC000017287111 425787775 /nfs/dbraw/zinc/78/77/75/425787775.db2.gz DPCXQEYOPUUQNV-UHFFFAOYSA-N 0 0 310.419 2.528 50 0 DFAARN Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc2n1C ZINC000019318892 425788915 /nfs/dbraw/zinc/78/89/15/425788915.db2.gz OJUDIJXBZSAGOX-UHFFFAOYSA-N 0 0 323.440 2.712 50 0 DFAARN Fc1ccc(N2CN(Cc3ccccc3)CNC2=S)cc1 ZINC000019868972 425789336 /nfs/dbraw/zinc/78/93/36/425789336.db2.gz XOYQFENDNJXQTR-UHFFFAOYSA-N 0 0 301.390 2.937 50 0 DFAARN CCCc1noc(CN(C)Cc2nc3cc(F)ccc3[nH]2)n1 ZINC000020541411 425791167 /nfs/dbraw/zinc/79/11/67/425791167.db2.gz LNNSRACOMXMNQH-UHFFFAOYSA-N 0 0 303.341 2.670 50 0 DFAARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC)CC1 ZINC000020567992 425793264 /nfs/dbraw/zinc/79/32/64/425793264.db2.gz SXXJJFDXNVSECU-OAHLLOKOSA-N 0 0 310.825 2.662 50 0 DFAARN Cc1nnc2n1N1C(=CS[C@@H]1c1ccc3c(c1)OCO3)S2 ZINC000020724280 425793606 /nfs/dbraw/zinc/79/36/06/425793606.db2.gz UOXLDEMTWVKXPS-GFCCVEGCSA-N 0 0 318.383 2.603 50 0 DFAARN COCc1cc(C)nc2sc3c(nnn(C(C)(C)C)c3=O)c21 ZINC000021169190 425793946 /nfs/dbraw/zinc/79/39/46/425793946.db2.gz XODHXAGLAYELKG-UHFFFAOYSA-N 0 0 318.402 2.611 50 0 DFAARN COC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000020864512 425793988 /nfs/dbraw/zinc/79/39/88/425793988.db2.gz CGYIVZTWJSPNAH-UHFFFAOYSA-N 0 0 318.716 2.661 50 0 DFAARN C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccncn1 ZINC000020866237 425795296 /nfs/dbraw/zinc/79/52/96/425795296.db2.gz HYKTVKHSSGNEIZ-AWEZNQCLSA-N 0 0 310.401 2.958 50 0 DFAARN O=C(NCc1cccnc1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000022609709 425797097 /nfs/dbraw/zinc/79/70/97/425797097.db2.gz PTBZDRQEUSNNKM-QGZVFWFLSA-N 0 0 312.369 2.569 50 0 DFAARN CC(C)(C)c1noc(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n1 ZINC000023944383 425798824 /nfs/dbraw/zinc/79/88/24/425798824.db2.gz DAIOFACDUNHBEG-FOSCPWQOSA-N 0 0 320.389 2.806 50 0 DFAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000023219058 425798969 /nfs/dbraw/zinc/79/89/69/425798969.db2.gz SYKXDIORCJCIFB-HNNXBMFYSA-N 0 0 302.374 2.953 50 0 DFAARN Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1C ZINC000024574693 425799653 /nfs/dbraw/zinc/79/96/53/425799653.db2.gz LKERYHXBUNBUGO-UHFFFAOYSA-N 0 0 311.385 2.787 50 0 DFAARN COc1ccc(F)cc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000024165320 425800386 /nfs/dbraw/zinc/80/03/86/425800386.db2.gz XBJKJHHXHBBKQJ-UHFFFAOYSA-N 0 0 316.376 2.862 50 0 DFAARN CC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccc(C)cc2)c1 ZINC000024501070 425800539 /nfs/dbraw/zinc/80/05/39/425800539.db2.gz HGRMKTYNEYXGHP-UHFFFAOYSA-N 0 0 300.358 2.677 50 0 DFAARN COc1cccc2cc([C@@H](C)NC(=O)C3=COCCO3)oc21 ZINC000025139944 425800838 /nfs/dbraw/zinc/80/08/38/425800838.db2.gz YUUVUAUCWBLFMU-SNVBAGLBSA-N 0 0 303.314 2.507 50 0 DFAARN COC(=O)CCCCCCNC(=O)c1cc(Cl)ccc1O ZINC000025051080 425800845 /nfs/dbraw/zinc/80/08/45/425800845.db2.gz GCCRXKCMLVUZAI-UHFFFAOYSA-N 0 0 313.781 2.899 50 0 DFAARN COC(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1 ZINC000025077267 425801337 /nfs/dbraw/zinc/80/13/37/425801337.db2.gz BQUKCGVCDKLYLN-UHFFFAOYSA-N 0 0 315.344 2.514 50 0 DFAARN COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccoc2)CC1 ZINC000025058904 425801484 /nfs/dbraw/zinc/80/14/84/425801484.db2.gz VFKUCZSKUAGGCJ-UHFFFAOYSA-N 0 0 313.353 2.627 50 0 DFAARN CNC(=O)c1ccc(CN(Cc2c(C)noc2C)C2CC2)cc1 ZINC000025189834 425802232 /nfs/dbraw/zinc/80/22/32/425802232.db2.gz COFVRUVYJAAELO-UHFFFAOYSA-N 0 0 313.401 2.816 50 0 DFAARN Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000025324565 425804249 /nfs/dbraw/zinc/80/42/49/425804249.db2.gz JDGUYNCJTVGGRF-LLVKDONJSA-N 0 0 319.386 2.535 50 0 DFAARN O=C(c1c(F)cccc1F)N1CCN(Cc2ccccc2)CC1 ZINC000025326129 425804414 /nfs/dbraw/zinc/80/44/14/425804414.db2.gz FAEMDZAMJCLXSR-UHFFFAOYSA-N 0 0 316.351 2.923 50 0 DFAARN COc1cccc(CNC(=O)Cc2ccc(OC)cc2OC)c1 ZINC000025422950 425805140 /nfs/dbraw/zinc/80/51/40/425805140.db2.gz VTRYWCDPVCPIBV-UHFFFAOYSA-N 0 0 315.369 2.571 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2.571 50 0 DFAARN Cc1ccc(CN(C)C(=O)C[C@H](C)NC(=O)c2ccccc2)o1 ZINC000025449670 425806146 /nfs/dbraw/zinc/80/61/46/425806146.db2.gz FFQRBYIGSNLZJC-ZDUSSCGKSA-N 0 0 314.385 2.755 50 0 DFAARN COC[C@H](C)NC(=O)CNc1ccccc1Cc1ccccc1 ZINC000025613840 425806617 /nfs/dbraw/zinc/80/66/17/425806617.db2.gz DLUMHKGNISPHMG-HNNXBMFYSA-N 0 0 312.413 2.840 50 0 DFAARN Cc1noc(C)c1COC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000025642883 425806965 /nfs/dbraw/zinc/80/69/65/425806965.db2.gz ZWTFXINVJUPLKE-UHFFFAOYSA-N 0 0 311.341 2.763 50 0 DFAARN Cc1cc(C)cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000025744591 425807688 /nfs/dbraw/zinc/80/76/88/425807688.db2.gz BDRDMLLUHQNYMI-UHFFFAOYSA-N 0 0 302.418 2.634 50 0 DFAARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O ZINC000025723214 425808205 /nfs/dbraw/zinc/80/82/05/425808205.db2.gz HLQYTKUIIJTNHH-NMTBMHBSSA-N 0 0 306.446 2.930 50 0 endogenous,in-man DFAARN COc1ccc(-c2nnc([C@@H](C)N3CCO[C@@H](C)C3)o2)cc1 ZINC000025756151 425808638 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ZINC000027650231 425818519 /nfs/dbraw/zinc/81/85/19/425818519.db2.gz XMJLMYSWFBFHCV-HNNXBMFYSA-N 0 0 323.396 2.998 50 0 DFAARN CCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000027662117 425818626 /nfs/dbraw/zinc/81/86/26/425818626.db2.gz XQSDLYGIOXXGDR-HNNXBMFYSA-N 0 0 310.825 2.630 50 0 DFAARN Cc1ccc(CN(C)S(=O)(=O)N2CCC[C@@H](C)C2)c(C)c1 ZINC000027977020 425819384 /nfs/dbraw/zinc/81/93/84/425819384.db2.gz PMGJHGBEFNPBAU-CQSZACIVSA-N 0 0 310.463 2.712 50 0 DFAARN CCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccs1 ZINC000028048229 425819537 /nfs/dbraw/zinc/81/95/37/425819537.db2.gz AIANMUSAVGKJBH-GFCCVEGCSA-N 0 0 304.375 2.582 50 0 DFAARN CCCN(CCC)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000028189710 425820366 /nfs/dbraw/zinc/82/03/66/425820366.db2.gz RIPCPENMTFBEEA-ZDUSSCGKSA-N 0 0 306.381 2.827 50 0 DFAARN C[C@H](C(=O)N1CCCC[C@@H]1C)n1cc(Br)cn1 ZINC000028224205 425820738 /nfs/dbraw/zinc/82/07/38/425820738.db2.gz GXNCZJPTVQVHAM-VHSXEESVSA-N 0 0 300.200 2.608 50 0 DFAARN C[C@@H](C(=O)N1CCCC[C@H]1C)n1cc(Br)cn1 ZINC000028224209 425820765 /nfs/dbraw/zinc/82/07/65/425820765.db2.gz GXNCZJPTVQVHAM-ZJUUUORDSA-N 0 0 300.200 2.608 50 0 DFAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccn(C)c(=O)c1 ZINC000028413946 425821046 /nfs/dbraw/zinc/82/10/46/425821046.db2.gz VAGVCIOCDMCEHD-UHFFFAOYSA-N 0 0 312.413 2.955 50 0 DFAARN O=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccco2)n[nH]1 ZINC000028483888 425821119 /nfs/dbraw/zinc/82/11/19/425821119.db2.gz MMMGUVYMTXDZSG-UHFFFAOYSA-N 0 0 321.340 2.519 50 0 DFAARN CCc1nnc(SCC(=O)N(CC)Cc2cccc(F)c2)[nH]1 ZINC000028473644 425821611 /nfs/dbraw/zinc/82/16/11/425821611.db2.gz HYCMGUSFKHQIDZ-UHFFFAOYSA-N 0 0 322.409 2.647 50 0 DFAARN Cc1ccc(C(N)=O)c(OCc2cn3cc(Cl)ccc3n2)c1 ZINC000028754353 425822119 /nfs/dbraw/zinc/82/21/19/425822119.db2.gz LGYJWFATBNHZQM-UHFFFAOYSA-N 0 0 315.760 2.974 50 0 DFAARN O=C(NCCc1ccccc1)c1cccc(Cn2cccn2)c1 ZINC000028577092 425822408 /nfs/dbraw/zinc/82/24/08/425822408.db2.gz PJOCTZOOAQIBRJ-UHFFFAOYSA-N 0 0 305.381 2.904 50 0 DFAARN COc1ccc(CNC(=O)c2cccc(Cn3cccn3)c2)cc1 ZINC000028576771 425822819 /nfs/dbraw/zinc/82/28/19/425822819.db2.gz RDILYBWEWVHJJN-UHFFFAOYSA-N 0 0 321.380 2.870 50 0 DFAARN Cc1ccc(S(=O)(=O)N(C)CCOc2ccc(F)cc2)cc1 ZINC000028942825 425823162 /nfs/dbraw/zinc/82/31/62/425823162.db2.gz WELPHEXNLKFRDZ-UHFFFAOYSA-N 0 0 323.389 2.834 50 0 DFAARN O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)c1ccccc1F ZINC000028914911 425823687 /nfs/dbraw/zinc/82/36/87/425823687.db2.gz IABJPTGMQQZEST-AWEZNQCLSA-N 0 0 318.279 2.515 50 0 DFAARN Cc1cc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)c(C)o1 ZINC000029075123 425824134 /nfs/dbraw/zinc/82/41/34/425824134.db2.gz UYCBOVSPDRQJGW-CQSZACIVSA-N 0 0 310.357 2.916 50 0 DFAARN Cc1occc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000029249080 425825000 /nfs/dbraw/zinc/82/50/00/425825000.db2.gz LMXKWEKHMQRJOW-CQSZACIVSA-N 0 0 314.389 2.883 50 0 DFAARN CCCCC[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000029432562 425826353 /nfs/dbraw/zinc/82/63/53/425826353.db2.gz NYFYSPCCBVHMDU-LLVKDONJSA-N 0 0 304.390 2.593 50 0 DFAARN C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000046464755 425865205 /nfs/dbraw/zinc/86/52/05/425865205.db2.gz HHTXQGDBGKUNML-GXTWGEPZSA-N 0 0 304.419 2.880 50 0 DFAARN Cc1nc(CCNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cs1 ZINC000029549591 425826728 /nfs/dbraw/zinc/82/67/28/425826728.db2.gz BRBBHNOSRXBJJO-CQSZACIVSA-N 0 0 322.817 2.767 50 0 DFAARN CS(=O)(=O)c1ccccc1C(=O)NCCC1=CCCCC1 ZINC000029690157 425827565 /nfs/dbraw/zinc/82/75/65/425827565.db2.gz HDKXFIBLMMWEMH-UHFFFAOYSA-N 0 0 307.415 2.710 50 0 DFAARN C[C@H](Sc1nc2ncccn2n1)c1nc(-c2ccco2)no1 ZINC000029740404 425828983 /nfs/dbraw/zinc/82/89/83/425828983.db2.gz VUOXZZCHQBUSBU-QMMMGPOBSA-N 0 0 314.330 2.621 50 0 DFAARN Cc1ccc(OCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c(C)c1 ZINC000029839127 425829491 /nfs/dbraw/zinc/82/94/91/425829491.db2.gz LVKLSEYHGZLSAT-UHFFFAOYSA-N 0 0 312.325 2.755 50 0 DFAARN COc1ccc(N[C@H](C)C(=O)NCCC2=CCCCC2)cn1 ZINC000030009510 425830368 /nfs/dbraw/zinc/83/03/68/425830368.db2.gz YVVQCUVNRLGFDC-CYBMUJFWSA-N 0 0 303.406 2.897 50 0 DFAARN CCOc1ncccc1CNC(=O)c1cc2c(s1)CCC2 ZINC000030308440 425830718 /nfs/dbraw/zinc/83/07/18/425830718.db2.gz XOQYIUQUZRMZIT-UHFFFAOYSA-N 0 0 302.399 2.961 50 0 DFAARN O=C(Cc1ccccc1F)NCc1ccc(N2CCCC2)nc1 ZINC000030299791 425831071 /nfs/dbraw/zinc/83/10/71/425831071.db2.gz AWPAUBYRTZJWJT-UHFFFAOYSA-N 0 0 313.376 2.680 50 0 DFAARN CCOCc1ccccc1CNS(=O)(=O)c1cccs1 ZINC000030519325 425831849 /nfs/dbraw/zinc/83/18/49/425831849.db2.gz JPUZALACDNRECP-UHFFFAOYSA-N 0 0 311.428 2.763 50 0 DFAARN Nc1cc(CCCNC(=O)c2ccccc2)nn1-c1ccccc1 ZINC000030585601 425832272 /nfs/dbraw/zinc/83/22/72/425832272.db2.gz MKNXYDMAQYAKTQ-UHFFFAOYSA-N 0 0 320.396 2.817 50 0 DFAARN CC[C@H]1CN(C(=O)c2cc(-c3ccccc3F)on2)CCO1 ZINC000030848468 425832929 /nfs/dbraw/zinc/83/29/29/425832929.db2.gz NICNIXDLIGBYCG-NSHDSACASA-N 0 0 304.321 2.732 50 0 DFAARN Cc1cc(C(=O)N2CCC(c3nncn3C)CC2)c(C)s1 ZINC000030857749 425832950 /nfs/dbraw/zinc/83/29/50/425832950.db2.gz VQJKEQYAXOZEPC-UHFFFAOYSA-N 0 0 304.419 2.513 50 0 DFAARN CC(C)c1noc(CCC(=O)Nc2nc3c(s2)CCC3)n1 ZINC000030891342 425833068 /nfs/dbraw/zinc/83/30/68/425833068.db2.gz BYOFMYZAEWYZKL-UHFFFAOYSA-N 0 0 306.391 2.710 50 0 DFAARN Cc1nn(C)c(C)c1NC(=O)CCC(=O)c1ccc(F)cc1 ZINC000030945975 425833262 /nfs/dbraw/zinc/83/32/62/425833262.db2.gz RWUUTRNEEXCITF-UHFFFAOYSA-N 0 0 303.337 2.778 50 0 DFAARN O=C(NC[C@H]1COc2ccccc2O1)N1CCc2ccccc2C1 ZINC000030981228 425833327 /nfs/dbraw/zinc/83/33/27/425833327.db2.gz DECLSFDIILAJTQ-INIZCTEOSA-N 0 0 324.380 2.594 50 0 DFAARN CN1CCN(C(=O)Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000030997339 425833583 /nfs/dbraw/zinc/83/35/83/425833583.db2.gz MHMFEPYZUALXDP-GOSISDBHSA-N 0 0 312.388 2.884 50 0 DFAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cc1ccccc1 ZINC000031192415 425834107 /nfs/dbraw/zinc/83/41/07/425834107.db2.gz QCIXRCSJOMSILI-UHFFFAOYSA-N 0 0 322.408 2.780 50 0 DFAARN CC(C)NC(=O)CN(C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000031083750 425834168 /nfs/dbraw/zinc/83/41/68/425834168.db2.gz FOGKZARNJIVFLY-UHFFFAOYSA-N 0 0 321.808 2.951 50 0 DFAARN Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1C ZINC000031177849 425834231 /nfs/dbraw/zinc/83/42/31/425834231.db2.gz PNMVYESOCAGYFF-MRXNPFEDSA-N 0 0 302.349 2.686 50 0 DFAARN Cc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(O)c1 ZINC000031368143 425834332 /nfs/dbraw/zinc/83/43/32/425834332.db2.gz UWUCJFKQMVXKIN-UHFFFAOYSA-N 0 0 312.325 2.910 50 0 DFAARN CCOc1ncccc1CNC(=O)c1cc(Br)c[nH]1 ZINC000031324541 425834654 /nfs/dbraw/zinc/83/46/54/425834654.db2.gz NUNAUMFKNJOWIG-UHFFFAOYSA-N 0 0 324.178 2.501 50 0 DFAARN O=C(NCc1ccco1)[C@H]1CCCN1Cc1cccc(F)c1F ZINC000031557974 425835147 /nfs/dbraw/zinc/83/51/47/425835147.db2.gz SGZPLNQRHSCOOU-OAHLLOKOSA-N 0 0 320.339 2.839 50 0 DFAARN Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccc(Cl)cc1 ZINC000031594705 425835236 /nfs/dbraw/zinc/83/52/36/425835236.db2.gz GBORFMUOKDUBPY-CQSZACIVSA-N 0 0 303.793 2.810 50 0 DFAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c(C)oc(C)c2C)no1 ZINC000031691059 425835611 /nfs/dbraw/zinc/83/56/11/425835611.db2.gz WHERDZDMNONYLR-LLVKDONJSA-N 0 0 306.318 2.685 50 0 DFAARN CCOC(=O)N[C@H](CNC(=O)c1ccc(C)s1)CC(C)C ZINC000031705962 425836099 /nfs/dbraw/zinc/83/60/99/425836099.db2.gz QGBOQYDQHRSQFV-LBPRGKRZSA-N 0 0 312.435 2.947 50 0 DFAARN CC(C)COCCC(=O)Nc1ccccc1N1CCCC1=O ZINC000031746707 425836187 /nfs/dbraw/zinc/83/61/87/425836187.db2.gz YSGWJMUCNHESGD-UHFFFAOYSA-N 0 0 304.390 2.815 50 0 DFAARN COC(=O)Cc1csc(NC(=O)C[C@@H](C)c2ccccc2)n1 ZINC000031765056 425836304 /nfs/dbraw/zinc/83/63/04/425836304.db2.gz YLTMFYLADQXHLG-LLVKDONJSA-N 0 0 318.398 2.991 50 0 DFAARN Cc1cc([C@H](C)NC(=O)Cn2c(C)csc2=O)c(C)s1 ZINC000031951386 425836689 /nfs/dbraw/zinc/83/66/89/425836689.db2.gz CCASWCCWEFIGEN-JTQLQIEISA-N 0 0 310.444 2.774 50 0 DFAARN COC(=O)c1ccc2nc(C)cc(NC(=O)c3cccnc3)c2c1 ZINC000031819822 425836706 /nfs/dbraw/zinc/83/67/06/425836706.db2.gz YYTCRSLWACCEOF-UHFFFAOYSA-N 0 0 321.336 2.977 50 0 DFAARN CC(C)(C)c1nnc(Cn2cc(C(F)(F)F)ccc2=O)o1 ZINC000031836464 425836763 /nfs/dbraw/zinc/83/67/63/425836763.db2.gz OHGAGVXFVLGLHM-UHFFFAOYSA-N 0 0 301.268 2.596 50 0 DFAARN O=C(Nc1ccc(F)cc1F)c1cn(-c2ccccc2)nn1 ZINC000031873743 425836968 /nfs/dbraw/zinc/83/69/68/425836968.db2.gz CXANGKMHCGTDKR-UHFFFAOYSA-N 0 0 300.268 2.798 50 0 DFAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1C ZINC000032096385 425837890 /nfs/dbraw/zinc/83/78/90/425837890.db2.gz GJQDUPGSCURQKG-KRWDZBQOSA-N 0 0 321.384 2.712 50 0 DFAARN Cc1sc2c(c1C)c1nc(Cc3ccccc3)nn1c(=O)n2C ZINC000032097278 425838101 /nfs/dbraw/zinc/83/81/01/425838101.db2.gz BXOAWNGVNFSFKG-UHFFFAOYSA-N 0 0 324.409 2.850 50 0 DFAARN O=C(NC[C@@H](O)c1ccccc1)c1ccc(-n2cccc2)cc1 ZINC000032095823 425838125 /nfs/dbraw/zinc/83/81/25/425838125.db2.gz KELNNQCJSRIRIU-GOSISDBHSA-N 0 0 306.365 2.941 50 0 DFAARN COc1cccc2ccn(CC(=O)NCc3ccccc3OC)c21 ZINC000032095941 425838235 /nfs/dbraw/zinc/83/82/35/425838235.db2.gz IBWFDSNRLPXTPP-UHFFFAOYSA-N 0 0 324.380 2.975 50 0 DFAARN Cc1nc2cc(NC(=O)Cc3cn4ccccc4n3)ccc2o1 ZINC000032451752 425838523 /nfs/dbraw/zinc/83/85/23/425838523.db2.gz LMIORHGYTGRODX-UHFFFAOYSA-N 0 0 306.325 2.965 50 0 DFAARN Cc1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1F ZINC000032406459 425838632 /nfs/dbraw/zinc/83/86/32/425838632.db2.gz KBFNQHKYTQEOJL-HNNXBMFYSA-N 0 0 321.373 2.936 50 0 DFAARN Cc1nn(C[C@@H](C)C(=O)NCc2ccccn2)c(C)c1Cl ZINC000032508859 425838856 /nfs/dbraw/zinc/83/88/56/425838856.db2.gz NILNCWUUHAUGBI-SNVBAGLBSA-N 0 0 306.797 2.501 50 0 DFAARN Cc1cc2oc(=O)cc(CN(C)Cc3cnn(C)c3)c2cc1C ZINC000032539964 425838958 /nfs/dbraw/zinc/83/89/58/425838958.db2.gz XTLRDUTXJSFPQO-UHFFFAOYSA-N 0 0 311.385 2.775 50 0 DFAARN CC[C@H](Cn1ccnc1)n1cnc2cccc(Cl)c2c1=O ZINC000032580890 425839015 /nfs/dbraw/zinc/83/90/15/425839015.db2.gz JVVQBZPEOMOJDJ-LLVKDONJSA-N 0 0 302.765 2.898 50 0 DFAARN COc1ccc(C(=O)NCCc2nc(-c3ccccc3)no2)cc1 ZINC000032593646 425839167 /nfs/dbraw/zinc/83/91/67/425839167.db2.gz VRSTZLKVJALHQJ-UHFFFAOYSA-N 0 0 323.352 2.718 50 0 DFAARN CCn1nnc2cc(C(=O)O[C@H](C)C(=O)c3ccccc3)ccc21 ZINC000032708148 425839253 /nfs/dbraw/zinc/83/92/53/425839253.db2.gz AUNMRFAVWRBRFX-GFCCVEGCSA-N 0 0 323.352 2.879 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2.738 50 0 DFAARN COCCCn1ccc(NC(=O)N[C@H](C)c2nc(C)cs2)n1 ZINC000077514969 426138364 /nfs/dbraw/zinc/13/83/64/426138364.db2.gz PRVZZOYMPSTTCJ-LLVKDONJSA-N 0 0 323.422 2.567 50 0 DFAARN COc1ccc2cccc(CC(=O)N[C@H](C)c3ncon3)c2c1 ZINC000170592891 426139047 /nfs/dbraw/zinc/13/90/47/426139047.db2.gz NUENASMQLAZKIG-LLVKDONJSA-N 0 0 311.341 2.651 50 0 DFAARN CSc1ncccc1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000077181677 426121910 /nfs/dbraw/zinc/12/19/10/426121910.db2.gz SVTQPJWACKAHNM-CQSZACIVSA-N 0 0 308.428 2.503 50 0 DFAARN CCOC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 ZINC000077302004 426125730 /nfs/dbraw/zinc/12/57/30/426125730.db2.gz NKAOSHOZUSWEMQ-UHFFFAOYSA-N 0 0 309.325 2.784 50 0 in-vitro DFAARN O=C(Cc1ccsc1)N1CCCC[C@@H]1CCn1cccn1 ZINC000077286348 426125782 /nfs/dbraw/zinc/12/57/82/426125782.db2.gz MTBULKQCGBWXPW-OAHLLOKOSA-N 0 0 303.431 2.959 50 0 DFAARN COCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000077288051 426126293 /nfs/dbraw/zinc/12/62/93/426126293.db2.gz NZTYOGKVNRGKKJ-HNNXBMFYSA-N 0 0 313.401 2.738 50 0 DFAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)C[C@H]1COCCO1 ZINC000077301360 426126602 /nfs/dbraw/zinc/12/66/02/426126602.db2.gz RREOWBAWLXSTRU-AWEZNQCLSA-N 0 0 317.385 2.845 50 0 DFAARN COc1cccc([C@H]2CCCCN2C(=O)c2ccc(=O)[nH]c2)c1 ZINC000077286573 426126726 /nfs/dbraw/zinc/12/67/26/426126726.db2.gz NSYCXAZJJUMIMR-MRXNPFEDSA-N 0 0 312.369 2.751 50 0 DFAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ncoc3C)C2)c1 ZINC000077322002 426127259 /nfs/dbraw/zinc/12/72/59/426127259.db2.gz AZPOMZOSTGPXKU-GFCCVEGCSA-N 0 0 316.357 2.630 50 0 DFAARN O=C(c1ccccc1-c1nc[nH]n1)N1CCC[C@H]1c1ccccn1 ZINC000077342955 426127327 /nfs/dbraw/zinc/12/73/27/426127327.db2.gz AHFWIEQCIUTZQT-INIZCTEOSA-N 0 0 319.368 2.844 50 0 DFAARN COc1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000114205933 426128670 /nfs/dbraw/zinc/12/86/70/426128670.db2.gz UNCBDUBAQKPMJE-UHFFFAOYSA-N 0 0 320.330 2.713 50 0 DFAARN CN(Cc1cnn(-c2ccc(F)cc2)c1)c1ncnc2[nH]ccc21 ZINC000077354826 426129483 /nfs/dbraw/zinc/12/94/83/426129483.db2.gz FPBOICUVMKRUSE-UHFFFAOYSA-N 0 0 322.347 2.919 50 0 DFAARN Cc1noc2ncnc(N3CCCN(c4ccccc4C)CC3)c12 ZINC000077377389 426130448 /nfs/dbraw/zinc/13/04/48/426130448.db2.gz YIQHRJUOVUWKGN-UHFFFAOYSA-N 0 0 323.400 2.951 50 0 DFAARN CN(Cc1cc(-c2ccncc2)no1)c1ncnc2c1CCC2 ZINC000077386044 426132479 /nfs/dbraw/zinc/13/24/79/426132479.db2.gz XTASPNWBARTGMD-UHFFFAOYSA-N 0 0 307.357 2.652 50 0 DFAARN CC(C)[C@H]1NC(=O)N(CCc2nc(C(C)(C)C)cs2)C1=O ZINC000170592547 426138880 /nfs/dbraw/zinc/13/88/80/426138880.db2.gz IUDVMZYJNAWJIA-GFCCVEGCSA-N 0 0 309.435 2.560 50 0 DFAARN CCc1nc(N2CCC[C@@H](COc3cccc(OC)c3)C2)no1 ZINC000077440355 426134146 /nfs/dbraw/zinc/13/41/46/426134146.db2.gz FLEMTGOVCQAWNX-CYBMUJFWSA-N 0 0 317.389 2.936 50 0 DFAARN O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)s1 ZINC000077452902 426134506 /nfs/dbraw/zinc/13/45/06/426134506.db2.gz QUPWUMUEEHFWTL-SNVBAGLBSA-N 0 0 315.822 2.860 50 0 DFAARN CC(C)C[C@H](O)C1CCN(C(=O)CCc2ccncc2)CC1 ZINC000077457395 426134542 /nfs/dbraw/zinc/13/45/42/426134542.db2.gz SRPRIPPPHNEMAK-KRWDZBQOSA-N 0 0 304.434 2.660 50 0 DFAARN O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077485315 426135376 /nfs/dbraw/zinc/13/53/76/426135376.db2.gz PHMNSJGYBOVLMW-LBPRGKRZSA-N 0 0 319.792 2.717 50 0 DFAARN CC[C@@H](C)Oc1cc(CNC(=O)c2cncc(F)c2)ccn1 ZINC000170592310 426138987 /nfs/dbraw/zinc/13/89/87/426138987.db2.gz VGTMJROPDAJXPK-LLVKDONJSA-N 0 0 303.337 2.723 50 0 DFAARN COc1cnccc1[C@@H](C)NC(=O)CCc1nc2ccccc2[nH]1 ZINC000170603164 426139015 /nfs/dbraw/zinc/13/90/15/426139015.db2.gz SPCMSNIRLAGHOT-GFCCVEGCSA-N 0 0 324.384 2.777 50 0 DFAARN C[C@@H](OC1CCCCCC1)C(=O)Nc1nnc2n1CCCC2 ZINC000162700319 426073784 /nfs/dbraw/zinc/07/37/84/426073784.db2.gz OKIOWLNXMMENEU-GFCCVEGCSA-N 0 0 306.410 2.681 50 0 DFAARN Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)s1 ZINC000075521128 426075739 /nfs/dbraw/zinc/07/57/39/426075739.db2.gz YGASVUXWOPFUSD-CYBMUJFWSA-N 0 0 318.373 2.731 50 0 DFAARN CC(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000075551534 426077593 /nfs/dbraw/zinc/07/75/93/426077593.db2.gz IXNWAZMHQKQOQP-CYBMUJFWSA-N 0 0 321.396 2.842 50 0 DFAARN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1noc(C2CC2)n1 ZINC000075605240 426078298 /nfs/dbraw/zinc/07/82/98/426078298.db2.gz IINFEEDLANTBIO-NSHDSACASA-N 0 0 321.812 2.979 50 0 DFAARN Cc1cc(NC(=O)[C@H](C)SCc2nc(C3CC3)no2)on1 ZINC000075584402 426078317 /nfs/dbraw/zinc/07/83/17/426078317.db2.gz IQBYORCGDWTDAM-QMMMGPOBSA-N 0 0 308.363 2.504 50 0 DFAARN COc1ccc(OC2CCN(C(=O)[C@H](C)OC(C)C)CC2)cc1 ZINC000077523935 426137769 /nfs/dbraw/zinc/13/77/69/426137769.db2.gz OTYILPUYVQNPFW-AWEZNQCLSA-N 0 0 321.417 2.879 50 0 DFAARN COC(=O)c1ccc(NCc2cc(-c3ccccc3)on2)nn1 ZINC000170604180 426139442 /nfs/dbraw/zinc/13/94/42/426139442.db2.gz QOSBNQRQSNBHJL-UHFFFAOYSA-N 0 0 310.313 2.530 50 0 DFAARN O=C(NC[C@@H]1COCCO1)N1CCC[C@@H]1CC1CCCCC1 ZINC000170601388 426139463 /nfs/dbraw/zinc/13/94/63/426139463.db2.gz PMPFYBCJUCKODF-HZPDHXFCSA-N 0 0 310.438 2.546 50 0 DFAARN O=c1[nH]c2cc(NCc3ccc(N4CCCC4)nc3)ccc2o1 ZINC000170606935 426140658 /nfs/dbraw/zinc/14/06/58/426140658.db2.gz AHUROKDOKWWGSW-UHFFFAOYSA-N 0 0 310.357 2.728 50 0 DFAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCCO)nc(=O)c12 ZINC000170625460 426141204 /nfs/dbraw/zinc/14/12/04/426141204.db2.gz LLIITULQLIWGPO-QMMMGPOBSA-N 0 0 312.460 2.966 50 0 DFAARN CCn1c2ccccc2c([O-])c(C(=O)NCCC(C)C)c1=O ZINC000170624811 426141396 /nfs/dbraw/zinc/14/13/96/426141396.db2.gz VFTZAJNIPYFQNU-UHFFFAOYSA-N 0 0 302.374 2.503 50 0 DFAARN CN(Cc1nc[nH]n1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000170644449 426141702 /nfs/dbraw/zinc/14/17/02/426141702.db2.gz QGJVAPXZSGEUTP-RYUDHWBXSA-N 0 0 324.306 2.586 50 0 DFAARN CSC[C@H](CCO)NC(=O)Nc1cccc(Cl)c1F ZINC000077671377 426143710 /nfs/dbraw/zinc/14/37/10/426143710.db2.gz JSVZSUPXYRQERI-QMMMGPOBSA-N 0 0 306.790 2.715 50 0 DFAARN CO[C@@H](C(=O)NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000077703220 426146144 /nfs/dbraw/zinc/14/61/44/426146144.db2.gz UXFVZGZDXKYUGH-GOSISDBHSA-N 0 0 321.380 2.876 50 0 DFAARN CN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 ZINC000078035227 426156004 /nfs/dbraw/zinc/15/60/04/426156004.db2.gz OVEUZBVDGULBRG-WFASDCNBSA-N 0 0 318.398 2.519 50 0 DFAARN CCCNC(=O)c1cccc(C(=O)NCc2ccoc2C)c1 ZINC000078113167 426158449 /nfs/dbraw/zinc/15/84/49/426158449.db2.gz JDLNMTRBFWOEGD-UHFFFAOYSA-N 0 0 300.358 2.658 50 0 DFAARN Cn1ncc(N2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1=O ZINC000078335137 426166240 /nfs/dbraw/zinc/16/62/40/426166240.db2.gz SPLCBFKDODESQG-ZDUSSCGKSA-N 0 0 303.793 2.503 50 0 DFAARN Cc1cnc([C@H](Nc2cnn(C)c(=O)c2Cl)C2CC2)s1 ZINC000078399697 426168556 /nfs/dbraw/zinc/16/85/56/426168556.db2.gz BUGCPFVOBOTCJM-LLVKDONJSA-N 0 0 310.810 2.762 50 0 DFAARN C[C@H](OC(=O)c1cscn1)c1ccc(-n2cncn2)cc1 ZINC000078411441 426169315 /nfs/dbraw/zinc/16/93/15/426169315.db2.gz BUELSZIYKNGGQA-JTQLQIEISA-N 0 0 300.343 2.642 50 0 DFAARN Cc1ncc(COC(=O)c2cccc3c2O[C@H](C)C(=O)N3)s1 ZINC000078445818 426170124 /nfs/dbraw/zinc/17/01/24/426170124.db2.gz JOHBIIQEUHASII-MRVPVSSYSA-N 0 0 318.354 2.528 50 0 DFAARN COC(=O)c1ccc(C(=O)OCCc2scnc2C)s1 ZINC000078442220 426170217 /nfs/dbraw/zinc/17/02/17/426170217.db2.gz KYGOSXBXOLZBDO-UHFFFAOYSA-N 0 0 311.384 2.699 50 0 DFAARN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000078441192 426170733 /nfs/dbraw/zinc/17/07/33/426170733.db2.gz CGTFKMGKMVDWMH-GXSJLCMTSA-N 0 0 318.343 2.773 50 0 DFAARN Cc1nc2ccccc2nc1Cn1nc(C(C)(C)C)ccc1=O ZINC000171167142 426174517 /nfs/dbraw/zinc/17/45/17/426174517.db2.gz XAZBBPHAYABMRJ-UHFFFAOYSA-N 0 0 308.385 2.841 50 0 DFAARN Cc1ccccc1CCNC(=O)C[S@@](=O)Cc1ccccc1 ZINC000078556021 426174612 /nfs/dbraw/zinc/17/46/12/426174612.db2.gz DEZGRUYBCVXYIX-JOCHJYFZSA-N 0 0 315.438 2.603 50 0 DFAARN Cc1ncsc1COC(=O)c1cc2ccccc2oc1=O ZINC000078554256 426175441 /nfs/dbraw/zinc/17/54/41/426175441.db2.gz ZIGXJIGBVLCSQS-UHFFFAOYSA-N 0 0 301.323 2.915 50 0 DFAARN C[C@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[C@H]1CCCO1 ZINC000078611660 426177056 /nfs/dbraw/zinc/17/70/56/426177056.db2.gz FGLDDGXNGRZWDV-XHDPSFHLSA-N 0 0 318.352 2.700 50 0 DFAARN Cc1cccc(NC(=O)C(=O)NCc2csc(C(C)C)n2)c1 ZINC000078602892 426177167 /nfs/dbraw/zinc/17/71/67/426177167.db2.gz OJDWJYZURRIELF-UHFFFAOYSA-N 0 0 317.414 2.830 50 0 DFAARN COCCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CCCC1 ZINC000078613274 426178544 /nfs/dbraw/zinc/17/85/44/426178544.db2.gz JSLUDPVAECXOOV-UHFFFAOYSA-N 0 0 319.401 2.971 50 0 DFAARN COC(=O)N1CCC[C@@H](C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000171460145 426190689 /nfs/dbraw/zinc/19/06/89/426190689.db2.gz RERXQBCSFWOJHE-SNVBAGLBSA-N 0 0 311.407 2.683 50 0 DFAARN CCOC(=O)C[C@@H](c1c(C)[nH][nH]c1=O)c1ccc(OC)cc1 ZINC000079495083 426194561 /nfs/dbraw/zinc/19/45/61/426194561.db2.gz UNSQVPHDCLOCSR-CYBMUJFWSA-N 0 0 304.346 2.517 50 0 DFAARN CN(CCN(C)c1ccccc1)Cn1cnc(-c2ccccc2)n1 ZINC000117863908 426224602 /nfs/dbraw/zinc/22/46/02/426224602.db2.gz MKQQIQYROGFRMG-UHFFFAOYSA-N 0 0 321.428 2.971 50 0 DFAARN Cn1ccnc1[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 ZINC000082087861 426226899 /nfs/dbraw/zinc/22/68/99/426226899.db2.gz YODDXNLPXDCSIR-HNNXBMFYSA-N 0 0 315.392 2.898 50 0 DFAARN O=C(NCC1(C2CC2)CC1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000118956033 426251335 /nfs/dbraw/zinc/25/13/35/426251335.db2.gz GRGLQNVJDRZZST-UHFFFAOYSA-N 0 0 305.378 2.911 50 0 DFAARN O=C(NCc1ncc2c(n1)CCC2)c1cc(-c2ccccc2)on1 ZINC000085479243 426252108 /nfs/dbraw/zinc/25/21/08/426252108.db2.gz XSDAWEZOHGDIMP-UHFFFAOYSA-N 0 0 320.352 2.550 50 0 DFAARN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000088270189 426275248 /nfs/dbraw/zinc/27/52/48/426275248.db2.gz HVGFFDFRDWPNKU-RQJABVFESA-N 0 0 305.374 2.621 50 0 DFAARN Cc1cnc(NC(=O)C[C@H]2CC(=O)Oc3ccccc32)s1 ZINC000080332748 426213536 /nfs/dbraw/zinc/21/35/36/426213536.db2.gz CPBSPGVTTIZVPZ-JTQLQIEISA-N 0 0 302.355 2.873 50 0 DFAARN CNC(=O)Nc1cc(I)ccc1Cl ZINC000089391656 426288476 /nfs/dbraw/zinc/28/84/76/426288476.db2.gz KGDNZBLSXUMOKY-UHFFFAOYSA-N 0 0 310.522 2.696 50 0 DFAARN COC(=O)c1cccc(CNC(=O)NCc2cccc(F)c2)c1 ZINC000089406915 426289261 /nfs/dbraw/zinc/28/92/61/426289261.db2.gz OEVRUQMTIHAKQF-UHFFFAOYSA-N 0 0 316.332 2.612 50 0 DFAARN Cc1nn(C)c(C)c1CCNc1nc2ccccc2cc1CO ZINC000089505842 426294316 /nfs/dbraw/zinc/29/43/16/426294316.db2.gz AHQRSCMFPLGRAJ-UHFFFAOYSA-N 0 0 310.401 2.732 50 0 DFAARN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccnn1C ZINC000089574068 426296627 /nfs/dbraw/zinc/29/66/27/426296627.db2.gz HMYPMUXGOOXPIC-VIFPVBQESA-N 0 0 324.178 2.589 50 0 DFAARN COC(=O)[C@H](NCc1nc(C)c2ccccc2n1)C(C)(C)C ZINC000089568327 426296896 /nfs/dbraw/zinc/29/68/96/426296896.db2.gz PZWFHGQDCNEKBY-HNNXBMFYSA-N 0 0 301.390 2.616 50 0 DFAARN Cc1cc(=O)[nH]cc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000089568375 426296958 /nfs/dbraw/zinc/29/69/58/426296958.db2.gz QLCHYHIMLQAXRD-UHFFFAOYSA-N 0 0 300.383 2.674 50 0 DFAARN Cc1cnc(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)o1 ZINC000089570455 426297119 /nfs/dbraw/zinc/29/71/19/426297119.db2.gz YRKGPOWRFIHXIK-UHFFFAOYSA-N 0 0 318.757 2.562 50 0 DFAARN Cc1ccc(NCCNC(=O)c2cc(C)c(F)cc2Cl)nn1 ZINC000089652359 426301299 /nfs/dbraw/zinc/30/12/99/426301299.db2.gz JGLSRGGTKHNGQP-UHFFFAOYSA-N 0 0 322.771 2.728 50 0 DFAARN Cc1ccc2nc(CNc3ccccc3CC(=O)N(C)C)cn2c1 ZINC000089668942 426301377 /nfs/dbraw/zinc/30/13/77/426301377.db2.gz JXNCYDBZJQWZAZ-UHFFFAOYSA-N 0 0 322.412 2.886 50 0 DFAARN Cc1ccc([C@H]2COCCN2C(=O)NCc2scnc2C)o1 ZINC000089652793 426301406 /nfs/dbraw/zinc/30/14/06/426301406.db2.gz IZWWLTLKCIDWAP-GFCCVEGCSA-N 0 0 321.402 2.636 50 0 DFAARN Cc1ccc(CNC(=O)Nc2nc3c(s2)COCC3)s1 ZINC000089656582 426301623 /nfs/dbraw/zinc/30/16/23/426301623.db2.gz MHVFNNHXHWHFIV-UHFFFAOYSA-N 0 0 309.416 2.907 50 0 DFAARN CC(C)(C)c1n[nH]cc1CNc1cnn(C[C@H]2CCCO2)c1 ZINC000089694610 426302960 /nfs/dbraw/zinc/30/29/60/426302960.db2.gz WHOBZVMATDYWBV-CQSZACIVSA-N 0 0 303.410 2.695 50 0 DFAARN Cc1nccn1CCCCNC(=O)NC[C@@]1(C)CCCS1 ZINC000089735612 426304878 /nfs/dbraw/zinc/30/48/78/426304878.db2.gz JIPYAGZKIRQDCI-OAHLLOKOSA-N 0 0 310.467 2.557 50 0 DFAARN CC(C)(C)n1nc(C(=O)N2CC[C@@]3(CCOC3)C2)cc1C1CC1 ZINC000089761578 426307292 /nfs/dbraw/zinc/30/72/92/426307292.db2.gz WIFFPPCPHXECQD-GOSISDBHSA-N 0 0 317.433 2.768 50 0 DFAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc2n[nH]nc2c1 ZINC000089781023 426308177 /nfs/dbraw/zinc/30/81/77/426308177.db2.gz PJEMDQVROCYIAU-UHFFFAOYSA-N 0 0 312.304 2.699 50 0 DFAARN Fc1ccc(Cc2noc(N[C@H]3CCO[C@@H]3C3CC3)n2)cc1 ZINC000089787953 426309079 /nfs/dbraw/zinc/30/90/79/426309079.db2.gz ZIMQYPGTJCKVNG-DZGCQCFKSA-N 0 0 303.337 2.779 50 0 DFAARN O=C(NCCc1cccc(O)c1)c1cnc([C@H]2CCCO2)s1 ZINC000089800430 426309557 /nfs/dbraw/zinc/30/95/57/426309557.db2.gz FYJNEHCUEGSBPN-CYBMUJFWSA-N 0 0 318.398 2.673 50 0 DFAARN O=C(CCC(=O)N1CCC[C@@H]1CO)c1ccc2c(c1)CCCC2 ZINC000089800334 426309818 /nfs/dbraw/zinc/30/98/18/426309818.db2.gz OWOWJNHAKTZTLE-QGZVFWFLSA-N 0 0 315.413 2.512 50 0 DFAARN Cc1nc(C2(NCc3csc([C@@H]4CCCO4)n3)CCC2)no1 ZINC000120314779 426310126 /nfs/dbraw/zinc/31/01/26/426310126.db2.gz MDTXVADBXSXRCO-LBPRGKRZSA-N 0 0 320.418 2.855 50 0 DFAARN O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCN(C2CC2)CC1 ZINC000089813440 426310484 /nfs/dbraw/zinc/31/04/84/426310484.db2.gz UCVGQQFAHKGZHM-HUUCEWRRSA-N 0 0 304.821 2.750 50 0 DFAARN CC(C)CO[C@H]1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000089840274 426312261 /nfs/dbraw/zinc/31/22/61/426312261.db2.gz MCCBNLZZNDMECI-FPTDNZKUSA-N 0 0 324.446 2.703 50 0 DFAARN NC(=O)NCc1ccc(C(=O)Nc2cncc3ccccc32)cc1 ZINC000089873281 426314643 /nfs/dbraw/zinc/31/46/43/426314643.db2.gz QMOMWCCMWAJZRY-UHFFFAOYSA-N 0 0 320.352 2.655 50 0 DFAARN OCc1cc2ccccc2nc1N1CCC(n2cccn2)CC1 ZINC000089873033 426314715 /nfs/dbraw/zinc/31/47/15/426314715.db2.gz POFCDOQPLZRVJS-UHFFFAOYSA-N 0 0 308.385 2.765 50 0 DFAARN COCc1cc(NC(=O)N[C@@H](C)CCc2ccccc2)ncn1 ZINC000089895741 426316034 /nfs/dbraw/zinc/31/60/34/426316034.db2.gz LEBIMRKDNGIVQY-ZDUSSCGKSA-N 0 0 314.389 2.766 50 0 DFAARN C[C@H](NC(=O)Nc1cccc(OCCF)c1)C1CCOCC1 ZINC000089894396 426316092 /nfs/dbraw/zinc/31/60/92/426316092.db2.gz MBXUNJGZTRHENB-LBPRGKRZSA-N 0 0 310.369 2.972 50 0 DFAARN CS[C@H](C)CC(=O)O[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000089894561 426316171 /nfs/dbraw/zinc/31/61/71/426316171.db2.gz UYHWKSRHODSKFY-OLZOCXBDSA-N 0 0 309.431 2.718 50 0 DFAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cc(C2CC2)nn1 ZINC000089894197 426316470 /nfs/dbraw/zinc/31/64/70/426316470.db2.gz ZHPQKKGNSXOYKB-CQSZACIVSA-N 0 0 324.428 2.983 50 0 DFAARN CSCC[C@@H](C)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000089895645 426316526 /nfs/dbraw/zinc/31/65/26/426316526.db2.gz KTLWLZXDDBWWCX-CHWSQXEVSA-N 0 0 300.468 2.919 50 0 DFAARN COC[C@H](C)C(=O)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000089901572 426317272 /nfs/dbraw/zinc/31/72/72/426317272.db2.gz IBOGNVQHKXJWHZ-VIFPVBQESA-N 0 0 303.280 2.713 50 0 DFAARN C[C@@]1(CNC(=O)NCCCCNc2ccccn2)CCCS1 ZINC000089919375 426318135 /nfs/dbraw/zinc/31/81/35/426318135.db2.gz OOFRKRCZGMGTHY-INIZCTEOSA-N 0 0 322.478 2.859 50 0 DFAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCOC[C@@H]1CCCO1 ZINC000089922426 426318704 /nfs/dbraw/zinc/31/87/04/426318704.db2.gz HEAMLHVOGIYTND-UGUYLWEFSA-N 0 0 310.438 2.545 50 0 DFAARN COCc1c2ccccc2sc1C(=O)N1CCN(C)C[C@@H]1C ZINC000089938270 426319474 /nfs/dbraw/zinc/31/94/74/426319474.db2.gz LGVSOHKZFHZTIU-LBPRGKRZSA-N 0 0 318.442 2.824 50 0 DFAARN C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](c2ccccc2)CO1 ZINC000089930152 426319699 /nfs/dbraw/zinc/31/96/99/426319699.db2.gz XYRTWGZTCYRCJJ-MLGOLLRUSA-N 0 0 311.385 2.501 50 0 DFAARN CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccsc2)cc1 ZINC000089943572 426320559 /nfs/dbraw/zinc/32/05/59/426320559.db2.gz DSIMTRIMLAFWIZ-OAHLLOKOSA-N 0 0 318.442 2.790 50 0 DFAARN C[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)cc2cccnc21 ZINC000089938365 426320746 /nfs/dbraw/zinc/32/07/46/426320746.db2.gz AKZMDZZUFCGYFA-LLVKDONJSA-N 0 0 303.793 2.664 50 0 DFAARN CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000089943574 426321274 /nfs/dbraw/zinc/32/12/74/426321274.db2.gz LGHVYZXBQIVUFX-GUYCJALGSA-N 0 0 313.401 2.880 50 0 DFAARN C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCc1ccccn1 ZINC000089941197 426321387 /nfs/dbraw/zinc/32/13/87/426321387.db2.gz FPCYSBXMLKRJHA-HNNXBMFYSA-N 0 0 324.428 2.674 50 0 DFAARN Cc1cc(CN(c2ccccc2F)S(=O)(=O)C(C)C)no1 ZINC000090990845 426335568 /nfs/dbraw/zinc/33/55/68/426335568.db2.gz SREJJCOSFHSJIN-UHFFFAOYSA-N 0 0 312.366 2.867 50 0 DFAARN CCc1nnc(SCc2cc(C(=O)OC)sc2C)n1C ZINC000089119811 426280072 /nfs/dbraw/zinc/28/00/72/426280072.db2.gz BXIUCGWTBPNFCR-UHFFFAOYSA-N 0 0 311.432 2.826 50 0 DFAARN CC(=O)c1c(F)cccc1NCCNC(=O)c1ccc(O)cc1 ZINC000089265770 426284488 /nfs/dbraw/zinc/28/44/88/426284488.db2.gz REHRLOADELSZLM-UHFFFAOYSA-N 0 0 316.332 2.576 50 0 DFAARN CN(C)c1ccc(NC(=O)NC2(CCO)CCCCC2)cc1 ZINC000089326586 426286883 /nfs/dbraw/zinc/28/68/83/426286883.db2.gz DTRSYVINNVYOKL-UHFFFAOYSA-N 0 0 305.422 2.959 50 0 DFAARN CCOc1ncc(NC(=O)Nc2ccccc2)c(OCC)n1 ZINC000096098744 426396661 /nfs/dbraw/zinc/39/66/61/426396661.db2.gz KISWEVITFXPTRU-UHFFFAOYSA-N 0 0 302.334 2.918 50 0 DFAARN O=C(NCCc1ccccc1)c1noc(-c2ccc(F)cc2)n1 ZINC000096105450 426397459 /nfs/dbraw/zinc/39/74/59/426397459.db2.gz XUHVZZWVHPBMDH-UHFFFAOYSA-N 0 0 311.316 2.848 50 0 DFAARN O=C(Nc1ccc(F)cn1)N1CCO[C@@H](c2cccs2)C1 ZINC000122829674 426397538 /nfs/dbraw/zinc/39/75/38/426397538.db2.gz GPVYCOIEOBFAMB-LLVKDONJSA-N 0 0 307.350 2.888 50 0 DFAARN Cn1nc(CNC(=O)Cc2ccccc2Cl)cc1C1CC1 ZINC000096099308 426397640 /nfs/dbraw/zinc/39/76/40/426397640.db2.gz CNQBSGCKZNEOTD-UHFFFAOYSA-N 0 0 303.793 2.810 50 0 DFAARN CSc1ccc([C@H](O)CNC(=O)Cc2ccsc2)cc1 ZINC000096103168 426397707 /nfs/dbraw/zinc/39/77/07/426397707.db2.gz XOKMNMMHVHOJOY-CQSZACIVSA-N 0 0 307.440 2.862 50 0 DFAARN O=C(NCCc1ccco1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000096118131 426398645 /nfs/dbraw/zinc/39/86/45/426398645.db2.gz RDKRNGZTJLTNJS-UHFFFAOYSA-N 0 0 323.352 2.577 50 0 DFAARN O=C(/C=C/c1ccccc1)NCc1nccc(N2CCCCC2)n1 ZINC000096120844 426399090 /nfs/dbraw/zinc/39/90/90/426399090.db2.gz SUHFZVOXGCPPCB-MDZDMXLPSA-N 0 0 322.412 2.797 50 0 DFAARN CC(C)C[C@H](O)c1nc(-c2ccc(Cl)cc2)nn1CCO ZINC000096137470 426399842 /nfs/dbraw/zinc/39/98/42/426399842.db2.gz YNXOXPUMPJHECG-ZDUSSCGKSA-N 0 0 309.797 2.670 50 0 DFAARN Cc1n[nH]c(C)c1CCC(=O)N[C@H](C)c1ccc(O)c(F)c1 ZINC000096131080 426399850 /nfs/dbraw/zinc/39/98/50/426399850.db2.gz WKQNMFWPCDNPSR-SECBINFHSA-N 0 0 305.353 2.681 50 0 DFAARN O=C(Cc1ccccc1Cl)Nc1cnn([C@H]2CCOC2)c1 ZINC000096123117 426399987 /nfs/dbraw/zinc/39/99/87/426399987.db2.gz NAZGTGJCZACECB-ZDUSSCGKSA-N 0 0 305.765 2.679 50 0 DFAARN O=C(N1CCc2ncncc2C1)C1(c2cccs2)CCCC1 ZINC000096122746 426400292 /nfs/dbraw/zinc/40/02/92/426400292.db2.gz UWJGRNPHLWRGCQ-UHFFFAOYSA-N 0 0 313.426 2.935 50 0 DFAARN Cc1nn(C)c2nc(N[C@@H](c3nccn3C)C(C)C)sc12 ZINC000096140021 426400469 /nfs/dbraw/zinc/40/04/69/426400469.db2.gz IBDSPUXYUGZYIB-SNVBAGLBSA-N 0 0 304.423 2.881 50 0 DFAARN O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCc2[nH]cnc2C1 ZINC000096133267 426400754 /nfs/dbraw/zinc/40/07/54/426400754.db2.gz MKNNUFOXSYPUSI-UHFFFAOYSA-N 0 0 322.343 2.809 50 0 DFAARN Cc1nn(C)c2nc(N[C@@H](CC(C)C)c3ncnn3C)sc12 ZINC000096140644 426401257 /nfs/dbraw/zinc/40/12/57/426401257.db2.gz MUTQOYOJPXQPGU-JTQLQIEISA-N 0 0 319.438 2.666 50 0 DFAARN COc1cc(-c2cc(C)ccc2OCC(N)=O)c(Cl)cn1 ZINC000096148709 426401573 /nfs/dbraw/zinc/40/15/73/426401573.db2.gz JQVFATAOYOIRET-UHFFFAOYSA-N 0 0 306.749 2.583 50 0 DFAARN CN(C[C@H]1COCCO1)C(=O)Nc1ccc(-c2ccco2)cc1 ZINC000096163935 426403178 /nfs/dbraw/zinc/40/31/78/426403178.db2.gz SJPKALIBCKXIOY-HNNXBMFYSA-N 0 0 316.357 2.826 50 0 DFAARN Cc1cc(OC(F)F)ccc1NC(=O)NCCc1ccnn1C ZINC000096166228 426403782 /nfs/dbraw/zinc/40/37/82/426403782.db2.gz CCYQGBMBBDHZFG-UHFFFAOYSA-N 0 0 324.331 2.694 50 0 DFAARN C[C@H]1CN(C(=O)CCn2ncc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000096181992 426404950 /nfs/dbraw/zinc/40/49/50/426404950.db2.gz ASJPAEJPORBLGS-RYUDHWBXSA-N 0 0 321.808 2.716 50 0 DFAARN COc1ccc(Nc2cc(C(=O)N3CCCC3)nc(C)n2)cc1 ZINC000096182709 426405016 /nfs/dbraw/zinc/40/50/16/426405016.db2.gz SDNVOPFDUXGOKM-UHFFFAOYSA-N 0 0 312.373 2.773 50 0 DFAARN CCSCCC(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000091364643 426341552 /nfs/dbraw/zinc/34/15/52/426341552.db2.gz XKWDWHDAXGUFJB-QGZVFWFLSA-N 0 0 324.490 2.523 50 0 DFAARN O=C(Cc1ccccc1Cl)N1CC[C@H](Oc2ccncc2)C1 ZINC000121477231 426345448 /nfs/dbraw/zinc/34/54/48/426345448.db2.gz YMQHJKJQOQKNDO-HNNXBMFYSA-N 0 0 316.788 2.957 50 0 DFAARN Cc1cccc(C(NC(=O)[C@@H]2CCC(=O)N2)c2cccc(C)c2)c1 ZINC000176153694 426355820 /nfs/dbraw/zinc/35/58/20/426355820.db2.gz CYWJCPAQRWUXJS-KRWDZBQOSA-N 0 0 322.408 2.788 50 0 DFAARN CN1CCN(Cc2cnc(-c3cccs3)s2)C(C)(C)C1=O ZINC000093642687 426358792 /nfs/dbraw/zinc/35/87/92/426358792.db2.gz NZWDZVSHKHNDFQ-UHFFFAOYSA-N 0 0 321.471 2.924 50 0 DFAARN COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2nccs2)C1 ZINC000096193098 426405696 /nfs/dbraw/zinc/40/56/96/426405696.db2.gz WEHKRFWRFOXMET-OAHLLOKOSA-N 0 0 317.370 2.674 50 0 DFAARN CN(C)c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000095349077 426367165 /nfs/dbraw/zinc/36/71/65/426367165.db2.gz NIGCMWWQGAQAAE-UHFFFAOYSA-N 0 0 322.368 2.733 50 0 DFAARN C[C@@H]1C[C@@H](NC(=O)c2cccc3c2OCC(=O)N3)c2ccccc21 ZINC000095350988 426367236 /nfs/dbraw/zinc/36/72/36/426367236.db2.gz KNSWAVYZKUBBJN-BDJLRTHQSA-N 0 0 322.364 2.996 50 0 DFAARN Cc1nc(N(C)C)ncc1C(=O)N(Cc1ccsc1)C1CC1 ZINC000095358171 426367612 /nfs/dbraw/zinc/36/76/12/426367612.db2.gz JWNZYFGZXWZGNV-UHFFFAOYSA-N 0 0 316.430 2.717 50 0 DFAARN CC[C@@H](C(=O)NC1CCCCC1)n1ccc2ncccc2c1=O ZINC000095367196 426367622 /nfs/dbraw/zinc/36/76/22/426367622.db2.gz OZXMFJHOUNIOST-INIZCTEOSA-N 0 0 313.401 2.797 50 0 DFAARN Cc1cc(C)nc(CNC(=O)c2cc3cccc(C)c3n2C)n1 ZINC000095368687 426367697 /nfs/dbraw/zinc/36/76/97/426367697.db2.gz OYRWPXCOXHDLMN-UHFFFAOYSA-N 0 0 308.385 2.824 50 0 DFAARN Cc1ncsc1CCc1nc(-c2cn3ccccc3n2)no1 ZINC000095358054 426367804 /nfs/dbraw/zinc/36/78/04/426367804.db2.gz WPCLMKXDMDVOPN-UHFFFAOYSA-N 0 0 311.370 2.934 50 0 DFAARN CN(C)c1nsc(NC[C@@H]2CCOc3ccccc3C2)n1 ZINC000095363165 426368412 /nfs/dbraw/zinc/36/84/12/426368412.db2.gz YHUASUNHYDTKGA-LLVKDONJSA-N 0 0 304.419 2.657 50 0 DFAARN O=C(NC[C@@H]1CCCO1)c1cccc2c1-c1ccccc1C2=O ZINC000096191927 426405855 /nfs/dbraw/zinc/40/58/55/426405855.db2.gz VPXQXXDVDTWSFV-LBPRGKRZSA-N 0 0 307.349 2.807 50 0 DFAARN CCc1noc(C)c1Cn1c2ccccc2nc1NC[C@H](C)O ZINC000122308642 426368737 /nfs/dbraw/zinc/36/87/37/426368737.db2.gz TYHHJKYAQFBXJW-NSHDSACASA-N 0 0 314.389 2.736 50 0 DFAARN C[C@H](Cn1ccnc1)Nc1ncnc2c1cnn2-c1ccccc1 ZINC000095369561 426370020 /nfs/dbraw/zinc/37/00/20/426370020.db2.gz CUDZXCZUNRSHLN-CYBMUJFWSA-N 0 0 319.372 2.513 50 0 DFAARN Cc1ccc([C@H](C(=O)NCCCc2ccccn2)N(C)C)cc1 ZINC000095387625 426370360 /nfs/dbraw/zinc/37/03/60/426370360.db2.gz KZMMQWFNNRCXIQ-GOSISDBHSA-N 0 0 311.429 2.742 50 0 DFAARN Cc1nc2ncccc2c(N2CCC(CCn3cccn3)CC2)n1 ZINC000095384249 426370823 /nfs/dbraw/zinc/37/08/23/426370823.db2.gz AYZNYDHNZWRQJS-UHFFFAOYSA-N 0 0 322.416 2.836 50 0 DFAARN CC(C)c1nnsc1Cn1cccc(C(F)(F)F)c1=O ZINC000095380365 426370856 /nfs/dbraw/zinc/37/08/56/426370856.db2.gz KMHYJBVJRZEMHV-UHFFFAOYSA-N 0 0 303.309 2.890 50 0 DFAARN O=C([C@@H](O)c1ccccc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000095426922 426372026 /nfs/dbraw/zinc/37/20/26/426372026.db2.gz WELDWNNMIKLVNG-SFHVURJKSA-N 0 0 311.381 2.832 50 0 DFAARN CCOc1ccc(CNc2cc(S(C)(=O)=O)ccc2F)nc1 ZINC000095417947 426372265 /nfs/dbraw/zinc/37/22/65/426372265.db2.gz SPHPZFJHLHGLHF-UHFFFAOYSA-N 0 0 324.377 2.635 50 0 DFAARN CC[C@H](CC1CC1)NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000095426174 426372276 /nfs/dbraw/zinc/37/22/76/426372276.db2.gz FFVUJRBGQQVOEY-IIAWOOMASA-N 0 0 312.479 2.919 50 0 DFAARN CC(C)n1cc(NC(=O)N(CCCO)Cc2ccccc2)cn1 ZINC000095426838 426372313 /nfs/dbraw/zinc/37/23/13/426372313.db2.gz IIOSZRDPBFFSKI-UHFFFAOYSA-N 0 0 316.405 2.881 50 0 DFAARN CC(C)n1cnnc1CN(C)C[C@@H]1CCOc2ccccc2C1 ZINC000095531433 426373084 /nfs/dbraw/zinc/37/30/84/426373084.db2.gz PVDPLELNSKNEFO-OAHLLOKOSA-N 0 0 314.433 2.932 50 0 DFAARN CCOCC1(CNC(=O)[C@@H](c2ccccc2C)N(C)C)CCC1 ZINC000095503716 426373127 /nfs/dbraw/zinc/37/31/27/426373127.db2.gz CJBNQVAXJKHAPB-QGZVFWFLSA-N 0 0 318.461 2.921 50 0 DFAARN O[C@H](COCc1ccco1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000095438785 426373193 /nfs/dbraw/zinc/37/31/93/426373193.db2.gz CCCHWWPGYFUNKN-HNNXBMFYSA-N 0 0 316.332 2.860 50 0 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303.333 2.766 50 0 DFAARN CCOc1cc(CNc2ncc(Br)cn2)ccc1O ZINC000067371845 398432183 /nfs/dbraw/zinc/43/21/83/398432183.db2.gz NDDNQGAGFTZIPK-UHFFFAOYSA-N 0 0 324.178 2.956 50 0 DFAARN Cc1cc(-c2ccc(C(=O)N3CCC(F)CC3)cc2)c(=O)[nH]n1 ZINC000584894026 398428900 /nfs/dbraw/zinc/42/89/00/398428900.db2.gz XVOCSVXGYDFXAT-UHFFFAOYSA-N 0 0 315.348 2.732 50 0 DFAARN O=c1c2c(Cl)cccc2ncn1Cc1cncn1C1CC1 ZINC000584895781 398428908 /nfs/dbraw/zinc/42/89/08/398428908.db2.gz SGAXEVIUIFNVBV-UHFFFAOYSA-N 0 0 300.749 2.630 50 0 DFAARN CN(C)C(=O)c1cccc(NCCCOC2CCCCC2)n1 ZINC000584896055 398428976 /nfs/dbraw/zinc/42/89/76/398428976.db2.gz RKFMCOBWRBGDNP-UHFFFAOYSA-N 0 0 305.422 2.935 50 0 DFAARN CN(Cc1cc(-c2ccccc2)on1)C(=O)CCCn1cccn1 ZINC000584893978 398429309 /nfs/dbraw/zinc/42/93/09/398429309.db2.gz YPAYFWNTPLFHPM-UHFFFAOYSA-N 0 0 324.384 2.977 50 0 DFAARN CCn1cncc1CN=[S@](C)(=O)c1ccc(N(C)C)cc1 ZINC000585136036 398434294 /nfs/dbraw/zinc/43/42/94/398434294.db2.gz NKMFRPMBOYDZGI-OAQYLSRUSA-N 0 0 306.435 2.626 50 0 DFAARN C[C@H]1CCc2c(sc3[nH]c(Cc4cnsn4)nc(=O)c23)C1 ZINC000585137400 398434894 /nfs/dbraw/zinc/43/48/94/398434894.db2.gz XKAKGPITPVYYSR-ZETCQYMHSA-N 0 0 318.427 2.964 50 0 DFAARN Cc1nn(C)c(C)c1CNc1ncc(F)cc1Br ZINC000585139142 398435249 /nfs/dbraw/zinc/43/52/49/398435249.db2.gz LVODPQWEKOGLQG-UHFFFAOYSA-N 0 0 313.174 2.946 50 0 DFAARN CC[C@@](O)(c1nc(-c2ccn(C)n2)no1)c1cccc(Cl)c1 ZINC000585136691 398435283 /nfs/dbraw/zinc/43/52/83/398435283.db2.gz PSAVMDTXIBTGQK-HNNXBMFYSA-N 0 0 318.764 2.769 50 0 DFAARN CN(C)C(=O)c1cccc(NC(=O)CSc2ccncc2)c1 ZINC000025541632 398442522 /nfs/dbraw/zinc/44/25/22/398442522.db2.gz JLXLXMMLQUVXQS-UHFFFAOYSA-N 0 0 315.398 2.514 50 0 DFAARN FC(F)(F)c1cnc(NCc2nnc3n2CCC3)c(Cl)c1 ZINC000032590506 190658893 /nfs/dbraw/zinc/65/88/93/190658893.db2.gz UYQQMIXXXOSNSE-UHFFFAOYSA-N 0 0 317.702 2.904 50 0 DFAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(C)CC(=O)NC(C)C ZINC000170078146 197767317 /nfs/dbraw/zinc/76/73/17/197767317.db2.gz PSHKHLSHHURLKR-UHFFFAOYSA-N 0 0 322.792 2.991 50 0 DFAARN CCCOc1cc(C)ccc1CNC(=O)c1snnc1C ZINC000225558530 201730324 /nfs/dbraw/zinc/73/03/24/201730324.db2.gz ZWKKUFWQTDFGJG-UHFFFAOYSA-N 0 0 305.403 2.874 50 0 DFAARN Cc1nnc(Cc2noc(C3(c4ccccc4)CCC3)n2)n1C ZINC000225557784 201730630 /nfs/dbraw/zinc/73/06/30/201730630.db2.gz WYZUSCMYRRAHKD-UHFFFAOYSA-N 0 0 309.373 2.567 50 0 DFAARN CCc1ccnc(CNC(=O)[C@](C)(O)CCc2ccccc2)c1 ZINC000225768091 201743608 /nfs/dbraw/zinc/74/36/08/201743608.db2.gz KEPZEKFMVDTURJ-LJQANCHMSA-N 0 0 312.413 2.644 50 0 DFAARN Cc1nc(C(=O)N(C)C[C@@H]2Cc3ccccc3CO2)cs1 ZINC000225787881 201747797 /nfs/dbraw/zinc/74/77/97/201747797.db2.gz IXMDIVMZDOEGCH-AWEZNQCLSA-N 0 0 302.399 2.665 50 0 DFAARN COc1ccc(Cl)cc1C(=O)NCc1c2c(nn1C)CCC2 ZINC000225817275 201750702 /nfs/dbraw/zinc/75/07/02/201750702.db2.gz BWODCGYACAZUAG-UHFFFAOYSA-N 0 0 319.792 2.501 50 0 DFAARN COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1nc(C)no1 ZINC000057174778 190686515 /nfs/dbraw/zinc/68/65/15/190686515.db2.gz DDMVVOQOBKMUJB-GFCCVEGCSA-N 0 0 301.346 2.835 50 0 DFAARN NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000107351544 185477218 /nfs/dbraw/zinc/47/72/18/185477218.db2.gz JOZUEJGXGBBYFH-OLMNPRSZSA-N 0 0 322.408 2.667 50 0 DFAARN O=C(NCCOc1cccc(Cl)c1)c1c[nH]nc1C1CC1 ZINC000170597799 197783417 /nfs/dbraw/zinc/78/34/17/197783417.db2.gz ULUBUCXMSGJFRV-UHFFFAOYSA-N 0 0 305.765 2.749 50 0 DFAARN CCNC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000057774784 190688905 /nfs/dbraw/zinc/68/89/05/190688905.db2.gz LWWYLLHPRIOSPO-UHFFFAOYSA-N 0 0 308.385 2.904 50 0 DFAARN CCn1nc(C)cc1CNC(=O)c1cc2occc2c(OC)c1 ZINC000226745533 201784982 /nfs/dbraw/zinc/78/49/82/201784982.db2.gz RAAGZXCIXKNTBL-UHFFFAOYSA-N 0 0 313.357 2.896 50 0 DFAARN CO[C@H](C)[C@H](C)NC(=O)c1cc(Br)cn1C(C)C ZINC000170604649 197787179 /nfs/dbraw/zinc/78/71/79/197787179.db2.gz BKPJSXHIEHPENV-VHSXEESVSA-N 0 0 317.227 2.985 50 0 DFAARN C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)n1cc(-c2ccccc2)cn1 ZINC000227165520 201794641 /nfs/dbraw/zinc/79/46/41/201794641.db2.gz GHVUJZUNFCRMKF-QLFBSQMISA-N 0 0 313.401 2.747 50 0 DFAARN COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)[O-])cc1 ZINC000083434138 192370573 /nfs/dbraw/zinc/37/05/73/192370573.db2.gz RGTVWKKHWZDFNK-ZWKOTPCHSA-N 0 0 311.381 2.995 50 0 DFAARN CC[C@@H](NCC(=O)N=c1[nH]c2ccccc2[nH]1)c1cccs1 ZINC000067817002 190724732 /nfs/dbraw/zinc/72/47/32/190724732.db2.gz NREDNFCKDBNYSX-LLVKDONJSA-N 0 0 314.414 2.726 50 0 DFAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C(N)=O)c2ccccc2)C1(C)C ZINC000229726362 201847331 /nfs/dbraw/zinc/84/73/31/201847331.db2.gz JSVSGPLUEKKLHM-RBSFLKMASA-N 0 0 300.402 2.568 50 0 DFAARN CC[C@H](C)[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000230214971 201873093 /nfs/dbraw/zinc/87/30/93/201873093.db2.gz HOEZPSLMHLLEJY-HZMBPMFUSA-N 0 0 321.808 2.867 50 0 DFAARN CCSc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cn1 ZINC000068757845 398524139 /nfs/dbraw/zinc/52/41/39/398524139.db2.gz CIJJOGPSKSCERJ-UHFFFAOYSA-N 0 0 317.296 2.583 50 0 DFAARN Clc1ccc([C@@H]2C[C@@H](c3cccnc3)Nc3nnnn32)cc1 ZINC000000221818 282511536 /nfs/dbraw/zinc/51/15/36/282511536.db2.gz BBENOCQMEFGXGW-KBPBESRZSA-N 0 0 312.764 2.868 50 0 DFAARN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000069706039 190806474 /nfs/dbraw/zinc/80/64/74/190806474.db2.gz ISWZYJCRMMFZKF-IRXDYDNUSA-N 0 0 310.401 2.610 50 0 DFAARN Fc1ccc(-c2cnc(CN3CCc4cncnc4C3)o2)cc1 ZINC000069707535 190807598 /nfs/dbraw/zinc/80/75/98/190807598.db2.gz HVXMCOSBVUTVMW-UHFFFAOYSA-N 0 0 310.332 2.829 50 0 DFAARN C[C@H](NC(=O)c1ccoc1)c1nc(COc2ccccc2)no1 ZINC000069847811 190828243 /nfs/dbraw/zinc/82/82/43/190828243.db2.gz SPFOXJGZOUMXAM-NSHDSACASA-N 0 0 313.313 2.733 50 0 DFAARN COC(=O)[C@H]1[C@@H](c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000033801082 398546308 /nfs/dbraw/zinc/54/63/08/398546308.db2.gz UTKGFRQTYAYXFH-ZIAGYGMSSA-N 0 0 305.374 2.953 50 0 DFAARN CCOC(=O)/C(Br)=C\c1ccc([N+](=O)[O-])cc1 ZINC000034742574 398548866 /nfs/dbraw/zinc/54/88/66/398548866.db2.gz PTBCCMHYVZCPKC-JXMROGBWSA-N 0 0 300.108 2.894 50 0 DFAARN Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C1 ZINC000069872401 190831369 /nfs/dbraw/zinc/83/13/69/190831369.db2.gz ZTTDQFHBWMNPDS-BRWVUGGUSA-N 0 0 310.401 2.554 50 0 DFAARN CC(C)(C)c1cnc(CN2C(=O)CN(c3ccccc3)C2=O)o1 ZINC000069873760 190832037 /nfs/dbraw/zinc/83/20/37/190832037.db2.gz KPWZMFNOLUSOFO-UHFFFAOYSA-N 0 0 313.357 2.941 50 0 DFAARN Cn1ccnc1Sc1nc(-c2ccccn2)nc2c1CCC2 ZINC000069895318 190834822 /nfs/dbraw/zinc/83/48/22/190834822.db2.gz QLLGILQTBOLBJB-UHFFFAOYSA-N 0 0 309.398 2.912 50 0 DFAARN COc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c(F)c1 ZINC000069917555 190837785 /nfs/dbraw/zinc/83/77/85/190837785.db2.gz GSGYWXSBNQRSGP-GFCCVEGCSA-N 0 0 303.337 2.508 50 0 DFAARN Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1Cn1cccn1 ZINC000069971015 190845359 /nfs/dbraw/zinc/84/53/59/190845359.db2.gz LFFZCUOAGYNUIM-HNNXBMFYSA-N 0 0 316.405 2.502 50 0 DFAARN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2ccccc2)C1 ZINC000036420504 398552938 /nfs/dbraw/zinc/55/29/38/398552938.db2.gz RYRHBKCRVIVXEY-ZBFHGGJFSA-N 0 0 308.447 2.800 50 0 DFAARN Cc1noc(C)c1CN(C)C(=O)NCc1csc(C2CC2)n1 ZINC000069956350 190843330 /nfs/dbraw/zinc/84/33/30/190843330.db2.gz MOGFMOXQUGMBQT-UHFFFAOYSA-N 0 0 320.418 2.967 50 0 DFAARN Cc1noc([C@H]2CCCCN2C(=O)Nc2ccc(F)nc2)n1 ZINC000286962717 219246371 /nfs/dbraw/zinc/24/63/71/219246371.db2.gz DPTODTBQDHLEEU-LLVKDONJSA-N 0 0 305.313 2.671 50 0 DFAARN Cc1cnn(C[C@H]2CCCN2C(=O)[C@H]2CCc3ccccc32)c1 ZINC000070013799 190848839 /nfs/dbraw/zinc/84/88/39/190848839.db2.gz PCANBFCZDNHWRX-AEFFLSMTSA-N 0 0 309.413 2.913 50 0 DFAARN CCCOc1cccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000070013105 190849377 /nfs/dbraw/zinc/84/93/77/190849377.db2.gz MSEXKPYOEZHBGS-LBPRGKRZSA-N 0 0 321.421 2.900 50 0 DFAARN CCOC(=O)c1c(=O)[nH]c(-c2ccc(C)cc2)nc1SC ZINC000039932654 398560209 /nfs/dbraw/zinc/56/02/09/398560209.db2.gz YQBDINUJMCZOII-UHFFFAOYSA-N 0 0 304.371 2.644 50 0 DFAARN C[C@H](OC/C=C/c1ccccc1)c1nc2ccccc2c(=O)n1N ZINC000039931401 398560719 /nfs/dbraw/zinc/56/07/19/398560719.db2.gz VSVXDKAUVDAXRO-RNVIBTMRSA-N 0 0 321.380 2.901 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ZOSIPSUECTYBME-HUUCEWRRSA-N 0 0 320.824 2.993 50 0 DFAARN Clc1ccccc1-c1nnc(CN2CC(n3cccn3)C2)o1 ZINC000069559609 398575445 /nfs/dbraw/zinc/57/54/45/398575445.db2.gz SLRWZBPGAULWNQ-UHFFFAOYSA-N 0 0 315.764 2.643 50 0 DFAARN CCc1nnc2n1CCN(Cc1cc(-c3cccs3)on1)C2 ZINC000069596535 398577157 /nfs/dbraw/zinc/57/71/57/398577157.db2.gz YOHQOIQTUGYZJX-UHFFFAOYSA-N 0 0 315.402 2.573 50 0 DFAARN CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(C)c(C)c1)C2 ZINC000071185563 190938111 /nfs/dbraw/zinc/93/81/11/190938111.db2.gz IHNLZFZTBBVUGL-HZPDHXFCSA-N 0 0 324.428 2.603 50 0 DFAARN C[C@@H](C(=O)Nc1nccs1)N1c2ccccc2CCCC1=O ZINC000252482444 295794594 /nfs/dbraw/zinc/79/45/94/295794594.db2.gz DFKGXPQUWXAYLI-NSHDSACASA-N 0 0 315.398 2.840 50 0 DFAARN O=C(c1ccc(F)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000071257506 190949262 /nfs/dbraw/zinc/94/92/62/190949262.db2.gz UWAXFSJGYHHFAJ-UHFFFAOYSA-N 0 0 303.255 2.809 50 0 DFAARN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000080595528 192170671 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184098410 /nfs/dbraw/zinc/09/84/10/184098410.db2.gz JPTAERLANORPSB-UHFFFAOYSA-N 0 0 312.360 2.545 50 0 DFAARN CC[C@H](C)C(=O)NCC(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000058278775 184098414 /nfs/dbraw/zinc/09/84/14/184098414.db2.gz TWSPMEVMFREFTG-RYUDHWBXSA-N 0 0 310.825 2.550 50 0 DFAARN COC[C@@H](C)NC(=O)Nc1ccc(Br)cc1C ZINC000058280034 184098726 /nfs/dbraw/zinc/09/87/26/184098726.db2.gz NSPRBRWWKFNOIL-SECBINFHSA-N 0 0 301.184 2.914 50 0 DFAARN Cc1c(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cnn1C ZINC000058281628 184099479 /nfs/dbraw/zinc/09/94/79/184099479.db2.gz YZOOQMIMHAUYMZ-OAHLLOKOSA-N 0 0 301.365 2.715 50 0 DFAARN COc1ccc(OC)c(CCC(=O)Nc2c(C)noc2C)c1 ZINC000058283146 184099647 /nfs/dbraw/zinc/09/96/47/184099647.db2.gz RPOWZLJTDHIIEO-UHFFFAOYSA-N 0 0 304.346 2.880 50 0 DFAARN CC(C)[C@H](C)N(C(=O)c1cccc(N2CCNC2=O)c1)C1CC1 ZINC000058392422 184111623 /nfs/dbraw/zinc/11/16/23/184111623.db2.gz JGVKTAHMOCVIRR-ZDUSSCGKSA-N 0 0 315.417 2.865 50 0 DFAARN Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 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/nfs/dbraw/zinc/90/69/38/425906938.db2.gz AWJLVMYTEJOYRK-UHFFFAOYSA-N 0 0 305.296 2.921 50 0 DFAARN COc1ccc(Nc2ncc(Br)cn2)cc1OC ZINC000067119660 425908643 /nfs/dbraw/zinc/90/86/43/425908643.db2.gz OZFCQPGRDFWBML-UHFFFAOYSA-N 0 0 310.151 3.000 50 0 DFAARN CCOCCCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1 ZINC000067534487 425911005 /nfs/dbraw/zinc/91/10/05/425911005.db2.gz DXMPVJFUZDPZFX-AWEZNQCLSA-N 0 0 308.422 2.742 50 0 DFAARN CC[C@H](NC(=O)COc1cccc(C)c1C)c1ccnn1C ZINC000067489544 425911221 /nfs/dbraw/zinc/91/12/21/425911221.db2.gz XJRCKOKZWWIEHJ-AWEZNQCLSA-N 0 0 301.390 2.683 50 0 DFAARN Brc1cnc(Nc2ccc3c(c2)OCCO3)nc1 ZINC000067119663 425908763 /nfs/dbraw/zinc/90/87/63/425908763.db2.gz PJATXPLETATWGC-UHFFFAOYSA-N 0 0 308.135 2.754 50 0 DFAARN Cc1c(C(=O)NCc2ccco2)nnn1-c1cc(F)ccc1C ZINC000067264009 425909402 /nfs/dbraw/zinc/90/94/02/425909402.db2.gz KITRSBCPUTZPAT-UHFFFAOYSA-N 0 0 314.320 2.546 50 0 DFAARN Cc1ccc(Nc2ncccc2S(=O)(=O)N2CCCC2)cc1 ZINC000067245726 425909542 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425912817 /nfs/dbraw/zinc/91/28/17/425912817.db2.gz RPOIRMOELBPKMV-UHFFFAOYSA-N 0 0 319.368 2.585 50 0 DFAARN Cc1cccc(C(C)C)c1NC(=O)CN(C)CCc1cn[nH]c1 ZINC000067757129 425912878 /nfs/dbraw/zinc/91/28/78/425912878.db2.gz ZXIVCRXRORBULV-UHFFFAOYSA-N 0 0 314.433 2.955 50 0 DFAARN CCCn1ncc(C(=O)NCc2[nH]nc3c2CCCCC3)c1C ZINC000067803692 425913192 /nfs/dbraw/zinc/91/31/92/425913192.db2.gz WVLLWSLMCQGBNU-UHFFFAOYSA-N 0 0 315.421 2.524 50 0 DFAARN C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1cnc2n1CCCC2 ZINC000067805526 425913341 /nfs/dbraw/zinc/91/33/41/425913341.db2.gz IZZBUKODFAGBQN-JTQLQIEISA-N 0 0 321.327 2.904 50 0 DFAARN O=C(c1cc[nH]n1)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000067804008 425913419 /nfs/dbraw/zinc/91/34/19/425913419.db2.gz APYYWPPGTTYPLB-CQSZACIVSA-N 0 0 321.384 2.820 50 0 DFAARN Cc1ccc(Cl)c(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)c1 ZINC000067817086 425913480 /nfs/dbraw/zinc/91/34/80/425913480.db2.gz GFZAJVPKUNTLJK-CYBMUJFWSA-N 0 0 320.820 2.779 50 0 DFAARN CCc1nc(C)c(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)o1 ZINC000067884674 425914289 /nfs/dbraw/zinc/91/42/89/425914289.db2.gz XZAAUEIMBAFKRZ-UHFFFAOYSA-N 0 0 304.394 2.838 50 0 DFAARN CC(C)c1nc(CN(C)C(=O)/C=C/c2cnn(C)c2)cs1 ZINC000067880272 425914338 /nfs/dbraw/zinc/91/43/38/425914338.db2.gz VRWGMWHWKDCNFR-AATRIKPKSA-N 0 0 304.419 2.672 50 0 DFAARN COc1c(F)cccc1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067921469 425914796 /nfs/dbraw/zinc/91/47/96/425914796.db2.gz AARIVHIACHFMPZ-NSHDSACASA-N 0 0 303.337 2.577 50 0 DFAARN OCCOc1ccccc1-c1nccn1-c1ccc2c(c1)OCO2 ZINC000067935145 425914811 /nfs/dbraw/zinc/91/48/11/425914811.db2.gz PVTKPNIZQNXLKX-UHFFFAOYSA-N 0 0 324.336 2.639 50 0 DFAARN CC(=O)c1cccc(-n2cnnc2Cn2nc(C)c(C)c2C)c1 ZINC000067855602 425914084 /nfs/dbraw/zinc/91/40/84/425914084.db2.gz REOKCJNLCWBBHF-UHFFFAOYSA-N 0 0 309.373 2.640 50 0 DFAARN CCn1cnnc1CN(C)C(=O)c1scc2c1CCCC2 ZINC000067867087 425914245 /nfs/dbraw/zinc/91/42/45/425914245.db2.gz MNANQABDHHBSNI-UHFFFAOYSA-N 0 0 304.419 2.511 50 0 DFAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(C)C3CC3)C2)c1 ZINC000068103728 425916044 /nfs/dbraw/zinc/91/60/44/425916044.db2.gz OIUGJOMSUDSZCR-CQSZACIVSA-N 0 0 315.417 2.860 50 0 DFAARN O=C(CCc1ccsc1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000068208111 425916744 /nfs/dbraw/zinc/91/67/44/425916744.db2.gz BKBSVVKGNKPCHU-OAHLLOKOSA-N 0 0 314.410 2.602 50 0 DFAARN O=C(Nc1ccc(N2CCCC2)cn1)c1ccc2nccn2c1 ZINC000068265719 425916981 /nfs/dbraw/zinc/91/69/81/425916981.db2.gz GFUAXEYLZDJPEN-UHFFFAOYSA-N 0 0 307.357 2.582 50 0 DFAARN CCc1n[nH]cc1C(=O)NCCSCc1ccccc1C ZINC000097785394 262547048 /nfs/dbraw/zinc/54/70/48/262547048.db2.gz HRRZDESTHNNNSR-UHFFFAOYSA-N 0 0 303.431 2.944 50 0 DFAARN O=C(COc1cccnc1)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000244673612 262548853 /nfs/dbraw/zinc/54/88/53/262548853.db2.gz HSLVBRGKAPKVOH-MRXNPFEDSA-N 0 0 324.380 2.582 50 0 DFAARN CCn1cnnc1C1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000068487960 425918516 /nfs/dbraw/zinc/91/85/16/425918516.db2.gz ZVSXLHMQFVAGKE-UHFFFAOYSA-N 0 0 304.419 2.688 50 0 DFAARN NC(=O)c1cnc(N2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000068661317 425919169 /nfs/dbraw/zinc/91/91/69/425919169.db2.gz CNOBHGOGGBJUGK-ZDUSSCGKSA-N 0 0 302.765 2.570 50 0 DFAARN CCOc1ccc(NC(=O)N[C@@H](C)C(=O)N[C@H](C)CC)cc1C ZINC000068547269 425918846 /nfs/dbraw/zinc/91/88/46/425918846.db2.gz DUUOQJDNQAQATK-OLZOCXBDSA-N 0 0 321.421 2.818 50 0 DFAARN CC(C)Cc1cc(C(=O)NCCSc2ccccn2)n(C)n1 ZINC000102544821 425922269 /nfs/dbraw/zinc/92/22/69/425922269.db2.gz SIJGZDAQRLUSNM-UHFFFAOYSA-N 0 0 318.446 2.536 50 0 DFAARN O=c1onc(-c2cccnc2)n1Cc1ccc(OC(F)F)cc1 ZINC000068919860 425924668 /nfs/dbraw/zinc/92/46/68/425924668.db2.gz WAMMHCYYURNOCG-UHFFFAOYSA-N 0 0 319.267 2.548 50 0 DFAARN CC(C)c1noc(CCNC(=O)Nc2ccc(Cl)nc2)n1 ZINC000069029325 425926643 /nfs/dbraw/zinc/92/66/43/425926643.db2.gz WKLFHGAUBDNMBG-UHFFFAOYSA-N 0 0 309.757 2.606 50 0 DFAARN CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccccc1 ZINC000102739316 425927022 /nfs/dbraw/zinc/92/70/22/425927022.db2.gz SKURYGPOQFMDFY-YUTCNCBUSA-N 0 0 318.369 2.636 50 0 DFAARN CN1CCN(Cc2nnc(-c3ccco3)o2)Cc2ccccc21 ZINC000069090557 425929474 /nfs/dbraw/zinc/92/94/74/425929474.db2.gz NVJRZNBQUQTRAI-UHFFFAOYSA-N 0 0 310.357 2.782 50 0 DFAARN CCOC1CCN(C(=O)NCCCc2cccc(F)c2)CC1 ZINC000069127016 425930307 /nfs/dbraw/zinc/93/03/07/425930307.db2.gz SAYNILIXYOAGRP-UHFFFAOYSA-N 0 0 308.397 2.969 50 0 DFAARN O=c1nc(NCCCO)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000069191497 425931797 /nfs/dbraw/zinc/93/17/97/425931797.db2.gz HMKSGUBCNCUZNC-UHFFFAOYSA-N 0 0 319.361 2.585 50 0 DFAARN O=C(NCc1cc[nH]n1)N1CCC(c2c[nH]c3ccccc23)CC1 ZINC000069144601 425930800 /nfs/dbraw/zinc/93/08/00/425930800.db2.gz PTUDRMZAKWEMJF-UHFFFAOYSA-N 0 0 323.400 2.980 50 0 DFAARN O=C(CN1CCOCC1)N1Cc2ccccc2-c2ccccc2C1 ZINC000156133055 425932443 /nfs/dbraw/zinc/93/24/43/425932443.db2.gz UEQKENZSFZXYGJ-UHFFFAOYSA-N 0 0 322.408 2.528 50 0 DFAARN O=C(CN1CCCC1=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000156322495 425933480 /nfs/dbraw/zinc/93/34/80/425933480.db2.gz JVTDMXOVUNTYBY-KRWDZBQOSA-N 0 0 314.429 2.623 50 0 DFAARN O=C(Cn1nnc2ccccc21)Nc1ccc2ccccc2n1 ZINC000069324231 425934258 /nfs/dbraw/zinc/93/42/58/425934258.db2.gz MTTSQIDWDCBRKK-UHFFFAOYSA-N 0 0 303.325 2.618 50 0 DFAARN CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1cccnc1 ZINC000069348646 425935410 /nfs/dbraw/zinc/93/54/10/425935410.db2.gz SEPOXHZXSBMBLM-UHFFFAOYSA-N 0 0 322.368 2.618 50 0 DFAARN CCOc1cccc(CNC(=O)Cc2cn3cccc(C)c3n2)c1 ZINC000069350146 425935447 /nfs/dbraw/zinc/93/54/47/425935447.db2.gz KGPIQWKXZJSHPW-UHFFFAOYSA-N 0 0 323.396 2.900 50 0 DFAARN Cc1nc(-c2ccccn2)sc1C(=O)NCc1nccs1 ZINC000069324688 425934864 /nfs/dbraw/zinc/93/48/64/425934864.db2.gz HMPBJGBPQIQJLV-UHFFFAOYSA-N 0 0 316.411 2.900 50 0 DFAARN Cn1cc(-c2nc(CN3CCOc4ccccc43)cs2)cn1 ZINC000069350471 425936217 /nfs/dbraw/zinc/93/62/17/425936217.db2.gz UTUXXNWVXBPJHX-UHFFFAOYSA-N 0 0 312.398 2.943 50 0 DFAARN Cn1cnnc1C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000069328617 425935751 /nfs/dbraw/zinc/93/57/51/425935751.db2.gz ZQVVQDKURJIXFC-QGZVFWFLSA-N 0 0 324.428 2.641 50 0 DFAARN COc1ccc(CC(=O)NC[C@@H]2OCCc3ccccc32)cc1 ZINC000000204263 425545584 /nfs/dbraw/zinc/54/55/84/425545584.db2.gz NKGCPEFGOPNNBG-SFHVURJKSA-N 0 0 311.381 2.668 50 0 DFAARN CCc1cc(C(=O)N2N=C(C3CC3)C[C@]2(O)C(F)F)cs1 ZINC000000204550 425545590 /nfs/dbraw/zinc/54/55/90/425545590.db2.gz MQHBGNBQHOIMHY-AWEZNQCLSA-N 0 0 314.357 2.876 50 0 DFAARN Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)cc1 ZINC000000219161 425546085 /nfs/dbraw/zinc/54/60/85/425546085.db2.gz KTQPVNFEKUSZIS-QGZVFWFLSA-N 0 0 316.445 2.548 50 0 DFAARN CC(C)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000000030401 425530089 /nfs/dbraw/zinc/53/00/89/425530089.db2.gz VIRJJSPXPLQYAN-UHFFFAOYSA-N 0 0 306.225 2.774 50 0 DFAARN O=C(COc1ccc(Cl)cc1Cl)NC[C@@H]1CCCO1 ZINC000000037574 425530223 /nfs/dbraw/zinc/53/02/23/425530223.db2.gz YOEYHZQQFRDZIX-JTQLQIEISA-N 0 0 304.173 2.667 50 0 DFAARN NC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2 ZINC000000034723 425530415 /nfs/dbraw/zinc/53/04/15/425530415.db2.gz DDQXBBYYRVBRLH-MDZDMXLPSA-N 0 0 312.394 2.988 50 0 DFAARN COc1cc(C(=O)N(C)c2ccccc2)cc(OC)c1OC ZINC000000044007 425531715 /nfs/dbraw/zinc/53/17/15/425531715.db2.gz NRALVZBNGKLSOA-UHFFFAOYSA-N 0 0 301.342 2.989 50 0 DFAARN CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000045212 425531828 /nfs/dbraw/zinc/53/18/28/425531828.db2.gz WJAGTMVDTSNXEZ-UHFFFAOYSA-N 0 0 322.364 2.792 50 0 DFAARN Cc1cc(Cl)ccc1S(=O)(=O)n1nnc2ccccc21 ZINC000000053224 425532134 /nfs/dbraw/zinc/53/21/34/425532134.db2.gz ONEQYMSRAHULQQ-UHFFFAOYSA-N 0 0 307.762 2.630 50 0 DFAARN O=C(c1ccc(Br)cc1)n1nnc2ccccc21 ZINC000000064757 425533418 /nfs/dbraw/zinc/53/34/18/425533418.db2.gz HJPNHGVNYCBIIB-UHFFFAOYSA-N 0 0 302.131 2.882 50 0 DFAARN COC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000000090089 425533833 /nfs/dbraw/zinc/53/38/33/425533833.db2.gz GDEPLJPIEIYFCM-UHFFFAOYSA-N 0 0 322.324 2.595 50 0 DFAARN NC(=O)[C@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000000093074 425534121 /nfs/dbraw/zinc/53/41/21/425534121.db2.gz QKYOFOMIKYWCIN-NSHDSACASA-N 0 0 305.378 2.651 50 0 DFAARN COc1cc(C(=O)Nc2cccc(C)n2)cc(OC)c1OC ZINC000000091593 425534693 /nfs/dbraw/zinc/53/46/93/425534693.db2.gz JLPVMFWNHCULHT-UHFFFAOYSA-N 0 0 302.330 2.668 50 0 DFAARN CCC(=O)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(F)cc1 ZINC000000079328 425534833 /nfs/dbraw/zinc/53/48/33/425534833.db2.gz PKXCLKQALCSWGY-LBPRGKRZSA-N 0 0 304.243 2.531 50 0 DFAARN Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000000076399 425535026 /nfs/dbraw/zinc/53/50/26/425535026.db2.gz FWIYWORLNGZARA-UHFFFAOYSA-N 0 0 300.796 2.505 50 0 DFAARN CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(O)c3)CC2=O)cc1 ZINC000000092130 425535083 /nfs/dbraw/zinc/53/50/83/425535083.db2.gz RHZFKMVUBUXSCM-AWEZNQCLSA-N 0 0 324.380 2.946 50 0 DFAARN CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 ZINC000000219869 425546625 /nfs/dbraw/zinc/54/66/25/425546625.db2.gz LXNUIWXGUJLQCS-MRXNPFEDSA-N 0 0 314.429 2.656 50 0 DFAARN COC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000000098511 425535748 /nfs/dbraw/zinc/53/57/48/425535748.db2.gz TWIOLJOWHKKHGX-UHFFFAOYSA-N 0 0 314.366 2.606 50 0 DFAARN COc1ccc(CN2C(=O)CS[C@H]2c2cccnc2)cc1 ZINC000000104085 425535760 /nfs/dbraw/zinc/53/57/60/425535760.db2.gz VEYHKJABWTVRDT-INIZCTEOSA-N 0 0 300.383 2.864 50 0 DFAARN NC(=O)c1cnn2c1nccc2-c1cccc(C(F)(F)F)c1 ZINC000000105275 425536221 /nfs/dbraw/zinc/53/62/21/425536221.db2.gz NISNJNISVXZUQS-UHFFFAOYSA-N 0 0 306.247 2.514 50 0 DFAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1N ZINC000000109471 425536815 /nfs/dbraw/zinc/53/68/15/425536815.db2.gz TWSYQAUFLXYSQV-UHFFFAOYSA-N 0 0 320.370 2.686 50 0 DFAARN Cc1cccc(NCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 ZINC000000110608 425537371 /nfs/dbraw/zinc/53/73/71/425537371.db2.gz DARZMRRLGBYMBO-ZIAGYGMSSA-N 0 0 304.777 2.882 50 0 DFAARN O=C1NC(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C1Cl ZINC000000113805 425537768 /nfs/dbraw/zinc/53/77/68/425537768.db2.gz UNLOYXIUHNDHTO-UHFFFAOYSA-N 0 0 314.728 2.998 50 0 DFAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000125746 425537985 /nfs/dbraw/zinc/53/79/85/425537985.db2.gz NRUURMSRCIDNPI-UHFFFAOYSA-N 0 0 305.355 2.567 50 0 DFAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCSCC2)c(C)c1C ZINC000000140216 425538597 /nfs/dbraw/zinc/53/85/97/425538597.db2.gz PYFQDYUADTYQSD-UHFFFAOYSA-N 0 0 313.488 2.966 50 0 DFAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000128813 425538898 /nfs/dbraw/zinc/53/88/98/425538898.db2.gz IZWJJDAFDSBMNF-UHFFFAOYSA-N 0 0 309.774 2.996 50 0 DFAARN Cc1c(O)ccc(C(=O)Cc2ccc3c(c2)OCCCO3)c1O ZINC000000138880 425538982 /nfs/dbraw/zinc/53/89/82/425538982.db2.gz ASQVFGVNEMRQOR-UHFFFAOYSA-N 0 0 314.337 2.993 50 0 DFAARN Cc1cc(Br)cc(C)c1OCC(=O)NC(C)C ZINC000000131500 425539387 /nfs/dbraw/zinc/53/93/87/425539387.db2.gz TVPONJATVCUBRB-UHFFFAOYSA-N 0 0 300.196 2.969 50 0 DFAARN Cc1cccc(COc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 ZINC000000126581 425539573 /nfs/dbraw/zinc/53/95/73/425539573.db2.gz HELKSTVPOXZUIQ-GOSISDBHSA-N 0 0 310.353 2.629 50 0 DFAARN CCOC(=O)c1csc(Cn2cnc(Cl)c2Cl)n1 ZINC000000161038 425540022 /nfs/dbraw/zinc/54/00/22/425540022.db2.gz DNYYFIVLIFBMGF-UHFFFAOYSA-N 0 0 306.174 2.871 50 0 DFAARN COc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000000162985 425540166 /nfs/dbraw/zinc/54/01/66/425540166.db2.gz HJOZTUGWIJDIEC-UHFFFAOYSA-N 0 0 317.341 2.973 50 0 DFAARN O=C(CSc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000000148017 425540364 /nfs/dbraw/zinc/54/03/64/425540364.db2.gz QLLYJTZWKUZHJX-UHFFFAOYSA-N 0 0 301.367 2.824 50 0 DFAARN CC(C)C(=O)NC(=S)Nc1cccc(Br)c1 ZINC000000150253 425540561 /nfs/dbraw/zinc/54/05/61/425540561.db2.gz ZGMSGQZLTBBYPO-UHFFFAOYSA-N 0 0 301.209 2.918 50 0 DFAARN CC[C@@H](C(=O)OC(C)C)n1cnc2sc(C)c(C)c2c1=O ZINC000000144639 425540857 /nfs/dbraw/zinc/54/08/57/425540857.db2.gz BVYREKZOYKQACN-NSHDSACASA-N 0 0 308.403 2.978 50 0 DFAARN COc1ccc2c(c1OC)C(=O)N(c1cccc(F)c1)C2=O ZINC000000171307 425541797 /nfs/dbraw/zinc/54/17/97/425541797.db2.gz SVJGJRQVPOWFEX-UHFFFAOYSA-N 0 0 301.273 2.644 50 0 DFAARN CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 ZINC000000175706 425541830 /nfs/dbraw/zinc/54/18/30/425541830.db2.gz MVCSYOGBCOWARO-UHFFFAOYSA-N 0 0 308.337 2.602 50 0 DFAARN 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/nfs/dbraw/zinc/67/02/48/428670248.db2.gz DEKNXFMIYZVUQH-GDBMZVCRSA-N 0 0 305.422 2.567 50 0 DFAARN COc1ccc([C@@H](C)NC(=O)N2CCC3(CCO3)CC2)cc1F ZINC000374542938 428695296 /nfs/dbraw/zinc/69/52/96/428695296.db2.gz IHJXGMBVDTUDMH-GFCCVEGCSA-N 0 0 322.380 2.860 50 0 DFAARN O=c1c2c3c(sc2nnn1Cc1ccc(F)cc1)CCCC3 ZINC000001331849 275042979 /nfs/dbraw/zinc/04/29/79/275042979.db2.gz HBMBHCSQWHJHHK-UHFFFAOYSA-N 0 0 315.373 2.919 50 0 DFAARN OCCN1CCOc2ccc(C3=Cc4ccccc4C3)cc2C1 ZINC000015002304 275047341 /nfs/dbraw/zinc/04/73/41/275047341.db2.gz WINWRKPRVTYZKY-UHFFFAOYSA-N 0 0 307.393 2.970 50 0 DFAARN Brc1ccc2c(c1)CN(Cc1ncccn1)CCO2 ZINC000225787420 275371549 /nfs/dbraw/zinc/37/15/49/275371549.db2.gz JRHNWBDQTSQWAI-UHFFFAOYSA-N 0 0 320.190 2.634 50 0 DFAARN Nc1ncc(-c2ccc(C(=O)N3CCCCCCC3)cc2)cn1 ZINC000426419959 429391015 /nfs/dbraw/zinc/39/10/15/429391015.db2.gz ICNKUXGAGSHVTB-UHFFFAOYSA-N 0 0 310.401 3.132 50 0 DFAARN CC1(C)CN(C(=O)c2cnc(N)s2)C[C@@H]1c1ccccc1 ZINC000426505735 429397193 /nfs/dbraw/zinc/39/71/93/429397193.db2.gz IVGWQIVICOGJBR-GFCCVEGCSA-N 0 0 301.415 2.991 50 0 DFAARN Cc1nc(NCc2cnc3ccccc3c2)cc([C@@H]2CCOC2)n1 ZINC000426361159 429384569 /nfs/dbraw/zinc/38/45/69/429384569.db2.gz CSTBKZFIUGXJDG-MRXNPFEDSA-N 0 0 320.396 3.449 50 0 DFAARN O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1cc[nH]n1 ZINC000524735682 429632424 /nfs/dbraw/zinc/63/24/24/429632424.db2.gz RCQQGYRQNWFAME-CQSZACIVSA-N 0 0 314.776 3.483 50 0 DFAARN CCCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000019796403 275968232 /nfs/dbraw/zinc/96/82/32/275968232.db2.gz KSVVYVUQHLJTPA-UHFFFAOYSA-N 0 0 317.370 2.880 50 0 DFAARN CCNc1ccc(Cl)cc1NC(=O)c1ccc(OC)nn1 ZINC000097048571 276271472 /nfs/dbraw/zinc/27/14/72/276271472.db2.gz IPWJPOCKZYFGQE-UHFFFAOYSA-N 0 0 306.753 2.823 50 0 DFAARN CCOC(=O)c1ccc(-n2c(C)nc3ccc(O)cc3c2=O)cc1 ZINC000013687245 276297793 /nfs/dbraw/zinc/29/77/93/276297793.db2.gz PRMZTAFQKXRLFE-UHFFFAOYSA-N 0 0 324.336 2.576 50 0 DFAARN CCc1ccc(N2c3ncccc3S(=O)(=O)N=C2C)cc1 ZINC000065255345 276668800 /nfs/dbraw/zinc/66/88/00/276668800.db2.gz MUQWFTVMDHWIQU-UHFFFAOYSA-N 0 0 301.371 2.903 50 0 DFAARN CCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1)C3 ZINC000020671529 276695746 /nfs/dbraw/zinc/69/57/46/276695746.db2.gz JPKRBSLZQBIWCR-GFCCVEGCSA-N 0 0 322.368 2.608 50 0 DFAARN CN(C(=O)c1ccn2cnnc2c1)[C@H]1CCCc2ccccc21 ZINC000097637890 276738479 /nfs/dbraw/zinc/73/84/79/276738479.db2.gz WSLPEQNKGMRDRX-INIZCTEOSA-N 0 0 306.369 2.879 50 0 DFAARN O=C(NCCc1ccccc1)NCCn1cc(-c2ccco2)cn1 ZINC000575614798 430085289 /nfs/dbraw/zinc/08/52/89/430085289.db2.gz IHWMVUFUECRDTO-UHFFFAOYSA-N 0 0 324.384 2.685 50 0 DFAARN O=C(NCc1nccnc1-c1ccoc1)c1ccc2[nH]cnc2c1 ZINC000575619929 430086249 /nfs/dbraw/zinc/08/62/49/430086249.db2.gz HTWGNCFJZHIKHL-UHFFFAOYSA-N 0 0 319.324 2.543 50 0 DFAARN CCOc1ccc([C@@H](C)NC(=O)c2cnc(N)s2)cc1F ZINC000534578256 430161663 /nfs/dbraw/zinc/16/16/63/430161663.db2.gz KZWNIIBVOMWTSZ-MRVPVSSYSA-N 0 0 309.366 2.754 50 0 DFAARN CC(=O)N1CCc2cc(NC(=O)[C@H]3Cc4ccccc4O3)ccc21 ZINC000012984217 277012262 /nfs/dbraw/zinc/01/22/62/277012262.db2.gz BMMHSTSOWQCJST-GOSISDBHSA-N 0 0 322.364 2.538 50 0 DFAARN COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000012820618 277051163 /nfs/dbraw/zinc/05/11/63/277051163.db2.gz IAPUOAOGGAFINA-CQSZACIVSA-N 0 0 304.321 2.501 50 0 DFAARN CN1CCN(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000263639632 277092991 /nfs/dbraw/zinc/09/29/91/277092991.db2.gz BASYVECWEWNRJD-UHFFFAOYSA-N 0 0 322.718 2.533 50 0 DFAARN COC(=O)c1c2c(sc1NC(=O)c1c(C)noc1C)CCC2 ZINC000020294774 277148508 /nfs/dbraw/zinc/14/85/08/277148508.db2.gz RZHNCBHGEFDVMZ-UHFFFAOYSA-N 0 0 320.370 2.881 50 0 DFAARN CN1CC[C@](O)(c2cccs2)[C@H](C(=O)c2cccs2)C1 ZINC000004743747 277184404 /nfs/dbraw/zinc/18/44/04/277184404.db2.gz IZGIMADVKMVTHI-XHDPSFHLSA-N 0 0 307.440 2.832 50 0 DFAARN CN1CCc2ncnc(N3CCC[C@H]3c3cccc(F)c3)c2C1 ZINC000248098374 277189651 /nfs/dbraw/zinc/18/96/51/277189651.db2.gz YYDYXTOSFXPDGH-KRWDZBQOSA-N 0 0 312.392 2.945 50 0 DFAARN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](O)c1ccc(O)cc1O2 ZINC000096345712 277192125 /nfs/dbraw/zinc/19/21/25/277192125.db2.gz VYKHGBVZZFBACX-DYVFJYSZSA-N 0 0 321.373 2.588 50 0 DFAARN CC(C)CC(=O)N1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225482895 277343730 /nfs/dbraw/zinc/34/37/30/277343730.db2.gz JPODUFYYQDTCJM-AWEZNQCLSA-N 0 0 302.374 2.790 50 0 biogenic,in-vitro DFAARN COc1c(C)cnc(Cn2c3ccccc3nc(C)c2=O)c1C ZINC000095376198 277363768 /nfs/dbraw/zinc/36/37/68/277363768.db2.gz YTGNSGDIBFXBHJ-UHFFFAOYSA-N 0 0 309.369 2.774 50 0 DFAARN COC(=O)[C@@H]1Cc2c3ccc(OC)cc3[nH]c2[C@@H](CC(C)C)N1 ZINC000034264800 277371154 /nfs/dbraw/zinc/37/11/54/277371154.db2.gz GFAFAJSUIGSPDS-CVEARBPZSA-N 0 0 316.401 2.951 50 0 DFAARN COC(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000000217013 277449043 /nfs/dbraw/zinc/44/90/43/277449043.db2.gz XSTUNGJHZPJANP-UHFFFAOYSA-N 0 0 311.219 2.795 50 0 DFAARN O[C@@H]1CCOC[C@H]1[C@H]1CCCN1c1ccnc2c(F)cccc12 ZINC000583623053 430413479 /nfs/dbraw/zinc/41/34/79/430413479.db2.gz PADUEDWEBFVURG-YSVLISHTSA-N 0 0 316.376 2.740 50 0 DFAARN CC(C)=C[C@H]1[C@H](C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)C1(C)C ZINC000583623961 430413483 /nfs/dbraw/zinc/41/34/83/430413483.db2.gz IQNHHOGETMVRLT-CAOSSQGBSA-N 0 0 317.433 2.605 50 0 DFAARN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1nc(C2CC2)no1 ZINC000583651141 430415534 /nfs/dbraw/zinc/41/55/34/430415534.db2.gz HWQRKTWTROKBCG-ZIAGYGMSSA-N 0 0 313.357 2.597 50 0 DFAARN Cc1nocc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000583651555 430415572 /nfs/dbraw/zinc/41/55/72/430415572.db2.gz OGYLVSTXPDNRBK-UHFFFAOYSA-N 0 0 308.403 2.759 50 0 DFAARN CC(C)C[C@H](C)OC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC000583651956 430416477 /nfs/dbraw/zinc/41/64/77/430416477.db2.gz VYIUXHFAXLOUBE-RRFJBIMHSA-N 0 0 312.454 2.647 50 0 DFAARN COCc1cc(CNC(=O)Nc2ccncc2F)ccc1F ZINC000097135522 277610659 /nfs/dbraw/zinc/61/06/59/277610659.db2.gz QPNNRNAETRCKGF-UHFFFAOYSA-N 0 0 307.300 2.828 50 0 DFAARN C[C@@H]1CN(S(=O)(=O)c2cccnc2)c2cc(Cl)ccc2O1 ZINC000096428697 277910744 /nfs/dbraw/zinc/91/07/44/277910744.db2.gz RKUPHYGFUMYFPB-SNVBAGLBSA-N 0 0 324.789 2.711 50 0 DFAARN COc1ccc2c(c1)[C@H](C(=O)N1Cc3ccccc3C1)CC(=O)N2 ZINC000091792768 277986000 /nfs/dbraw/zinc/98/60/00/277986000.db2.gz KCIBPSFWDIOBSY-MRXNPFEDSA-N 0 0 322.364 2.663 50 0 DFAARN COc1ccc2c(c1)oc(N)c(-c1nc3ccccc3[nH]1)c2=O ZINC000005020376 277995224 /nfs/dbraw/zinc/99/52/24/277995224.db2.gz OZWDHZZJCBTEAE-UHFFFAOYSA-N 0 0 307.309 2.927 50 0 DFAARN CC(C)c1c(C(=O)N2CCSCC2)cnn1-c1ccccn1 ZINC000053818915 278004580 /nfs/dbraw/zinc/00/45/80/278004580.db2.gz BBFBSBSCAFKHQX-UHFFFAOYSA-N 0 0 316.430 2.580 50 0 DFAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc2nccnc2c1 ZINC000071279160 278119834 /nfs/dbraw/zinc/11/98/34/278119834.db2.gz JHLUEOQQVPDELL-NSHDSACASA-N 0 0 323.356 2.824 50 0 DFAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1cccc2nccnc21 ZINC000071280646 278119859 /nfs/dbraw/zinc/11/98/59/278119859.db2.gz UCLDBSSIPZGRRW-NSHDSACASA-N 0 0 323.356 2.824 50 0 DFAARN CSc1nc(=NN)c2c3c(sc2[nH]1)CO[C@@H](C(C)C)C3 ZINC000000547811 278180547 /nfs/dbraw/zinc/18/05/47/278180547.db2.gz WTTSYJVMQGYYMO-MRVPVSSYSA-N 0 0 310.448 2.796 50 0 DFAARN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc32)c2cccnc2O1 ZINC000158663144 288019820 /nfs/dbraw/zinc/01/98/20/288019820.db2.gz DFCZYAYLEHVBTR-LLVKDONJSA-N 0 0 321.336 2.763 50 0 DFAARN CC1(C)CC(=O)c2cc3c(=O)n(-c4ccccc4)nc-3[nH]c2C1 ZINC000018195399 278187301 /nfs/dbraw/zinc/18/73/01/278187301.db2.gz CRDZWPODISEEHJ-UHFFFAOYSA-N 0 0 307.353 2.869 50 0 DFAARN CC(=O)[C@@H]1[C@H](c2ccccc2F)c2c(C)n[nH]c2C[C@@]1(C)O ZINC000005062072 278232999 /nfs/dbraw/zinc/23/29/99/278232999.db2.gz ZZIPKMGAHIMYOH-BRWVUGGUSA-N 0 0 302.349 2.501 50 0 DFAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(N)=O)cc1 ZINC000014260284 278236569 /nfs/dbraw/zinc/23/65/69/278236569.db2.gz CTBQJBRSQJJMPH-ZDUSSCGKSA-N 0 0 311.385 2.928 50 0 DFAARN C[C@H]1CN(c2ccnc3ccc(Cl)cc32)CCS1(=O)=O ZINC000097142368 278444627 /nfs/dbraw/zinc/44/46/27/278444627.db2.gz WVDOPGWCZGZOCS-JTQLQIEISA-N 0 0 310.806 2.512 50 0 DFAARN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)NC(=O)N1C ZINC000000087149 278488252 /nfs/dbraw/zinc/48/82/52/278488252.db2.gz ZZPCEDGZCIXQQR-CQSZACIVSA-N 0 0 302.374 2.998 50 0 DFAARN Cc1ccc(-c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)cc1 ZINC000000199471 278770077 /nfs/dbraw/zinc/77/00/77/278770077.db2.gz SFLLIWHECBVTCC-PTNGSMBKSA-N 0 0 319.389 2.674 50 0 DFAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C)(C)C3)cc1 ZINC000000202656 278831679 /nfs/dbraw/zinc/83/16/79/278831679.db2.gz LPIHGSMSHGSVKF-KSSFIOAISA-N 0 0 317.385 2.824 50 0 DFAARN CCC[C@@H]1C(=O)NCCN1C(=O)c1cc2cc(F)ccc2s1 ZINC000179385966 278877108 /nfs/dbraw/zinc/87/71/08/278877108.db2.gz FXKUNSDBIBHGJL-GFCCVEGCSA-N 0 0 320.389 2.781 50 0 DFAARN CCN(CC)C(=O)[C@H](C)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000004159804 279077346 /nfs/dbraw/zinc/07/73/46/279077346.db2.gz BDLBNEFRESKIBJ-LBPRGKRZSA-N 0 0 324.380 2.693 50 0 DFAARN Cc1nn(C)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1Cl ZINC000000356077 279188324 /nfs/dbraw/zinc/18/83/24/279188324.db2.gz ZYYDXDLWTGIJKC-UHFFFAOYSA-N 0 0 307.825 2.936 50 0 DFAARN Cn1cc2c(n1)NCCc1cnc(Nc3cccc(F)c3)nc1-2 ZINC000070451298 279357144 /nfs/dbraw/zinc/35/71/44/279357144.db2.gz OOEXWUMCYRNGPD-UHFFFAOYSA-N 0 0 310.336 2.728 50 0 DFAARN CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)[O-])CC1 ZINC000236873972 288154865 /nfs/dbraw/zinc/15/48/65/288154865.db2.gz PEBVSODWSDRFNH-OAHLLOKOSA-N 0 0 312.360 2.508 50 0 DFAARN CC(C)Oc1cccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1 ZINC000101709427 279730361 /nfs/dbraw/zinc/73/03/61/279730361.db2.gz FCTXZQYSSXIFOS-ZDUSSCGKSA-N 0 0 315.369 2.667 50 0 DFAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000065591184 288164732 /nfs/dbraw/zinc/16/47/32/288164732.db2.gz HGLVBRGMEQSDDG-BRWVUGGUSA-N 0 0 314.429 2.697 50 0 DFAARN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCCC1 ZINC000014108457 279894107 /nfs/dbraw/zinc/89/41/07/279894107.db2.gz VFMYVEYFCOADGJ-OAHLLOKOSA-N 0 0 303.406 2.845 50 0 DFAARN 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C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000027975383 425819293 /nfs/dbraw/zinc/81/92/93/425819293.db2.gz ORVKBLKAMMVBLP-MCIONIFRSA-N 0 0 303.402 2.578 50 0 DFAARN Cc1cnc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)s1 ZINC000028228037 425820115 /nfs/dbraw/zinc/82/01/15/425820115.db2.gz MBWSKXLERBUJMP-VIFPVBQESA-N 0 0 306.343 2.586 50 0 DFAARN Cn1cc(Cl)c(C(=O)Nc2cc(-c3ccccc3)[nH]n2)n1 ZINC000028242125 425820659 /nfs/dbraw/zinc/82/06/59/425820659.db2.gz GIAQYEVVDRZKGE-UHFFFAOYSA-N 0 0 301.737 2.716 50 0 DFAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)on1 ZINC000028431030 425820987 /nfs/dbraw/zinc/82/09/87/425820987.db2.gz BSOSZNKPQNAZRI-UHFFFAOYSA-N 0 0 314.341 2.595 50 0 DFAARN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000028295940 425821162 /nfs/dbraw/zinc/82/11/62/425821162.db2.gz BYGJCAXZKIDGKH-FZMZJTMJSA-N 0 0 321.398 2.650 50 0 DFAARN Cc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000028290973 425821180 /nfs/dbraw/zinc/82/11/80/425821180.db2.gz LCICITLMEQFCAY-LJQANCHMSA-N 0 0 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CCOC(=O)c1c(C)[nH]c(CCC(=O)N2CCC(C)CC2)c1C ZINC000035509413 425844179 /nfs/dbraw/zinc/84/41/79/425844179.db2.gz ONMMFPWBHHVLJW-UHFFFAOYSA-N 0 0 320.433 2.999 50 0 DFAARN CCC(=O)N1CCC(C)(C(=O)NCc2ccc(C)cc2)CC1 ZINC000035530777 425844226 /nfs/dbraw/zinc/84/42/26/425844226.db2.gz GMXCXVPVAYLVJA-UHFFFAOYSA-N 0 0 302.418 2.650 50 0 DFAARN COc1ccc(NC(=O)CN2c3ccccc3C(C)(C)C2=O)cc1 ZINC000035398808 425844369 /nfs/dbraw/zinc/84/43/69/425844369.db2.gz DYRFNPIWSHUREX-UHFFFAOYSA-N 0 0 324.380 2.958 50 0 DFAARN Cn1nccc1-c1nnc(NC(=O)c2c(F)cccc2Cl)o1 ZINC000035595002 425844440 /nfs/dbraw/zinc/84/44/40/425844440.db2.gz GCEOHGMFWBFKSM-UHFFFAOYSA-N 0 0 321.699 2.515 50 0 DFAARN Cc1ccc(N2CC[C@@H](C(=O)NCc3ccco3)C2=O)cc1C ZINC000035831420 425844542 /nfs/dbraw/zinc/84/45/42/425844542.db2.gz JAMHROYODHOOAW-INIZCTEOSA-N 0 0 312.369 2.566 50 0 DFAARN O=C(CN1CCc2ccccc2C1)Nc1ccc(Cl)cn1 ZINC000035802400 425844549 /nfs/dbraw/zinc/84/45/49/425844549.db2.gz DQWVBJJWBWNKEX-UHFFFAOYSA-N 0 0 301.777 2.732 50 0 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ZINC000012446584 425728008 /nfs/dbraw/zinc/72/80/08/425728008.db2.gz JIVRMZCEUWDSQE-UHFFFAOYSA-N 0 0 310.357 2.711 50 0 DFAARN O=c1c2c3n(c(=S)[nH]c-2nn1-c1ccccc1)CCCCC3 ZINC000012485387 425728211 /nfs/dbraw/zinc/72/82/11/425728211.db2.gz QUUZUIMRZFXPLL-UHFFFAOYSA-N 0 0 312.398 2.971 50 0 DFAARN Cc1cc(C)n2c(nnc2SCc2nccn2C(F)F)n1 ZINC000012548289 425730438 /nfs/dbraw/zinc/73/04/38/425730438.db2.gz VXVIFXCRMBRONW-UHFFFAOYSA-N 0 0 310.333 2.625 50 0 DFAARN COc1cc(CNc2ncnc3n[nH]cc32)ccc1OC(F)F ZINC000012574094 425730990 /nfs/dbraw/zinc/73/09/90/425730990.db2.gz OJMJJRDDPHAYSE-UHFFFAOYSA-N 0 0 321.287 2.575 50 0 DFAARN O=S(=O)(NNc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000012569151 425731726 /nfs/dbraw/zinc/73/17/26/425731726.db2.gz PIQPAWZRYRDQHF-UHFFFAOYSA-N 0 0 300.742 2.785 50 0 DFAARN O=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCCC1 ZINC000012562942 425731764 /nfs/dbraw/zinc/73/17/64/425731764.db2.gz RRUUENZFEFSKPY-UHFFFAOYSA-N 0 0 304.371 2.658 50 0 DFAARN COc1ccc(-c2cc(CC(=O)NCc3ccncc3)no2)cc1 ZINC000012634125 425732394 /nfs/dbraw/zinc/73/23/94/425732394.db2.gz LHVKCDAWTMWBEZ-UHFFFAOYSA-N 0 0 323.352 2.604 50 0 DFAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)CCc1ccccc1 ZINC000012591263 425732755 /nfs/dbraw/zinc/73/27/55/425732755.db2.gz OPYLTWCTMSRQDN-GASCZTMLSA-N 0 0 303.402 2.952 50 0 DFAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(Cl)cc1N ZINC000012621606 425732948 /nfs/dbraw/zinc/73/29/48/425732948.db2.gz SMYYBLKHPJDPTR-PHIMTYICSA-N 0 0 324.808 2.869 50 0 DFAARN CS(=O)(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000012593106 425733462 /nfs/dbraw/zinc/73/34/62/425733462.db2.gz JGCJFIIQBWISMX-NSHDSACASA-N 0 0 303.374 2.569 50 0 DFAARN Cc1ccc(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c1 ZINC000014140553 425767054 /nfs/dbraw/zinc/76/70/54/425767054.db2.gz RRJVNHWNOCOFQE-UHFFFAOYSA-N 0 0 312.413 2.858 50 0 DFAARN C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@@H]4CCOC4=O)cc3c2C1 ZINC000014139561 425767260 /nfs/dbraw/zinc/76/72/60/425767260.db2.gz GLYHLHPMYGKKMH-MGPLVRAMSA-N 0 0 313.353 2.765 50 0 DFAARN CSc1cccc(NC(=O)C(=O)c2c(C)nn(C)c2C)c1 ZINC000014166678 425767761 /nfs/dbraw/zinc/76/77/61/425767761.db2.gz LHFOIEMUSBNRMS-UHFFFAOYSA-N 0 0 303.387 2.580 50 0 DFAARN O=c1c(Cl)c(Cl)cnn1CN1CCc2ccccc2C1 ZINC000014138044 425767894 /nfs/dbraw/zinc/76/78/94/425767894.db2.gz KJBBRGPGWWRXMW-UHFFFAOYSA-N 0 0 310.184 2.566 50 0 DFAARN O=C(NC1=NCCS1)c1cccc(OCc2cscn2)c1 ZINC000014121806 425768109 /nfs/dbraw/zinc/76/81/09/425768109.db2.gz KULSUZJUGNNNBQ-UHFFFAOYSA-N 0 0 319.411 2.555 50 0 DFAARN CC(C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000014134942 425768226 /nfs/dbraw/zinc/76/82/26/425768226.db2.gz MQDUPZWFCZCSJZ-UHFFFAOYSA-N 0 0 313.401 2.651 50 0 DFAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000014231968 425768663 /nfs/dbraw/zinc/76/86/63/425768663.db2.gz XFYRTLNOMXZAIJ-OAHLLOKOSA-N 0 0 318.417 2.950 50 0 DFAARN CCn1nccc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000014239251 425769289 /nfs/dbraw/zinc/76/92/89/425769289.db2.gz MWBGVEGTZDPULY-UHFFFAOYSA-N 0 0 321.446 2.679 50 0 DFAARN CCn1nnnc1SCC(=O)c1cc(C)c(C)c(C)c1C ZINC000014246896 425769323 /nfs/dbraw/zinc/76/93/23/425769323.db2.gz PNZLQSDJOPVTBM-UHFFFAOYSA-N 0 0 304.419 2.902 50 0 DFAARN Cc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1F ZINC000014268171 425770339 /nfs/dbraw/zinc/77/03/39/425770339.db2.gz QQDNEOARUHMURB-UHFFFAOYSA-N 0 0 315.348 2.618 50 0 DFAARN CCCSc1nnc(Sc2ncnc3c2cnn3C)s1 ZINC000014261107 425770726 /nfs/dbraw/zinc/77/07/26/425770726.db2.gz XYBCMURPBFPJAU-UHFFFAOYSA-N 0 0 324.460 2.868 50 0 DFAARN CC1CCC(NC(=O)CCn2cnc3sccc3c2=O)CC1 ZINC000014348022 425771170 /nfs/dbraw/zinc/77/11/70/425771170.db2.gz YEQZKUFZHTUPHW-UHFFFAOYSA-N 0 0 319.430 2.543 50 0 DFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cnc2sccc2c1=O ZINC000014302468 425771775 /nfs/dbraw/zinc/77/17/75/425771775.db2.gz SMLUELYNIWOWPB-YPMHNXCESA-N 0 0 319.430 2.543 50 0 DFAARN O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000014494355 425772158 /nfs/dbraw/zinc/77/21/58/425772158.db2.gz CPHKMWCLCOHHEI-CQSZACIVSA-N 0 0 312.344 2.813 50 0 DFAARN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccncc1 ZINC000014568032 425772420 /nfs/dbraw/zinc/77/24/20/425772420.db2.gz HXEITZOCFUROJN-UHFFFAOYSA-N 0 0 309.369 2.960 50 0 DFAARN COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O ZINC000014503833 425772470 /nfs/dbraw/zinc/77/24/70/425772470.db2.gz JMSFLLZUCIXALN-WEVVVXLNSA-N 0 0 314.337 2.906 50 0 endogenous,in-man DFAARN COc1cccc(CNC(=O)CSc2nccn2C2CC2)c1 ZINC000014805988 425774952 /nfs/dbraw/zinc/77/49/52/425774952.db2.gz HYIRKIBXHKVDFF-UHFFFAOYSA-N 0 0 317.414 2.635 50 0 DFAARN CCc1noc(C)c1C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000014896724 425776201 /nfs/dbraw/zinc/77/62/01/425776201.db2.gz QLXUANWCGQLIJB-UHFFFAOYSA-N 0 0 313.357 2.707 50 0 DFAARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1C ZINC000014944458 425776397 /nfs/dbraw/zinc/77/63/97/425776397.db2.gz ZZQVFQFSPWVZPJ-UHFFFAOYSA-N 0 0 323.805 2.771 50 0 DFAARN COc1ccc(C(=O)NCCOc2ccccc2OC)cc1 ZINC000014869043 425776468 /nfs/dbraw/zinc/77/64/68/425776468.db2.gz FWMFWEZSNZWOII-UHFFFAOYSA-N 0 0 301.342 2.513 50 0 DFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CCCC1 ZINC000014865391 425776859 /nfs/dbraw/zinc/77/68/59/425776859.db2.gz PTBOWXZZDWIWHI-UHFFFAOYSA-N 0 0 310.344 2.942 50 0 DFAARN CC(C)NC(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000015063829 425777909 /nfs/dbraw/zinc/77/79/09/425777909.db2.gz AJJXBDMIPGDIMD-UHFFFAOYSA-N 0 0 311.341 2.940 50 0 DFAARN CCCCCNS(=O)(=O)c1ccccc1Br ZINC000015021355 425778617 /nfs/dbraw/zinc/77/86/17/425778617.db2.gz FQFQJMKWUBSIRQ-UHFFFAOYSA-N 0 0 306.225 2.918 50 0 DFAARN CCc1nnc(SCC(=O)Nc2cccc(SC)c2)n1C ZINC000015019513 425778845 /nfs/dbraw/zinc/77/88/45/425778845.db2.gz NTNYEUNKPWUXBN-UHFFFAOYSA-N 0 0 322.459 2.830 50 0 DFAARN COc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000015014008 425778898 /nfs/dbraw/zinc/77/88/98/425778898.db2.gz SGXCLBHNXCGVBZ-CYBMUJFWSA-N 0 0 312.369 2.554 50 0 DFAARN CCNc1nc2c(s1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000015110122 425779469 /nfs/dbraw/zinc/77/94/69/425779469.db2.gz GXBOCYDTCSDFAR-VIFPVBQESA-N 0 0 317.370 2.778 50 0 DFAARN COC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)s1 ZINC000015193419 425779822 /nfs/dbraw/zinc/77/98/22/425779822.db2.gz ARCXGGSZGXPMHH-UHFFFAOYSA-N 0 0 321.354 2.561 50 0 DFAARN CN(C)C(=O)c1ccc(NC(=O)CNc2cccc(F)c2)cc1 ZINC000015289209 425781525 /nfs/dbraw/zinc/78/15/25/425781525.db2.gz VEWDZGHFWOBNNS-UHFFFAOYSA-N 0 0 315.348 2.578 50 0 DFAARN O=C1NC2(CCCC2)C(=O)N1CCOc1cccc(Cl)c1 ZINC000015281100 425781716 /nfs/dbraw/zinc/78/17/16/425781716.db2.gz YTEPOLLLRSSBMT-UHFFFAOYSA-N 0 0 308.765 2.583 50 0 DFAARN CC(C)(C)NC(=O)NC(=O)CNc1ccc(C(F)(F)F)cc1 ZINC000015291553 425781975 /nfs/dbraw/zinc/78/19/75/425781975.db2.gz BBSSKZJMJNCRPQ-UHFFFAOYSA-N 0 0 317.311 2.742 50 0 DFAARN O=C1c2ccccc2N[C@H](c2ccccn2)N1C[C@H]1CCCO1 ZINC000015502904 425782582 /nfs/dbraw/zinc/78/25/82/425782582.db2.gz MHUKIHWCDILDFC-DYVFJYSZSA-N 0 0 309.369 2.827 50 0 DFAARN CSCc1cccc(CNC(=O)NC2CCC(O)CC2)c1 ZINC000187808755 267876542 /nfs/dbraw/zinc/87/65/42/267876542.db2.gz ZTMAVMIIGDMXBP-UHFFFAOYSA-N 0 0 308.447 2.652 50 0 DFAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000015784626 425783667 /nfs/dbraw/zinc/78/36/67/425783667.db2.gz ZXPOGVMXVGIEGX-HNNXBMFYSA-N 0 0 301.390 2.528 50 0 DFAARN CC(C)c1nnc(S[C@@H](C)C(=O)NCc2ccc(F)cc2)[nH]1 ZINC000016826760 425784633 /nfs/dbraw/zinc/78/46/33/425784633.db2.gz XNFHXNQVPWJKTK-JTQLQIEISA-N 0 0 322.409 2.864 50 0 DFAARN Cc1c(C(=O)NCc2ccccn2)nnn1-c1ccc(C)c(C)c1 ZINC000016622756 425785215 /nfs/dbraw/zinc/78/52/15/425785215.db2.gz VRIULTKWAVCQLX-UHFFFAOYSA-N 0 0 321.384 2.518 50 0 DFAARN O=c1/c(=C\c2cccc(F)c2)sc2nc(-c3ccccc3)nn12 ZINC000016730871 425785468 /nfs/dbraw/zinc/78/54/68/425785468.db2.gz UKMUSQXOJFAGMW-GXDHUFHOSA-N 0 0 323.352 2.505 50 0 DFAARN Cc1cc(C)nc(SCC(=O)NCc2ccc(F)cc2)n1 ZINC000016621959 425786298 /nfs/dbraw/zinc/78/62/98/425786298.db2.gz RDPHVJQDUDOREI-UHFFFAOYSA-N 0 0 305.378 2.641 50 0 DFAARN CC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c(C)n[nH]c2C[C@@]1(C)O ZINC000017248108 425786978 /nfs/dbraw/zinc/78/69/78/425786978.db2.gz NGTLYMQTTVSXRG-GVDBMIGSSA-N 0 0 302.349 2.501 50 0 DFAARN CC(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1 ZINC000019323196 425789548 /nfs/dbraw/zinc/78/95/48/425789548.db2.gz JYSNRCGNHGVFDI-UHFFFAOYSA-N 0 0 300.446 2.827 50 0 DFAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1O ZINC000018212751 425790151 /nfs/dbraw/zinc/79/01/51/425790151.db2.gz RGBXWUPIPVLNBT-UHFFFAOYSA-N 0 0 312.350 2.682 50 0 DFAARN CN1c2ccccc2C(=O)N[C@H]1c1cnn(-c2ccccc2)c1 ZINC000019354048 425790611 /nfs/dbraw/zinc/79/06/11/425790611.db2.gz FMQKCJLQAFXAED-QGZVFWFLSA-N 0 0 304.353 2.751 50 0 DFAARN CCOC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018207613 425790900 /nfs/dbraw/zinc/79/09/00/425790900.db2.gz KVXPPXDWVITJJU-TXEJJXNPSA-N 0 0 306.362 2.504 50 0 DFAARN CC(C)NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531193 425792157 /nfs/dbraw/zinc/79/21/57/425792157.db2.gz QJVBCTMKNFGQCN-GOSISDBHSA-N 0 0 322.408 2.778 50 0 DFAARN CC(C)[C@H](C(=O)NCc1ccco1)N1Cc2ccccc2C1=O ZINC000020531321 425792996 /nfs/dbraw/zinc/79/29/96/425792996.db2.gz ZHDXYXBRUVDTAR-MRXNPFEDSA-N 0 0 312.369 2.576 50 0 DFAARN C[C@H](Oc1ccccc1C(N)=O)C(=O)N1c2ccccc2C[C@H]1C ZINC000021324376 425793671 /nfs/dbraw/zinc/79/36/71/425793671.db2.gz GYNDUMZQDBTMGF-OLZOCXBDSA-N 0 0 324.380 2.531 50 0 DFAARN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCCc2ccccc21 ZINC000021351419 425795311 /nfs/dbraw/zinc/79/53/11/425795311.db2.gz HQXLNGSDTBJMBX-OAHLLOKOSA-N 0 0 312.413 2.757 50 0 DFAARN Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)on1 ZINC000021901900 425796061 /nfs/dbraw/zinc/79/60/61/425796061.db2.gz XJRHOLSYPKYMST-UHFFFAOYSA-N 0 0 321.764 2.725 50 0 DFAARN C[C@@H]1Oc2ccccc2N(CC(=O)OC2CCCCC2)C1=O ZINC000022189520 425796670 /nfs/dbraw/zinc/79/66/70/425796670.db2.gz CGPVPEFFZZHGDS-LBPRGKRZSA-N 0 0 303.358 2.676 50 0 DFAARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000021784282 425797056 /nfs/dbraw/zinc/79/70/56/425797056.db2.gz SKNPVTVAOMEXSL-LLVKDONJSA-N 0 0 315.398 2.583 50 0 DFAARN C[C@H](Sc1nncs1)C(=O)N1CCc2sccc2C1 ZINC000023956349 425798761 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CC[C@@H](C(=O)OC)N(C(=O)c1cc(C)on1)c1ccccc1 ZINC000096409920 426415985 /nfs/dbraw/zinc/41/59/85/426415985.db2.gz KYRZFARUDGKBFF-AWEZNQCLSA-N 0 0 302.330 2.581 50 0 DFAARN Cc1nc(C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)cs1 ZINC000096408968 426416083 /nfs/dbraw/zinc/41/60/83/426416083.db2.gz HECXMYVKGFTZJC-HNNXBMFYSA-N 0 0 320.414 2.702 50 0 DFAARN Cc1ncc(C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)s1 ZINC000096408982 426416226 /nfs/dbraw/zinc/41/62/26/426416226.db2.gz CNXVNKNFGNDCGV-AWEZNQCLSA-N 0 0 320.414 2.702 50 0 DFAARN COc1cc(CNC(=O)C[C@@H]2CCOc3ccccc32)ccn1 ZINC000096409818 426416444 /nfs/dbraw/zinc/41/64/44/426416444.db2.gz HIKNBCKVJSDXRW-AWEZNQCLSA-N 0 0 312.369 2.663 50 0 DFAARN C[C@H](Sc1ncccc1Br)C(=O)NC1CC1 ZINC000096411978 426416698 /nfs/dbraw/zinc/41/66/98/426416698.db2.gz VXGKPFUSTWUYPA-ZETCQYMHSA-N 0 0 301.209 2.603 50 0 DFAARN Cc1cccc(C(C)(C)NC(=O)CCNC(=O)C(C)(C)C)c1 ZINC000096412121 426416786 /nfs/dbraw/zinc/41/67/86/426416786.db2.gz LTGVYIPVKRKHQJ-UHFFFAOYSA-N 0 0 304.434 2.899 50 0 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CCOCCCNC(=O)N[C@H](C)CCc1ccc(OC)cc1 ZINC000062932597 184260476 /nfs/dbraw/zinc/26/04/76/184260476.db2.gz DXMPVJFUZDPZFX-CQSZACIVSA-N 0 0 308.422 2.742 50 0 DFAARN CCOC(=O)CN(CC1CC1)C(=O)CCc1ccc(F)cc1 ZINC000063439320 184281681 /nfs/dbraw/zinc/28/16/81/184281681.db2.gz DTHBCTNOIKROND-UHFFFAOYSA-N 0 0 307.365 2.560 50 0 DFAARN O=C(Nc1n[nH]c(-c2cccs2)n1)[C@@H]1C[C@H]1c1ccco1 ZINC000063467067 184282268 /nfs/dbraw/zinc/28/22/68/184282268.db2.gz YVAFDYITNZOOKT-RKDXNWHRSA-N 0 0 300.343 2.868 50 0 DFAARN COCc1ccc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000064440839 184297040 /nfs/dbraw/zinc/29/70/40/184297040.db2.gz GEWKWFZWQWLPFS-MRXNPFEDSA-N 0 0 315.417 2.874 50 0 DFAARN C[C@@H](NC(=O)c1cn2nc(Cl)ccc2n1)c1ccccc1 ZINC000064542973 184298967 /nfs/dbraw/zinc/29/89/67/184298967.db2.gz PPHKKGHWFHJIOJ-SNVBAGLBSA-N 0 0 300.749 2.874 50 0 DFAARN CCCN1c2ccc(C(=O)N3CCC(C)CC3)cc2CC1=O ZINC000064542777 184299254 /nfs/dbraw/zinc/29/92/54/184299254.db2.gz LHLXMOJGRAMZBD-UHFFFAOYSA-N 0 0 300.402 2.858 50 0 DFAARN Cc1ccc(-c2nc(CCN(C)C(=O)NCC(C)C)no2)cc1 ZINC000064839927 184304136 /nfs/dbraw/zinc/30/41/36/184304136.db2.gz KPASUIJFBFCFPB-UHFFFAOYSA-N 0 0 316.405 2.885 50 0 DFAARN Cc1cc(NC(=O)CN2c3ccc(C)cc3C(C)(C)C2=O)no1 ZINC000064846283 184304686 /nfs/dbraw/zinc/30/46/86/184304686.db2.gz WZTSYXNTNQUULD-UHFFFAOYSA-N 0 0 313.357 2.554 50 0 DFAARN Cc1nc2ccccc2c(=O)n1Cc1noc(-c2ccccc2)n1 ZINC000064867509 184305155 /nfs/dbraw/zinc/30/51/55/184305155.db2.gz CFJHJAYVTGTQLI-UHFFFAOYSA-N 0 0 318.336 2.803 50 0 DFAARN CCn1c2cc(C(=O)Nc3cccc(OC)c3)ccc2oc1=O ZINC000064894217 184305912 /nfs/dbraw/zinc/30/59/12/184305912.db2.gz HIKAQFNFYNZHJB-UHFFFAOYSA-N 0 0 312.325 2.875 50 0 DFAARN O=C(Cc1nnc(Cc2ccccc2F)[nH]1)Nc1ccccc1 ZINC000065232831 184316568 /nfs/dbraw/zinc/31/65/68/184316568.db2.gz CFDJUPVEPAERSX-UHFFFAOYSA-N 0 0 310.332 2.716 50 0 DFAARN Cc1cc(-c2ccc(S(=O)(=O)NCc3cccs3)o2)on1 ZINC000064958479 184306728 /nfs/dbraw/zinc/30/67/28/184306728.db2.gz WEENYBJCULZEIY-UHFFFAOYSA-N 0 0 324.383 2.783 50 0 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DFAARN CCn1ccc2c(cc(C(=O)Nc3ccc(F)cc3)n2C)c1=O ZINC000065118638 184310752 /nfs/dbraw/zinc/31/07/52/184310752.db2.gz PTKJHHBHSOKARV-UHFFFAOYSA-N 0 0 313.332 2.751 50 0 DFAARN Fc1cccc(-n2cc(-c3noc(-c4ccncc4)n3)nn2)c1 ZINC000065236162 184316693 /nfs/dbraw/zinc/31/66/93/184316693.db2.gz YZDLKQWHVFUQSX-UHFFFAOYSA-N 0 0 308.276 2.518 50 0 DFAARN CCn1cc(CCNC(=O)COc2ccccc2)c2cccnc21 ZINC000065163493 184313074 /nfs/dbraw/zinc/31/30/74/184313074.db2.gz MHRXIBUBURDFKP-UHFFFAOYSA-N 0 0 323.396 2.794 50 0 DFAARN O=C(NCC1CC1)c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000065171659 184313612 /nfs/dbraw/zinc/31/36/12/184313612.db2.gz IUFJQHBCEYMXOT-UHFFFAOYSA-N 0 0 322.412 2.884 50 0 DFAARN CC(=O)N1CCc2sc(C(=O)NCc3ccccc3)cc2C1 ZINC000065200843 184314309 /nfs/dbraw/zinc/31/43/09/184314309.db2.gz ZICOZBUAGLYTOP-UHFFFAOYSA-N 0 0 314.410 2.583 50 0 DFAARN CCNC(=O)c1nc(C(=O)NCCC2=CCCCC2)cs1 ZINC000065199571 184314366 /nfs/dbraw/zinc/31/43/66/184314366.db2.gz QNTMWFKJPOVVMA-UHFFFAOYSA-N 0 0 307.419 2.513 50 0 DFAARN Cn1c(C(=O)N2CCCC2)cc2c1CCN(Cc1ccccc1)C2 ZINC000065210859 184314442 /nfs/dbraw/zinc/31/44/42/184314442.db2.gz OQAUOXJHDNTWPJ-UHFFFAOYSA-N 0 0 323.440 2.819 50 0 DFAARN Cc1ccc(NC(=O)Cc2nnc(-c3ccncc3)o2)cc1C ZINC000065214942 184314714 /nfs/dbraw/zinc/31/47/14/184314714.db2.gz KIQGIIDNWCINOW-UHFFFAOYSA-N 0 0 308.341 2.930 50 0 DFAARN Cc1nn2c(CNC(=O)Cc3ccccc3C)c(C)nc2s1 ZINC000065217001 184314908 /nfs/dbraw/zinc/31/49/08/184314908.db2.gz UCDIDDAVBSXQBV-UHFFFAOYSA-N 0 0 314.414 2.575 50 0 DFAARN Fc1ccc(-c2noc(Cn3ccnc3)n2)cc1Br ZINC000065224634 184315592 /nfs/dbraw/zinc/31/55/92/184315592.db2.gz UWPAZNGUJCXXHC-UHFFFAOYSA-N 0 0 323.125 2.883 50 0 DFAARN O=C(Cc1ccc(Cl)cc1)Nc1cnc(N2CCCC2)nc1 ZINC000065224818 184315638 /nfs/dbraw/zinc/31/56/38/184315638.db2.gz INSYLMKTBGXCBM-UHFFFAOYSA-N 0 0 316.792 2.911 50 0 DFAARN COc1ccc(NC(=O)c2cn3c(n2)CSCC3)c(C)c1 ZINC000065231662 184315905 /nfs/dbraw/zinc/31/59/05/184315905.db2.gz QAOOSEUYGDUOES-UHFFFAOYSA-N 0 0 303.387 2.699 50 0 DFAARN Cc1ccc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c(C)c1 ZINC000065232604 184316326 /nfs/dbraw/zinc/31/63/26/184316326.db2.gz KXZVQTARLKAOPL-UHFFFAOYSA-N 0 0 307.357 2.665 50 0 DFAARN O=C(Cc1nnc(-c2ccccc2)[nH]1)Nc1cc(F)ccc1F ZINC000065232547 184316417 /nfs/dbraw/zinc/31/64/17/184316417.db2.gz ZVNKWEMKBGLMLN-UHFFFAOYSA-N 0 0 314.295 2.931 50 0 DFAARN CC(C)[C@@H](C)NC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000065393100 184333721 /nfs/dbraw/zinc/33/37/21/184333721.db2.gz ZCEJYIVESMGJSN-CYBMUJFWSA-N 0 0 315.421 2.663 50 0 DFAARN O=c1[nH]nc(CCc2ccccc2O)n1-c1ccccc1Cl ZINC000065386915 184333750 /nfs/dbraw/zinc/33/37/50/184333750.db2.gz JMLNEONGGFLRDR-UHFFFAOYSA-N 0 0 315.760 2.705 50 0 DFAARN CCc1c(-c2noc(-c3cccnc3)n2)nnn1-c1ccccc1 ZINC000065236558 184317088 /nfs/dbraw/zinc/31/70/88/184317088.db2.gz YDNGFIBUHLSKBR-UHFFFAOYSA-N 0 0 318.340 2.942 50 0 DFAARN Cc1c(-c2noc(-c3ccncc3)n2)nnn1Cc1ccccc1 ZINC000065236456 184317236 /nfs/dbraw/zinc/31/72/36/184317236.db2.gz ICXJZXBIAUWDJX-UHFFFAOYSA-N 0 0 318.340 2.747 50 0 DFAARN COc1ccc(-c2nc(-c3ccc4nncn4c3)no2)cc1F ZINC000065241151 184317542 /nfs/dbraw/zinc/31/75/42/184317542.db2.gz MCCHLSVXLCINKM-UHFFFAOYSA-N 0 0 311.276 2.594 50 0 DFAARN Cc1cccc(OCc2nc(-c3ccc4nnn(C)c4c3)no2)c1 ZINC000065240502 184317590 /nfs/dbraw/zinc/31/75/90/184317590.db2.gz QLWSCPOOAVQCDT-UHFFFAOYSA-N 0 0 321.340 2.906 50 0 DFAARN Cc1nnc2ccc(-c3noc(Cc4cccc(F)c4)n3)cn12 ZINC000065241198 184317696 /nfs/dbraw/zinc/31/76/96/184317696.db2.gz XQQWEBILUDTIIH-UHFFFAOYSA-N 0 0 309.304 2.818 50 0 DFAARN O=C(c1c(F)cccc1F)N1CC[C@H](Nc2cccnc2)C1 ZINC000065267801 184319580 /nfs/dbraw/zinc/31/95/80/184319580.db2.gz NNPOXSGWKCZWHB-LBPRGKRZSA-N 0 0 303.312 2.686 50 0 DFAARN CCCNC(=O)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272853 184320009 /nfs/dbraw/zinc/32/00/09/184320009.db2.gz SLFNIYFXIAAGSO-LBPRGKRZSA-N 0 0 320.458 2.615 50 0 DFAARN CCC(CC)NC(=O)[C@@H]1CCc2sc(C(=O)N(C)C)cc2C1 ZINC000065273180 184320613 /nfs/dbraw/zinc/32/06/13/184320613.db2.gz MXWZVPCLXFWNBS-LLVKDONJSA-N 0 0 322.474 2.860 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CCCc1ncc([C@@H]2CC(=O)Nc3cc(NC(C)=O)ccc32)cn1 ZINC000065410442 184339919 /nfs/dbraw/zinc/33/99/19/184339919.db2.gz LKLYXSSJCINXRH-HNNXBMFYSA-N 0 0 324.384 2.862 50 0 DFAARN CCc1nc(C)c(CN(C)Cc2nnc(-c3ccccc3)o2)[nH]1 ZINC000065419280 184341345 /nfs/dbraw/zinc/34/13/45/184341345.db2.gz RZLPZYCZECYHKA-UHFFFAOYSA-N 0 0 311.389 2.963 50 0 DFAARN CCn1cc(CN(C)C(=O)c2ccc3cccc(F)c3n2)cn1 ZINC000065423015 184342040 /nfs/dbraw/zinc/34/20/40/184342040.db2.gz MRXKXVTXHKQWKD-UHFFFAOYSA-N 0 0 312.348 2.863 50 0 DFAARN CC(C)c1nc2cc(N[C@@H](C)C(=O)N3CCOCC3)ccc2o1 ZINC000065433551 184344053 /nfs/dbraw/zinc/34/40/53/184344053.db2.gz SEEBYYSGQMKLNQ-LBPRGKRZSA-N 0 0 317.389 2.610 50 0 DFAARN CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2[nH]cnc2C)C1 ZINC000065435038 184344614 /nfs/dbraw/zinc/34/46/14/184344614.db2.gz LQUFSJSRWXXDAT-IKGGRYGDSA-N 0 0 313.401 2.686 50 0 DFAARN NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)s1 ZINC000065459334 184348030 /nfs/dbraw/zinc/34/80/30/184348030.db2.gz UVMVAJFZJGUWBE-UHFFFAOYSA-N 0 0 322.817 2.919 50 0 DFAARN Cc1cc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccco2)on1 ZINC000065458998 184348558 /nfs/dbraw/zinc/34/85/58/184348558.db2.gz CSZPVVSVAAAJSY-QWHCGFSZSA-N 0 0 303.362 2.590 50 0 DFAARN Cc1cc(C)n(CCCN(C)Cc2c(C)nn(C)c2Cl)n1 ZINC000065462436 184349043 /nfs/dbraw/zinc/34/90/43/184349043.db2.gz ISNHYTVIRASKGB-UHFFFAOYSA-N 0 0 309.845 2.717 50 0 DFAARN CCn1c(-c2ccc3c(c2)CCO3)nc2cc(C(=O)OC)cnc21 ZINC000065463465 184349753 /nfs/dbraw/zinc/34/97/53/184349753.db2.gz WJSHWYIUWJYBRS-UHFFFAOYSA-N 0 0 323.352 2.840 50 0 DFAARN Cc1cn2c(n1)CC[C@H](NC(=O)Cc1ccc3c(c1)CCCC3)C2 ZINC000065466686 184349996 /nfs/dbraw/zinc/34/99/96/184349996.db2.gz WAMOWELCMYHZSW-SFHVURJKSA-N 0 0 323.440 2.744 50 0 DFAARN Cc1cc(C)c(CNC(=O)c2c[nH]cc2-c2ccccc2)c(=O)[nH]1 ZINC000065479911 184352748 /nfs/dbraw/zinc/35/27/48/184352748.db2.gz YZDVNNCADINNDQ-UHFFFAOYSA-N 0 0 321.380 2.917 50 0 DFAARN COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H](C)C(C)C)C1 ZINC000065491299 184353724 /nfs/dbraw/zinc/35/37/24/184353724.db2.gz 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/nfs/dbraw/zinc/76/90/19/427769019.db2.gz AUBOSWFEDWHRLT-CYBMUJFWSA-N 0 0 314.385 2.743 50 0 DFAARN CCc1oc2c(cccc2NC(=O)NC[C@@H]2COCCO2)c1C ZINC000299776402 427769143 /nfs/dbraw/zinc/76/91/43/427769143.db2.gz BDMUEQHSLYFZRT-GFCCVEGCSA-N 0 0 318.373 2.841 50 0 DFAARN CCCn1cc(NC(=O)N2CCCC[C@H]2c2nccs2)nn1 ZINC000299782033 427769298 /nfs/dbraw/zinc/76/92/98/427769298.db2.gz SBBKRWAOUXPBRA-NSHDSACASA-N 0 0 320.422 2.904 50 0 DFAARN COc1ccccc1N1CCN(Cc2nc(C)c(C)[nH]2)[C@@H](C)C1 ZINC000299781047 427769474 /nfs/dbraw/zinc/76/94/74/427769474.db2.gz UKFSMTCPHZQWTG-ZDUSSCGKSA-N 0 0 314.433 2.746 50 0 DFAARN CCc1cc(C(=O)N[C@@H](C)c2nc(C)sc2C)cc(=O)[nH]1 ZINC000299777288 427769483 /nfs/dbraw/zinc/76/94/83/427769483.db2.gz NHDSBRUQOKLEKZ-QMMMGPOBSA-N 0 0 305.403 2.914 50 0 DFAARN CCc1c(C)nn(CCNC(=O)c2ccc(C(C)=O)s2)c1C ZINC000299786604 427769486 /nfs/dbraw/zinc/76/94/86/427769486.db2.gz WMVHLDLHBHENSC-UHFFFAOYSA-N 0 0 319.430 2.756 50 0 DFAARN O=C(NC[C@H]1CCOC1)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000299796806 427770487 /nfs/dbraw/zinc/77/04/87/427770487.db2.gz PTKUOLBVOQRCKO-LLVKDONJSA-N 0 0 320.780 2.684 50 0 DFAARN C[NH+](C)[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@@H]1CCC(=O)[O-] ZINC000299790446 427770535 /nfs/dbraw/zinc/77/05/35/427770535.db2.gz BQNZQHQRARANRV-GOEBONIOSA-N 0 0 324.852 2.957 50 0 DFAARN COc1cccc(CN2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000340240661 427965114 /nfs/dbraw/zinc/96/51/14/427965114.db2.gz VIPXLOPAMBKGAT-CZUORRHYSA-N 0 0 320.339 2.676 50 0 DFAARN COc1cccc(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000340240659 427965365 /nfs/dbraw/zinc/96/53/65/427965365.db2.gz VIPXLOPAMBKGAT-CJNGLKHVSA-N 0 0 320.339 2.676 50 0 DFAARN COc1ccnc(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340239332 427965923 /nfs/dbraw/zinc/96/59/23/427965923.db2.gz YDCWGRUUYRZLLT-GUYCJALGSA-N 0 0 320.339 2.676 50 0 DFAARN COc1cccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000340240663 427966460 /nfs/dbraw/zinc/96/64/60/427966460.db2.gz VIPXLOPAMBKGAT-XJKSGUPXSA-N 0 0 320.339 2.676 50 0 DFAARN c1sc(N[C@@H]2CCOc3ccccc32)nc1-c1cnccn1 ZINC000376774449 427994709 /nfs/dbraw/zinc/99/47/09/427994709.db2.gz WDURGHMAQNFNAT-GFCCVEGCSA-N 0 0 310.382 3.536 50 0 DFAARN CCc1cnccc1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000347450076 272791704 /nfs/dbraw/zinc/79/17/04/272791704.db2.gz TZBZYMDTGASJBJ-CYBMUJFWSA-N 0 0 312.373 2.534 50 0 DFAARN CN1CCN(c2ncnc3c4cc(Cl)ccc4oc32)CC1 ZINC000002554424 273901509 /nfs/dbraw/zinc/90/15/09/273901509.db2.gz VUWKQWOFKSEXGA-UHFFFAOYSA-N 0 0 302.765 2.781 50 0 DFAARN COCc1n[nH]c([C@H]2CCCCN2C(=O)C2C(C)(C)C2(C)C)n1 ZINC000408200065 428618607 /nfs/dbraw/zinc/61/86/07/428618607.db2.gz ZEWYRATUUBCNPK-LLVKDONJSA-N 0 0 320.437 2.687 50 0 DFAARN COC(=O)c1ccc2c(c1)CN(c1ccc(F)cc1)C(=O)CO2 ZINC000013362927 274005429 /nfs/dbraw/zinc/00/54/29/274005429.db2.gz BIWMUSNCBIMXDE-UHFFFAOYSA-N 0 0 315.300 2.538 50 0 DFAARN C[C@@H](C(=O)N(C)C)N(C)Cc1ccc2cc(Cl)ccc2n1 ZINC000222791244 274190495 /nfs/dbraw/zinc/19/04/95/274190495.db2.gz QEQNRCZGGIZBAK-NSHDSACASA-N 0 0 305.809 2.797 50 0 DFAARN CC(C)[C@@H]1N(c2ccc(S(C)(=O)=O)cn2)CC12CCCC2 ZINC000408456741 428664761 /nfs/dbraw/zinc/66/47/61/428664761.db2.gz KWVDZQUNJPOZLC-HNNXBMFYSA-N 0 0 308.447 2.890 50 0 DFAARN C[C@@H]1CN(C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000019594783 274350118 /nfs/dbraw/zinc/35/01/18/274350118.db2.gz ONKTVYGKKCZWNY-IIDMSEBBSA-N 0 0 315.413 2.689 50 0 DFAARN COC(=O)c1nc(NC[C@H]2CCCO[C@@H]2C(C)C)sc1C ZINC000408514500 428674829 /nfs/dbraw/zinc/67/48/29/428674829.db2.gz CGEPIBJHYYTOPX-DGCLKSJQSA-N 0 0 312.435 3.101 50 0 DFAARN O=C(c1ccncc1Cl)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000348259586 428682051 /nfs/dbraw/zinc/68/20/51/428682051.db2.gz MDBRWBNRKXAIAN-DOMZBBRYSA-N 0 0 320.751 2.822 50 0 DFAARN COc1ccccc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000348260207 428682697 /nfs/dbraw/zinc/68/26/97/428682697.db2.gz NIBUNRRIBLBRAZ-ZBFHGGJFSA-N 0 0 315.344 2.782 50 0 DFAARN Nc1nc(-c2ccncc2)nc(N)c1Cc1ccc(Cl)cc1 ZINC000196306174 274965659 /nfs/dbraw/zinc/96/56/59/274965659.db2.gz QGNFUZFZFDNRQF-UHFFFAOYSA-N 0 0 311.776 2.947 50 0 DFAARN OCCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067654555 275047375 /nfs/dbraw/zinc/04/73/75/275047375.db2.gz INNQHBLIPJZRQA-UHFFFAOYSA-N 0 0 319.788 2.899 50 0 DFAARN Cc1nc(NCCCc2ccc(F)cc2)cc([C@@H]2CCOC2)n1 ZINC000426612288 429404136 /nfs/dbraw/zinc/40/41/36/429404136.db2.gz GCWRTANLBDQMBZ-OAHLLOKOSA-N 0 0 315.392 3.473 50 0 DFAARN CC(C)c1cc(C(=O)Nc2ccon2)nc(N2CCCCC2)n1 ZINC000096101127 275729510 /nfs/dbraw/zinc/72/95/10/275729510.db2.gz MGLBBPCCJOFEFO-UHFFFAOYSA-N 0 0 315.377 2.831 50 0 DFAARN CC(=O)c1c(=O)n(C)c2cccc3c2c1-c1ccccc1C3=O ZINC000000514221 275801763 /nfs/dbraw/zinc/80/17/63/275801763.db2.gz KQMQRGUKSPEQNU-UHFFFAOYSA-N 0 0 303.317 2.953 50 0 DFAARN CCn1c(SC[C@H]2COC(C)(C)O2)nnc1-c1ccco1 ZINC000521393760 429549210 /nfs/dbraw/zinc/54/92/10/429549210.db2.gz CJLLNEDAEPHCFF-SNVBAGLBSA-N 0 0 309.391 2.802 50 0 DFAARN CC(C)n1cnnc1C1CCN(c2ncc(Cl)cn2)CC1 ZINC000096496736 276087618 /nfs/dbraw/zinc/08/76/18/276087618.db2.gz VHZBDCJIHLLWSG-UHFFFAOYSA-N 0 0 306.801 2.686 50 0 DFAARN CCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=S ZINC000000488938 276257252 /nfs/dbraw/zinc/25/72/52/276257252.db2.gz JJOYTUWEDAYUHH-QMTHXVAHSA-N 0 0 313.426 2.993 50 0 DFAARN CCOC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000000183574 276297590 /nfs/dbraw/zinc/29/75/90/276297590.db2.gz LAQLKPKJSAOYQO-UHFFFAOYSA-N 0 0 311.337 2.533 50 0 DFAARN CCN1C(=O)CN(c2ccc(C)cc2)C(=O)[C@@H]1c1ccccc1 ZINC000015413463 276356525 /nfs/dbraw/zinc/35/65/25/276356525.db2.gz BJZXVIIXPNWLSE-SFHVURJKSA-N 0 0 308.381 2.931 50 0 DFAARN CCOc1ccc2ccccc2c1/C=C1/NC(=S)N(C)C1=O ZINC000000368389 276378580 /nfs/dbraw/zinc/37/85/80/276378580.db2.gz DOXQQPOITRFZKP-GXDHUFHOSA-N 0 0 312.394 2.926 50 0 DFAARN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Cc1cc(C)on1 ZINC000088200497 276489027 /nfs/dbraw/zinc/48/90/27/276489027.db2.gz MIJMRMQSOYMDPG-MRXNPFEDSA-N 0 0 313.401 2.783 50 0 DFAARN CCOC(=O)c1cnc2c(OCC)cc(Br)cn12 ZINC000575332166 430079119 /nfs/dbraw/zinc/07/91/19/430079119.db2.gz LRMYJBHRJSBVAM-UHFFFAOYSA-N 0 0 313.151 2.672 50 0 DFAARN CSCC[C@@H](C(=O)NCCc1ccc(O)cc1)n1cccc1 ZINC000575443984 430084330 /nfs/dbraw/zinc/08/43/30/430084330.db2.gz IVOJSYWNFRUUHT-INIZCTEOSA-N 0 0 318.442 2.847 50 0 DFAARN C[C@@H](Cc1csc2ccccc12)NC(=O)N1CCNC1=O ZINC000575620411 430085511 /nfs/dbraw/zinc/08/55/11/430085511.db2.gz KIKWOMSJLHTPQW-JTQLQIEISA-N 0 0 303.387 2.567 50 0 DFAARN CC(=O)OC(C)(C)C(=O)NCc1ccc(-c2cccs2)o1 ZINC000575609184 430085695 /nfs/dbraw/zinc/08/56/95/430085695.db2.gz QQRKZAZQTPHSGF-UHFFFAOYSA-N 0 0 307.371 2.966 50 0 DFAARN CC(C)[C@H](Cn1ccnn1)NC(=O)c1cccc2ccccc21 ZINC000575617513 430085861 /nfs/dbraw/zinc/08/58/61/430085861.db2.gz WGZVUNXBBBUTOD-KRWDZBQOSA-N 0 0 308.385 2.886 50 0 DFAARN Cc1oncc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 ZINC000575609704 430086022 /nfs/dbraw/zinc/08/60/22/430086022.db2.gz DYPDHSQIHJLYOT-LBPRGKRZSA-N 0 0 318.354 2.768 50 0 DFAARN Cc1oncc1CNS(=O)(=O)c1cccc2ccccc21 ZINC000575609045 430086084 /nfs/dbraw/zinc/08/60/84/430086084.db2.gz NKAVBZHXCPWIOE-UHFFFAOYSA-N 0 0 302.355 2.615 50 0 DFAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)[C@H]1CCOC1 ZINC000575609344 430086224 /nfs/dbraw/zinc/08/62/24/430086224.db2.gz WDXCHIHMANKMQD-ZDUSSCGKSA-N 0 0 311.385 2.861 50 0 DFAARN O=C(/C=C/c1ccsc1)NC[C@@H](c1ccco1)n1cccn1 ZINC000575612901 430086510 /nfs/dbraw/zinc/08/65/10/430086510.db2.gz CZAQUCZPLATTEQ-NNTXTVRGSA-N 0 0 313.382 2.957 50 0 DFAARN Cn1cc([C@H]2CN(C(=O)c3ccoc3)Cc3ccccc32)cn1 ZINC000575618286 430086532 /nfs/dbraw/zinc/08/65/32/430086532.db2.gz GIIIGLURDZBCEP-QGZVFWFLSA-N 0 0 307.353 2.801 50 0 DFAARN CCOc1ccc([C@H](C)NC(=O)c2ccc(N)nc2)cc1F ZINC000534640123 430161697 /nfs/dbraw/zinc/16/16/97/430161697.db2.gz BOLRVGRGAATMNP-JTQLQIEISA-N 0 0 303.337 2.693 50 0 DFAARN Cc1cnc(CCNC(=O)N2CC3(CCCC3)[C@H]2C(C)C)nc1 ZINC000562664538 430162249 /nfs/dbraw/zinc/16/22/49/430162249.db2.gz JPPPVVKOWNUQNH-MRXNPFEDSA-N 0 0 316.449 2.938 50 0 DFAARN CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccccc1 ZINC000000363874 277022015 /nfs/dbraw/zinc/02/20/15/277022015.db2.gz KUXMPBKANFLYDP-JTQLQIEISA-N 0 0 311.432 2.978 50 0 DFAARN CN1C(=O)c2ccccc2N[C@H]1c1c[nH]nc1-c1cccnc1 ZINC000011035944 277022050 /nfs/dbraw/zinc/02/20/50/277022050.db2.gz MAAPYIHOOAKREP-MRXNPFEDSA-N 0 0 305.341 2.668 50 0 DFAARN COC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000006179516 277066835 /nfs/dbraw/zinc/06/68/35/277066835.db2.gz NYDMPSKJUHWJAL-VIFPVBQESA-N 0 0 305.277 2.681 50 0 DFAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)cc1 ZINC000000460182 277094412 /nfs/dbraw/zinc/09/44/12/277094412.db2.gz SAKZDPJUMLIXQB-UONOGXRCSA-N 0 0 319.744 2.634 50 0 DFAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000097111759 277203367 /nfs/dbraw/zinc/20/33/67/277203367.db2.gz ORRYMVWZFJSODX-RWMBFGLXSA-N 0 0 320.389 2.655 50 0 DFAARN CN1c2cccnc2Oc2ccc(NC(=O)C3CC3)cc2C1=O ZINC000079484728 277219134 /nfs/dbraw/zinc/21/91/34/277219134.db2.gz LHXLFEYKFUJZND-UHFFFAOYSA-N 0 0 309.325 2.812 50 0 DFAARN COC(=O)C1CCN(c2nc3cc(C)nn3c3ccccc32)CC1 ZINC000007735844 277313598 /nfs/dbraw/zinc/31/35/98/277313598.db2.gz WYPAMGGGHFPLPF-UHFFFAOYSA-N 0 0 324.384 2.580 50 0 DFAARN COc1ccc(C)c2s/c(=N\C(=O)c3ccco3)n(C)c21 ZINC000100823905 277405881 /nfs/dbraw/zinc/40/58/81/277405881.db2.gz FLGQSTFTSAAHSX-NXVVXOECSA-N 0 0 302.355 2.891 50 0 DFAARN COC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000020616572 277448942 /nfs/dbraw/zinc/44/89/42/277448942.db2.gz LLJNGSJHXQIHMF-WCBMZHEXSA-N 0 0 315.251 2.923 50 0 DFAARN Cc1nc2c(s1)CCC[C@H]2CNC(=O)[C@@H]1CC12CCOCC2 ZINC000583623797 430412766 /nfs/dbraw/zinc/41/27/66/430412766.db2.gz JECXBYVMYGMKAD-STQMWFEESA-N 0 0 320.458 2.804 50 0 DFAARN CCN(CC)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000583621850 430413985 /nfs/dbraw/zinc/41/39/85/430413985.db2.gz DCZFFKDJXGCXOL-QWHCGFSZSA-N 0 0 322.409 2.910 50 0 DFAARN Cc1ccnc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000583651348 430414886 /nfs/dbraw/zinc/41/48/86/430414886.db2.gz KJXFTVUCNNXKOJ-UHFFFAOYSA-N 0 0 319.430 2.561 50 0 DFAARN COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccc[nH]2)cc1 ZINC000583615997 430411448 /nfs/dbraw/zinc/41/14/48/430411448.db2.gz ANJHQYVEZQKIDI-FUHWJXTLSA-N 0 0 314.385 2.536 50 0 DFAARN CC(C)[C@@H](CO)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000032507898 277747457 /nfs/dbraw/zinc/74/74/57/277747457.db2.gz QBCQNCNIQUXKHE-ZYHUDNBSSA-N 0 0 306.431 2.772 50 0 DFAARN COc1ccc(-n2cnc(C(=O)Nc3nccs3)c2)cc1 ZINC000226753511 277866565 /nfs/dbraw/zinc/86/65/65/277866565.db2.gz JIHBRVVCFQZBMQ-UHFFFAOYSA-N 0 0 300.343 2.590 50 0 DFAARN COc1ccc(-n2nc3oc4cc(O)ccc4cc-3c2=O)cc1 ZINC000033020966 277866907 /nfs/dbraw/zinc/86/69/07/277866907.db2.gz IYULCEUOMFBFDQ-UHFFFAOYSA-N 0 0 308.293 2.798 50 0 DFAARN COc1ccc(OCCN2C(=O)C(=O)c3cccc(C)c32)cc1 ZINC000006809371 277921698 /nfs/dbraw/zinc/92/16/98/277921698.db2.gz DGAKYICOFKVTSA-UHFFFAOYSA-N 0 0 311.337 2.612 50 0 DFAARN COc1ccc([C@H]2SCC(=O)Nc3n[nH]c(C)c32)cc1O ZINC000044901371 277936521 /nfs/dbraw/zinc/93/65/21/277936521.db2.gz 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425859248 /nfs/dbraw/zinc/85/92/48/425859248.db2.gz BWGWMNBHIJWXPP-UHFFFAOYSA-N 0 0 315.421 2.539 50 0 DFAARN CSc1cccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1 ZINC000044973564 425859333 /nfs/dbraw/zinc/85/93/33/425859333.db2.gz PCIRJRVUVKTDQL-JTQLQIEISA-N 0 0 304.371 2.759 50 0 DFAARN COC(=O)C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000044980157 425859396 /nfs/dbraw/zinc/85/93/96/425859396.db2.gz ROEOBCLPFXPFGX-HIFRSBDPSA-N 0 0 305.349 2.902 50 0 DFAARN Cc1nc(CNC(=O)Nc2ccc(N3CCCC3)nc2)cs1 ZINC000045325786 425860625 /nfs/dbraw/zinc/86/06/25/425860625.db2.gz ZWBVGBHEUUUPNL-UHFFFAOYSA-N 0 0 317.418 2.768 50 0 DFAARN Cc1nc(CNC(=O)N2CCC[C@H]2c2ccncc2)cs1 ZINC000045342187 425860672 /nfs/dbraw/zinc/86/06/72/425860672.db2.gz DSIAXRBWGREEJS-AWEZNQCLSA-N 0 0 302.403 2.893 50 0 DFAARN Cn1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cc1=O ZINC000045468206 425861446 /nfs/dbraw/zinc/86/14/46/425861446.db2.gz XCXVTGYJYSJBGO-UHFFFAOYSA-N 0 0 300.358 2.563 50 0 DFAARN COC(=O)C[C@H](NC(=O)Cc1cccs1)c1ccccc1 ZINC000045536984 425861489 /nfs/dbraw/zinc/86/14/89/425861489.db2.gz SQMKKYQPNVSEHG-AWEZNQCLSA-N 0 0 303.383 2.711 50 0 DFAARN CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000045682098 425861990 /nfs/dbraw/zinc/86/19/90/425861990.db2.gz SGWIXYJKTATHGJ-OZVIIMIRSA-N 0 0 319.405 2.573 50 0 DFAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccoc1 ZINC000045784179 425862754 /nfs/dbraw/zinc/86/27/54/425862754.db2.gz MVKJLVMULGXQFJ-KRWDZBQOSA-N 0 0 310.353 2.860 50 0 DFAARN O=C(NCc1nnc2n1CCCCC2)NC1CCCCCCC1 ZINC000045860808 425862990 /nfs/dbraw/zinc/86/29/90/425862990.db2.gz NFSREBPLRHGXKH-UHFFFAOYSA-N 0 0 319.453 2.917 50 0 DFAARN CC(C)CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000045971907 425863412 /nfs/dbraw/zinc/86/34/12/425863412.db2.gz OVBZNGKJGJRYON-UHFFFAOYSA-N 0 0 318.377 2.972 50 0 DFAARN Cc1cc2c(cc1NC(=O)Nc1ccccc1)n(C)c(=O)n2C ZINC000046009311 425863658 /nfs/dbraw/zinc/86/36/58/425863658.db2.gz ISGCOXSWDKAAHT-UHFFFAOYSA-N 0 0 310.357 2.829 50 0 DFAARN Cc1csc(NC(=O)Cn2ncc3c2c(C)nn3C(C)C)n1 ZINC000046087551 425863966 /nfs/dbraw/zinc/86/39/66/425863966.db2.gz WGCIOSIAYAXBDX-UHFFFAOYSA-N 0 0 318.406 2.526 50 0 DFAARN CCc1noc([C@@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)n1 ZINC000046087165 425864014 /nfs/dbraw/zinc/86/40/14/425864014.db2.gz DGXKTUYKFWWKGL-CYBMUJFWSA-N 0 0 315.373 2.660 50 0 DFAARN CC[C@@H]1CCCN(C(=O)NCc2cccnc2-n2cccn2)C1 ZINC000046094245 425864198 /nfs/dbraw/zinc/86/41/98/425864198.db2.gz TWVIAZWEBKCTQU-CQSZACIVSA-N 0 0 313.405 2.599 50 0 DFAARN O=C([C@@H]1CC(=O)N(CC2CC2)C1)N1CCC[C@@H]1c1cccs1 ZINC000046149408 425864519 /nfs/dbraw/zinc/86/45/19/425864519.db2.gz KZMQCTRGUUCXOK-ZIAGYGMSSA-N 0 0 318.442 2.670 50 0 DFAARN CC(=O)N[C@H](C(=O)NCCSc1ccc(C)c(C)c1)C(C)C ZINC000026680475 425812582 /nfs/dbraw/zinc/81/25/82/425812582.db2.gz UTNSWQRYEPCGJA-INIZCTEOSA-N 0 0 322.474 2.672 50 0 DFAARN O=C(Nc1ccc2c(c1)CCO2)c1cccnc1N1CCCC1 ZINC000027127523 425815251 /nfs/dbraw/zinc/81/52/51/425815251.db2.gz VARMCWOZIYUTRT-UHFFFAOYSA-N 0 0 309.369 2.869 50 0 DFAARN CCCC(=O)N[C@H](NCc1ccco1)C(Cl)(Cl)Cl ZINC000027024881 425815339 /nfs/dbraw/zinc/81/53/39/425815339.db2.gz SLFKPUFXAQOPMO-JTQLQIEISA-N 0 0 313.612 2.982 50 0 DFAARN CSc1ccc([C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)cc1 ZINC000027160619 425815384 /nfs/dbraw/zinc/81/53/84/425815384.db2.gz FCHAVSGGQVDWTO-NHYWBVRUSA-N 0 0 308.447 2.746 50 0 DFAARN Cc1cccc(OCCN(C)CC(=O)Nc2ccc(O)cc2)c1 ZINC000027374293 425815677 /nfs/dbraw/zinc/81/56/77/425815677.db2.gz CVNDTQHSUBGOIL-UHFFFAOYSA-N 0 0 314.385 2.650 50 0 DFAARN COC(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000027333879 425816323 /nfs/dbraw/zinc/81/63/23/425816323.db2.gz DXKUAFNMRJWUSX-DOMZBBRYSA-N 0 0 304.390 2.851 50 0 DFAARN COc1ccc([C@@H]2SCC(=O)N2Cc2cccnc2)cc1 ZINC000027754699 425818034 /nfs/dbraw/zinc/81/80/34/425818034.db2.gz VAXAJOUNWRXLNR-INIZCTEOSA-N 0 0 300.383 2.864 50 0 DFAARN O=C([O-])CC[NH2+]CC(=O)Nc1cccc(CC2CCCCC2)c1 ZINC000027647194 425818131 /nfs/dbraw/zinc/81/81/31/425818131.db2.gz RIYMGJSULHRONO-UHFFFAOYSA-N 0 0 318.417 2.812 50 0 in-vitro DFAARN Cc1noc(C)c1CSc1ncccc1C(=O)NC1CC1 ZINC000027769528 425818510 /nfs/dbraw/zinc/81/85/10/425818510.db2.gz YWMQIKOIMWXORY-UHFFFAOYSA-N 0 0 303.387 2.871 50 0 DFAARN COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000028025575 425819549 /nfs/dbraw/zinc/81/95/49/425819549.db2.gz NPCIMTUTHIALLW-UHFFFAOYSA-N 0 0 313.288 2.741 50 0 DFAARN COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc21 ZINC000028025639 425819717 /nfs/dbraw/zinc/81/97/17/425819717.db2.gz YCQRBOXKOLNZCM-UHFFFAOYSA-N 0 0 309.325 2.910 50 0 DFAARN O=C(CCc1nc(-c2cccnc2)no1)Oc1cccc(F)c1 ZINC000046418297 425864999 /nfs/dbraw/zinc/86/49/99/425864999.db2.gz JRPFNEWHZHUSTL-UHFFFAOYSA-N 0 0 313.288 2.809 50 0 DFAARN Cc1nnc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)s1 ZINC000028228114 425820360 /nfs/dbraw/zinc/82/03/60/425820360.db2.gz UJPAIEVRQMUEFY-UHFFFAOYSA-N 0 0 323.765 2.590 50 0 DFAARN Cc1nn(C[C@H](C)C(=O)N2CCCC2)c(C)c1Br ZINC000028233392 425820834 /nfs/dbraw/zinc/82/08/34/425820834.db2.gz DYNFVUSRBADIRB-VIFPVBQESA-N 0 0 314.227 2.521 50 0 DFAARN CCOc1ncccc1CNC(=O)N[C@H](C)Cc1ccco1 ZINC000028417652 425820959 /nfs/dbraw/zinc/82/09/59/425820959.db2.gz LJPMRTPWEVZSKB-GFCCVEGCSA-N 0 0 303.362 2.504 50 0 DFAARN CN(C(=O)Cc1csc(NC(=O)C2CC2)n1)c1ccccc1 ZINC000028265812 425820993 /nfs/dbraw/zinc/82/09/93/425820993.db2.gz GLCARFGDIPYQAQ-UHFFFAOYSA-N 0 0 315.398 2.697 50 0 DFAARN O=C(NC[C@@H]1Cc2ccccc2O1)N1CCc2sccc2C1 ZINC000028406786 425821220 /nfs/dbraw/zinc/82/12/20/425821220.db2.gz ROGFVWCKUDGHHK-AWEZNQCLSA-N 0 0 314.410 2.820 50 0 DFAARN Cn1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1=O ZINC000028503973 425821223 /nfs/dbraw/zinc/82/12/23/425821223.db2.gz BFKWEQPGIUVLPQ-UHFFFAOYSA-N 0 0 310.397 2.627 50 0 DFAARN O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000028273918 425821685 /nfs/dbraw/zinc/82/16/85/425821685.db2.gz ROCCZWAGNLMKTQ-CQSZACIVSA-N 0 0 318.417 2.857 50 0 DFAARN COCCCNC(=O)c1cc2cc(Br)ccc2o1 ZINC000028575978 425822479 /nfs/dbraw/zinc/82/24/79/425822479.db2.gz VOWPKGARBRKKAG-UHFFFAOYSA-N 0 0 312.163 2.962 50 0 DFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CC2)nc1 ZINC000028939837 425823286 /nfs/dbraw/zinc/82/32/86/425823286.db2.gz FUFPFHJFKBHOEV-UHFFFAOYSA-N 0 0 317.414 2.871 50 0 DFAARN Cc1ccc(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)o1 ZINC000029079905 425824168 /nfs/dbraw/zinc/82/41/68/425824168.db2.gz RXMBUEFDXUNAJG-HNNXBMFYSA-N 0 0 313.332 2.980 50 0 DFAARN Cc1cnc2c(cccc2S(=O)(=O)NCCCOC(C)C)c1 ZINC000029249690 425825385 /nfs/dbraw/zinc/82/53/85/425825385.db2.gz FOKFQRFJLCHGSK-UHFFFAOYSA-N 0 0 322.430 2.637 50 0 DFAARN Cc1c(C)c(C)c(C(=O)OCCN2CCOC2=O)c(C)c1C ZINC000029280649 425825537 /nfs/dbraw/zinc/82/55/37/425825537.db2.gz LTYAHFPYDLDGJR-UHFFFAOYSA-N 0 0 305.374 2.838 50 0 DFAARN C[C@H](Nc1nccc(C(F)(F)F)n1)c1nnc2ccccn21 ZINC000029429772 425825774 /nfs/dbraw/zinc/82/57/74/425825774.db2.gz ZADLGEULQCMMLP-QMMMGPOBSA-N 0 0 308.267 2.711 50 0 DFAARN CCCCC[C@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000029432563 425826211 /nfs/dbraw/zinc/82/62/11/425826211.db2.gz NYFYSPCCBVHMDU-NSHDSACASA-N 0 0 304.390 2.593 50 0 DFAARN CCc1ccc(CCC(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1 ZINC000029388953 425826432 /nfs/dbraw/zinc/82/64/32/425826432.db2.gz WJTQDHIZRKZZQJ-UHFFFAOYSA-N 0 0 312.295 2.957 50 0 DFAARN C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCCCCC1 ZINC000029462625 425826557 /nfs/dbraw/zinc/82/65/57/425826557.db2.gz OHDYYFMYKFYSLC-AYJWMTRPSA-N 0 0 300.402 2.607 50 0 DFAARN Cc1csc(N2CCN(c3ncnc4ccccc43)CC2)n1 ZINC000029585791 425827148 /nfs/dbraw/zinc/82/71/48/425827148.db2.gz XYAPVGXSLRHXEL-UHFFFAOYSA-N 0 0 311.414 2.721 50 0 DFAARN CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000029567309 425827203 /nfs/dbraw/zinc/82/72/03/425827203.db2.gz QILJNRLUTGCFQY-LLVKDONJSA-N 0 0 316.401 2.639 50 0 DFAARN Fc1ccc([C@H]2CN(Cc3nc(C4CC4)no3)CCO2)cc1 ZINC000029659300 425827661 /nfs/dbraw/zinc/82/76/61/425827661.db2.gz RYTDKUZZNHIIQL-CQSZACIVSA-N 0 0 303.337 2.660 50 0 DFAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nccn1C1CC1 ZINC000029625687 425827885 /nfs/dbraw/zinc/82/78/85/425827885.db2.gz LCOXJPDVQNSWNW-NSHDSACASA-N 0 0 319.434 2.688 50 0 DFAARN COC[C@H](C)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000029602754 425827994 /nfs/dbraw/zinc/82/79/94/425827994.db2.gz ZOICEWZACAQOJN-JTQLQIEISA-N 0 0 322.405 2.951 50 0 DFAARN CCCC[C@H](CC)CNC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC000029710832 425828114 /nfs/dbraw/zinc/82/81/14/425828114.db2.gz GNBDUQQILJMTFM-NSHDSACASA-N 0 0 305.378 2.771 50 0 DFAARN CC(C)CCCNC(=O)NCc1ccc(N2CCCC2)nc1 ZINC000029734970 425828688 /nfs/dbraw/zinc/82/86/88/425828688.db2.gz ZQHGDBJAWSABOU-UHFFFAOYSA-N 0 0 304.438 2.917 50 0 DFAARN O=C(NCc1ccccn1)c1ccc(N2CCCCCC2)nc1 ZINC000029738538 425828960 /nfs/dbraw/zinc/82/89/60/425828960.db2.gz VMPYRPXZEDZGBL-UHFFFAOYSA-N 0 0 310.401 2.787 50 0 DFAARN Cc1cc2cc(NC(=O)c3n[nH]c(=O)c4ccccc43)ccc2[nH]1 ZINC000029879583 425829529 /nfs/dbraw/zinc/82/95/29/425829529.db2.gz HGLQVYDARZFGNS-UHFFFAOYSA-N 0 0 318.336 2.965 50 0 DFAARN C[C@H](NC(=O)Cc1ccccc1F)c1nnc2n1CCCCC2 ZINC000029901643 425829571 /nfs/dbraw/zinc/82/95/71/425829571.db2.gz XUJVHTINJYMBKA-LBPRGKRZSA-N 0 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