smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1O[C@@H](c2ccc(O)cc2)Nc2cc(C(F)(F)F)ccc21 ZINC000054363791 1014178941 /nfs/dbraw/zinc/17/89/41/1014178941.db2.gz BTHXVASKUZHAGW-ZDUSSCGKSA-N 0 0 309.243 3.692 40 0 DHABRN Cc1cc(C)n(Cc2nnc(Nc3cccc(Cl)c3)s2)n1 ZINC000002760339 1014340259 /nfs/dbraw/zinc/34/02/59/1014340259.db2.gz TVUUKPSCOYQJQQ-UHFFFAOYSA-N 0 0 319.821 3.797 40 0 DHABRN Cc1cc(C)cc(OC(=O)C(C(F)(F)F)C(F)(F)F)c1 ZINC000002765445 1014339373 /nfs/dbraw/zinc/33/93/73/1014339373.db2.gz MRGSWDOGSMPGSE-UHFFFAOYSA-N 0 0 300.198 3.950 40 0 DHABRN CCn1cc(-c2nnc(-c3ccc(OC(F)F)cc3)o2)c(C)n1 ZINC000002805180 1014339445 /nfs/dbraw/zinc/33/94/45/1014339445.db2.gz AUPFICHBGVCIGD-UHFFFAOYSA-N 0 0 320.299 3.530 40 0 DHABRN CCN(CC)C(=O)CSCc1cccc(Br)c1 ZINC000126789650 1015499015 /nfs/dbraw/zinc/49/90/15/1015499015.db2.gz WPHAXLRGFQXLKS-UHFFFAOYSA-N 0 0 316.264 3.551 40 0 DHABRN COc1ccccc1/C=C/C(=O)NCCSc1ccccc1 ZINC000008361044 1019276989 /nfs/dbraw/zinc/27/69/89/1019276989.db2.gz TVPCHZWSVFDZAX-VAWYXSNFSA-N 0 0 313.422 3.617 40 0 DHABRN C[C@@H]1C[C@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)CC(C)(C)C1 ZINC000255189407 1019336641 /nfs/dbraw/zinc/33/66/41/1019336641.db2.gz PQDWJCQALFHMLQ-SFYZADRCSA-N 0 0 304.221 3.661 40 0 DHABRN O=C(/C=C/c1ccccc1)NCCSCc1cccs1 ZINC000005245603 1021272758 /nfs/dbraw/zinc/27/27/58/1021272758.db2.gz BEPIOCYJAVSNIO-CMDGGOBGSA-N 0 0 303.452 3.811 40 0 DHABRN O=C1O[C@H](Nc2nc3ccc(F)cc3s2)c2ccccc21 ZINC000013999647 1022013011 /nfs/dbraw/zinc/01/30/11/1022013011.db2.gz SLZHZAZTFRWLOI-ZDUSSCGKSA-N 0 0 300.314 3.717 40 0 DHABRN COc1ccc(OC)c(NC(=S)Nc2ccc(F)c(C)c2)c1 ZINC000071326115 1022149729 /nfs/dbraw/zinc/14/97/29/1022149729.db2.gz LKIMCKBSDCKSNR-UHFFFAOYSA-N 0 0 320.389 3.960 40 0 DHABRN CCOc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1C ZINC000032586238 1022368155 /nfs/dbraw/zinc/36/81/55/1022368155.db2.gz ZOHRIKVZRYOGAT-UHFFFAOYSA-N 0 0 319.426 3.757 40 0 DHABRN Cc1cccc(C)c1NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000102707693 1024538642 /nfs/dbraw/zinc/53/86/42/1024538642.db2.gz GHKXUFYHPCLXAK-UHFFFAOYSA-N 0 0 305.381 3.801 40 0 DHABRN Cc1ccc(N2CCC(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000219848223 1024569854 /nfs/dbraw/zinc/56/98/54/1024569854.db2.gz NWGLMRLICHYOCV-UHFFFAOYSA-N 0 0 322.452 3.570 40 0 DHABRN COc1ccccc1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000007521037 1024655761 /nfs/dbraw/zinc/65/57/61/1024655761.db2.gz HMAVBGJWPLRHOW-UHFFFAOYSA-N 0 0 324.808 3.974 40 0 DHABRN C[C@@H]1C[C@@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)[C@@H](C)C[C@H]1C ZINC000255188728 1026266275 /nfs/dbraw/zinc/26/62/75/1026266275.db2.gz LEILTLAATFEQFY-LURQLKTLSA-N 0 0 304.221 3.517 40 0 DHABRN CC1(C)CC(=O)C2=C(c3ccc(Cl)cc3Cl)NN[C@H]2C1 ZINC000228929556 1035626365 /nfs/dbraw/zinc/62/63/65/1035626365.db2.gz QFJQQOZTBPMASU-WCQYABFASA-N 0 0 311.212 3.675 40 0 DHABRN COc1ccc(N2NC(CC(C)C)(CC(C)C)NC2=S)cc1 ZINC000225349483 201696667 /nfs/dbraw/zinc/69/66/67/201696667.db2.gz IBBCGIVQSNNTNY-UHFFFAOYSA-N 0 0 321.490 3.683 40 0 DHABRN CCC[C@H](C)NC(=S)Nc1ccc(C(=O)OCC)cc1C ZINC000225383151 201699080 /nfs/dbraw/zinc/69/90/80/201699080.db2.gz RCLYZCGVNZYESA-LBPRGKRZSA-N 0 0 308.447 3.647 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H]2Nc3ccc(Cl)cc3[C@H]2C1 ZINC000095635396 185382887 /nfs/dbraw/zinc/38/28/87/185382887.db2.gz NUSSODRBWFEQDM-OCCSQVGLSA-N 0 0 308.809 3.859 40 0 DHABRN CCOC(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000096621143 185384528 /nfs/dbraw/zinc/38/45/28/185384528.db2.gz QWZQHUUHYOFKMP-UHFFFAOYSA-N 0 0 317.772 3.698 40 0 DHABRN COC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1Cl ZINC000096694357 185385712 /nfs/dbraw/zinc/38/57/12/185385712.db2.gz OGDKGPNQXWNCQW-UHFFFAOYSA-N 0 0 317.772 3.996 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H](CSCc2ccccn2)C1 ZINC000079440886 185171845 /nfs/dbraw/zinc/17/18/45/185171845.db2.gz SMVUZOPZDHZCPB-AWEZNQCLSA-N 0 0 322.474 3.962 40 0 DHABRN Cc1ccccc1C(=O)N1CCn2c(-c3cccs3)cnc2C1 ZINC000306133274 231088063 /nfs/dbraw/zinc/08/80/63/231088063.db2.gz MHAWJKSFYHYCJH-UHFFFAOYSA-N 0 0 323.421 3.576 40 0 DHABRN CCN(CC)C(=O)c1c(-c2ccc(Cl)cc2)noc1[C@H](C)O ZINC000225437976 201708150 /nfs/dbraw/zinc/70/81/50/201708150.db2.gz ZDIOLKKKSNUDKQ-JTQLQIEISA-N 0 0 322.792 3.530 40 0 biogenic,in-vitro DHABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccccc1F ZINC000225449693 201711429 /nfs/dbraw/zinc/71/14/29/201711429.db2.gz DYGLYIMKDXHWSK-SFHVURJKSA-N 0 0 313.372 3.571 40 0 DHABRN CC(C)(C)OC(=O)N1CC(Nc2cccc(C(F)(F)F)c2)C1 ZINC000090635726 185307657 /nfs/dbraw/zinc/30/76/57/185307657.db2.gz UDDYWGGZNODNAJ-UHFFFAOYSA-N 0 0 316.323 3.737 40 0 DHABRN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000006852971 190624949 /nfs/dbraw/zinc/62/49/49/190624949.db2.gz CQOSJBKEMYGNBZ-IAQYHMDHSA-N 0 0 304.777 3.584 40 0 DHABRN CCc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000015604646 190640544 /nfs/dbraw/zinc/64/05/44/190640544.db2.gz MQODAQWOLAVFNY-UHFFFAOYSA-N 0 0 305.381 3.746 40 0 DHABRN CCc1ccc(CC(=O)NCCCc2ccccc2OC)cc1 ZINC000225792629 201747432 /nfs/dbraw/zinc/74/74/32/201747432.db2.gz DPVAWEXLOMPLSE-UHFFFAOYSA-N 0 0 311.425 3.549 40 0 DHABRN Cc1ccnc(NC(=S)NC2(c3ccco3)CCCC2)c1 ZINC000225873628 201757502 /nfs/dbraw/zinc/75/75/02/201757502.db2.gz SYJWUTXWMUBOJY-UHFFFAOYSA-N 0 0 301.415 3.739 40 0 DHABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)nc1 ZINC000225895737 201760299 /nfs/dbraw/zinc/76/02/99/201760299.db2.gz XMGCRCZWJTXLQH-UHFFFAOYSA-N 0 0 322.449 3.896 40 0 DHABRN CC(C)c1ccc(CN(C)S(=O)(=O)c2cccs2)cc1 ZINC000069079536 190796606 /nfs/dbraw/zinc/79/66/06/190796606.db2.gz DRJPICZKQGSJQP-UHFFFAOYSA-N 0 0 309.456 3.692 40 0 DHABRN CCCCOC(=O)c1cc(N)c(N2CCCCC2)c(Cl)c1 ZINC000070462197 190898673 /nfs/dbraw/zinc/89/86/73/190898673.db2.gz CRNVYZZIWZEIIE-UHFFFAOYSA-N 0 0 310.825 3.869 40 0 DHABRN Cc1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)c(N)c1 ZINC000070462925 190899816 /nfs/dbraw/zinc/89/98/16/190899816.db2.gz GPRCJLLEQKWFPB-UHFFFAOYSA-N 0 0 318.804 3.865 40 0 DHABRN COC(=O)c1cccc(OCc2ccc(Br)cc2)c1 ZINC000072099899 191035768 /nfs/dbraw/zinc/03/57/68/191035768.db2.gz MWZBDEZGVPHYDA-UHFFFAOYSA-N 0 0 321.170 3.815 40 0 DHABRN CCc1ccc(C(=O)Nc2c(C)cc(-n3cnnc3)cc2C)cc1 ZINC000072228961 191076865 /nfs/dbraw/zinc/07/68/65/191076865.db2.gz CVMYNKXNRDARDO-UHFFFAOYSA-N 0 0 320.396 3.699 40 0 DHABRN NN=c1[nH]c2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 ZINC000072229664 191076946 /nfs/dbraw/zinc/07/69/46/191076946.db2.gz KCNBSALJIPXKIS-UHFFFAOYSA-N 0 0 324.365 3.580 40 0 DHABRN Cc1ccc(C(=O)Nc2c(C)cc(-n3cnnc3)cc2C)cc1C ZINC000072228905 191077158 /nfs/dbraw/zinc/07/71/58/191077158.db2.gz QUUVHSJOBVXKDO-UHFFFAOYSA-N 0 0 320.396 3.753 40 0 DHABRN Cc1nccn1-c1ccccc1CNC(=O)c1cc(C)ccc1C ZINC000143245190 186033527 /nfs/dbraw/zinc/03/35/27/186033527.db2.gz MREBHQPOWWCLTR-UHFFFAOYSA-N 0 0 319.408 3.728 40 0 DHABRN CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(OC)c(C)c1 ZINC000225638618 186285312 /nfs/dbraw/zinc/28/53/12/186285312.db2.gz CEPGKZRUGOJDRY-KRWDZBQOSA-N 0 0 313.397 3.893 40 0 DHABRN CCCO[C@](C)(C(=O)Nc1ccc(OC)c(Cl)c1)C1CC1 ZINC000225674577 186288153 /nfs/dbraw/zinc/28/81/53/186288153.db2.gz BGWJDGGBOVBLFO-INIZCTEOSA-N 0 0 311.809 3.882 40 0 DHABRN COc1ccc(-c2ccc(C[C@H]3CCCN(C(C)=O)C3)cn2)cc1 ZINC000072360762 191131451 /nfs/dbraw/zinc/13/14/51/191131451.db2.gz OUUSEPMKEVSEFH-QGZVFWFLSA-N 0 0 324.424 3.558 40 0 DHABRN CC(=O)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072361760 191132376 /nfs/dbraw/zinc/13/23/76/191132376.db2.gz HHHSKLKCTGEUQJ-HNNXBMFYSA-N 0 0 317.776 3.606 40 0 DHABRN COc1ccccc1-c1cc(CC[C@@H]2CCCN2C(C)=O)ccn1 ZINC000072365801 191135177 /nfs/dbraw/zinc/13/51/77/191135177.db2.gz ACWSIEPQNZGEPH-KRWDZBQOSA-N 0 0 324.424 3.701 40 0 DHABRN CC(=O)N1CCC[C@@H](c2ccc(Cc3ccc(C)cc3)cn2)C1 ZINC000072374147 191139648 /nfs/dbraw/zinc/13/96/48/191139648.db2.gz WHQBMDPBFXJKEG-LJQANCHMSA-N 0 0 308.425 3.707 40 0 DHABRN Cc1ccc(SC[C@@H]2CSc3c4ncnc-4ncn32)cc1 ZINC000072414672 191155049 /nfs/dbraw/zinc/15/50/49/191155049.db2.gz VDGUIMHGKNIOQI-LLVKDONJSA-N 0 0 314.439 3.525 40 0 DHABRN CCN(CC)C(=O)c1sc2nc3cc(C)ccc3cc2c1N ZINC000000422321 180784462 /nfs/dbraw/zinc/78/44/62/180784462.db2.gz MHZVEGDJJBBRNJ-UHFFFAOYSA-N 0 0 313.426 3.822 40 0 DHABRN O=S(=O)(Oc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000001577047 180874566 /nfs/dbraw/zinc/87/45/66/180874566.db2.gz IZYLSSOJIOHVPH-UHFFFAOYSA-N 0 0 303.166 3.761 40 0 DHABRN CC(C)=C[C@H]1[C@@H](C(=O)OCCc2ccc3c(c2)OCO3)C1(C)C ZINC000001711309 180890470 /nfs/dbraw/zinc/89/04/70/180890470.db2.gz XBCLVCWFHKVHDH-YOEHRIQHSA-N 0 0 316.397 3.739 40 0 DHABRN O=C(Cc1cc2cc(Cl)ccc2oc1=O)Nc1ccccc1 ZINC000001715334 180891237 /nfs/dbraw/zinc/89/12/37/180891237.db2.gz RLNSUHVYEBAAFK-UHFFFAOYSA-N 0 0 313.740 3.628 40 0 DHABRN Cc1nn(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl ZINC000002767634 180953997 /nfs/dbraw/zinc/95/39/97/180953997.db2.gz LGNDCQYEHVVIFH-UHFFFAOYSA-N 0 0 317.698 3.653 40 0 DHABRN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCCC1 ZINC000003012424 180976469 /nfs/dbraw/zinc/97/64/69/180976469.db2.gz UTKHSTLMPHNJMB-UHFFFAOYSA-N 0 0 307.459 3.909 40 0 DHABRN O=C1c2ccccc2-c2nc3ccc(Br)cc3nc21 ZINC000003156462 180987209 /nfs/dbraw/zinc/98/72/09/180987209.db2.gz AHBVOWQLKBRAJW-UHFFFAOYSA-N 0 0 311.138 3.604 40 0 DHABRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2CNC(=S)Nc1ccccc1 ZINC000003846326 181049304 /nfs/dbraw/zinc/04/93/04/181049304.db2.gz VTDKMGFGTDCAQQ-LBTNJELSSA-N 0 0 316.470 3.614 40 0 DHABRN COc1cc2occc2c(OC)c1C1=NN[C@H](c2ccccc2)C1 ZINC000003851089 181049880 /nfs/dbraw/zinc/04/98/80/181049880.db2.gz VBXVRYAJXBGWLU-AWEZNQCLSA-N 0 0 322.364 3.889 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000003993890 181060234 /nfs/dbraw/zinc/06/02/34/181060234.db2.gz RMZAYRXUTNJSDZ-OAHLLOKOSA-N 0 0 307.440 3.582 40 0 DHABRN C[C@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]12 ZINC000004353237 181102061 /nfs/dbraw/zinc/10/20/61/181102061.db2.gz KNJHGAIWASQHSB-QSGLGXSPSA-N 0 0 312.365 3.603 40 0 DHABRN CCCCC/C(=C\c1ccccc1)[C@H]1OC[C@H](COC(C)=O)O1 ZINC000004705586 181140524 /nfs/dbraw/zinc/14/05/24/181140524.db2.gz DIVBJTJVOFKRKN-JQTTXECVSA-N 0 0 318.413 3.955 40 0 DHABRN Cc1ccc(Cl)cc1NC(=O)CSc1ccccc1N ZINC000004708517 181140526 /nfs/dbraw/zinc/14/05/26/181140526.db2.gz JITDPFPDSSFJOT-UHFFFAOYSA-N 0 0 306.818 3.961 40 0 DHABRN CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000004783129 181150907 /nfs/dbraw/zinc/15/09/07/181150907.db2.gz PWVLZAWWMIOCEB-BAUWWDCUSA-N 0 0 317.473 3.726 40 0 in-vitro DHABRN CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000004819615 181156543 /nfs/dbraw/zinc/15/65/43/181156543.db2.gz TYGPEXZRJYGQCT-HYVNUMGLSA-N 0 0 315.413 3.858 40 0 DHABRN CCSc1nsc(NC(=O)Nc2ccccc2Cl)n1 ZINC000004898338 181170030 /nfs/dbraw/zinc/17/00/30/181170030.db2.gz KVYLOXFGGCGDNW-UHFFFAOYSA-N 0 0 314.823 3.948 40 0 DHABRN CCc1ccc(NC(=O)C(=O)Nc2cccc3ccccc32)cc1 ZINC000004907813 181171797 /nfs/dbraw/zinc/17/17/97/181171797.db2.gz OFHHEUJSRDVDCK-UHFFFAOYSA-N 0 0 318.376 3.979 40 0 DHABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C ZINC000004932119 181174800 /nfs/dbraw/zinc/17/48/00/181174800.db2.gz XMVJLPRIYBIORE-UHFFFAOYSA-N 0 0 300.333 3.673 40 0 DHABRN Cc1cc(-n2cnnc2)cc2nc(Cc3ccc(Cl)cc3)oc21 ZINC000073639405 191334805 /nfs/dbraw/zinc/33/48/05/191334805.db2.gz SVHMVZXSROHLSW-UHFFFAOYSA-N 0 0 324.771 3.961 40 0 DHABRN CCn1c(CNC(=O)CCc2ccccc2)cc2ccccc21 ZINC000004973461 181182401 /nfs/dbraw/zinc/18/24/01/181182401.db2.gz LLTAVGSWAHDSRA-UHFFFAOYSA-N 0 0 306.409 3.910 40 0 DHABRN CN(Cc1ccccc1)C(=O)CSCc1ccccc1F ZINC000078272030 191841079 /nfs/dbraw/zinc/84/10/79/191841079.db2.gz GLAIGRFFYRRNHM-UHFFFAOYSA-N 0 0 303.402 3.718 40 0 DHABRN O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N(Cc1ccco1)Cc1cccnc1 ZINC000078728040 191920114 /nfs/dbraw/zinc/92/01/14/191920114.db2.gz MWEIOPKUVVZHPT-YXJHDRRASA-N 0 0 310.397 3.640 40 0 DHABRN CC(C)Nc1nc(Nc2cccc(Cl)c2)nc(NC(C)C)n1 ZINC000005255717 181222281 /nfs/dbraw/zinc/22/22/81/181222281.db2.gz DLKFSIYEDLBLSY-UHFFFAOYSA-N 0 0 320.828 3.909 40 0 DHABRN CC(C)c1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 ZINC000005413644 181239840 /nfs/dbraw/zinc/23/98/40/181239840.db2.gz 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/nfs/dbraw/zinc/28/84/74/181288474.db2.gz PMBPAOOWWJLTGA-INIZCTEOSA-N 0 0 306.394 3.686 40 0 DHABRN CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C ZINC000005857864 181290573 /nfs/dbraw/zinc/29/05/73/181290573.db2.gz VMDUABMKBUKKPG-UHFFFAOYSA-N 0 0 312.369 3.988 40 0 investigational DHABRN C[C@H]1C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 ZINC000005882885 181292913 /nfs/dbraw/zinc/29/29/13/181292913.db2.gz NGMGPYNQJAKUED-BODMPHMZSA-N 0 0 323.396 3.607 40 0 DHABRN O=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1N1CCCCC1 ZINC000005946738 181299319 /nfs/dbraw/zinc/29/93/19/181299319.db2.gz CFIVRYCEYBLFRY-LJQANCHMSA-N 0 0 319.408 3.614 40 0 DHABRN Cc1cccc(C)c1NC(=O)COc1cccc2cccnc21 ZINC000006127912 181315061 /nfs/dbraw/zinc/31/50/61/181315061.db2.gz FIDASGXWHZLJFT-UHFFFAOYSA-N 0 0 306.365 3.869 40 0 DHABRN COc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC000006329471 181330191 /nfs/dbraw/zinc/33/01/91/181330191.db2.gz XHJOZHKUHNWZAN-OPQQBVKSSA-N 0 0 310.850 3.824 40 0 DHABRN 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ZINC000020486766 182223761 /nfs/dbraw/zinc/22/37/61/182223761.db2.gz DATGPFGVGNRJTC-UHFFFAOYSA-N 0 0 303.402 3.718 40 0 DHABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000020489984 182224003 /nfs/dbraw/zinc/22/40/03/182224003.db2.gz BQTZOGCRSCDXFP-KRWDZBQOSA-N 0 0 323.436 3.964 40 0 DHABRN COc1ccc(CCC(=O)NC2CCCCCCC2)cc1OC ZINC000020492737 182224381 /nfs/dbraw/zinc/22/43/81/182224381.db2.gz GMNPASCWAXPBNL-UHFFFAOYSA-N 0 0 319.445 3.866 40 0 DHABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 ZINC000020495806 182225474 /nfs/dbraw/zinc/22/54/74/182225474.db2.gz NFGWUPPKWUAVHD-SUMWQHHRSA-N 0 0 301.361 3.861 40 0 DHABRN CCc1c(C)n(Cc2ccccc2)c2nc3ccccc3n2c1=O ZINC000020674453 182243156 /nfs/dbraw/zinc/24/31/56/182243156.db2.gz RMWDKGVJFBTAEX-UHFFFAOYSA-N 0 0 317.392 3.568 40 0 DHABRN CCCCC(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 ZINC000020609939 182238666 /nfs/dbraw/zinc/23/86/66/182238666.db2.gz TZKGMRUSPRNWCS-UHFFFAOYSA-N 0 0 308.385 3.858 40 0 DHABRN Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000021509758 182276413 /nfs/dbraw/zinc/27/64/13/182276413.db2.gz ZOSVBLRTLQAVFJ-UHFFFAOYSA-N 0 0 303.774 3.784 40 0 DHABRN COc1ccc(OC)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000021141458 182266925 /nfs/dbraw/zinc/26/69/25/182266925.db2.gz BTFCFKXOGNXCRG-UHFFFAOYSA-N 0 0 321.760 3.618 40 0 DHABRN CC(C)C(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022051334 182306571 /nfs/dbraw/zinc/30/65/71/182306571.db2.gz OUZOXSZZTRPICC-UHFFFAOYSA-N 0 0 311.381 3.819 40 0 in-vitro DHABRN COc1ccc(-c2nc(Cl)nn2-c2ccc(OC)cc2)cc1 ZINC000022125912 182309990 /nfs/dbraw/zinc/30/99/90/182309990.db2.gz XZYZMFUAFKBHML-UHFFFAOYSA-N 0 0 315.760 3.605 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000022250527 182315604 /nfs/dbraw/zinc/31/56/04/182315604.db2.gz AJVVLAYYWHBJIE-LLVKDONJSA-N 0 0 319.788 3.848 40 0 DHABRN COc1nc2nccc(-c3cccc4ccccc43)c2c(=O)[nH]1 ZINC000022606901 182328079 /nfs/dbraw/zinc/32/80/79/182328079.db2.gz KNVFWSVFXBNSGY-UHFFFAOYSA-N 0 0 303.321 3.559 40 0 DHABRN Cc1ccc(C)c(C(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000022655398 182330133 /nfs/dbraw/zinc/33/01/33/182330133.db2.gz JRMQAGIOMOIZTO-UHFFFAOYSA-N 0 0 303.789 3.766 40 0 DHABRN Cc1cccc(OCCNC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000022500231 182323903 /nfs/dbraw/zinc/32/39/03/182323903.db2.gz ZRUWHNBEVXOPLU-HNNXBMFYSA-N 0 0 315.438 3.671 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)N2CCCCCC2)cc1OC ZINC000022525754 182325031 /nfs/dbraw/zinc/32/50/31/182325031.db2.gz GJWOSRDOJVEUGH-CYBMUJFWSA-N 0 0 323.458 3.587 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000022525257 182325107 /nfs/dbraw/zinc/32/51/07/182325107.db2.gz GGVAJBZQIAFWDK-CABCVRRESA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)N2CCCCCC2)cc1OC ZINC000022525750 182325139 /nfs/dbraw/zinc/32/51/39/182325139.db2.gz GJWOSRDOJVEUGH-ZDUSSCGKSA-N 0 0 323.458 3.587 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000022527393 182325250 /nfs/dbraw/zinc/32/52/50/182325250.db2.gz DLNPFGSKPRSOMP-MRXNPFEDSA-N 0 0 321.779 3.953 40 0 DHABRN COc1ccc(SCC(=O)NCCCc2ccccc2)cc1 ZINC000022531643 182325549 /nfs/dbraw/zinc/32/55/49/182325549.db2.gz NPWQTLOORQBPSV-UHFFFAOYSA-N 0 0 315.438 3.536 40 0 DHABRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C)ccc2C)c1 ZINC000024040247 182373041 /nfs/dbraw/zinc/37/30/41/182373041.db2.gz PGUWLKJLILNPDK-UHFFFAOYSA-N 0 0 317.772 3.996 40 0 DHABRN O=C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Cl ZINC000028226749 182513322 /nfs/dbraw/zinc/51/33/22/182513322.db2.gz UNSSUYNRQUZYIA-UHFFFAOYSA-N 0 0 311.772 3.837 40 0 DHABRN Cc1cc(NC(=O)c2ccc(C)s2)n(-c2ccc(F)cc2)n1 ZINC000028304864 182519820 /nfs/dbraw/zinc/51/98/20/182519820.db2.gz JKAIBWFWGQPCFY-UHFFFAOYSA-N 0 0 315.373 3.942 40 0 DHABRN O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)[nH]n1 ZINC000028305014 182520120 /nfs/dbraw/zinc/52/01/20/182520120.db2.gz UNCNVURKSXTXLH-UHFFFAOYSA-N 0 0 311.772 3.911 40 0 DHABRN Cc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1C ZINC000036635443 182831938 /nfs/dbraw/zinc/83/19/38/182831938.db2.gz CURBTCZGGRXNBY-SFHVURJKSA-N 0 0 322.408 3.664 40 0 DHABRN CC(C)(C)OC(=O)NCc1ccc(-c2ccnc(Cl)n2)cc1 ZINC000038580020 183003227 /nfs/dbraw/zinc/00/32/27/183003227.db2.gz RTHWBXWSRBKWAJ-UHFFFAOYSA-N 0 0 319.792 3.822 40 0 DHABRN COc1ccccc1CN(C)C(=O)CSc1ccc(C)cc1 ZINC000038755069 183008764 /nfs/dbraw/zinc/00/87/64/183008764.db2.gz XEKREGZGWYCFAX-UHFFFAOYSA-N 0 0 315.438 3.754 40 0 DHABRN Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000038772783 183009058 /nfs/dbraw/zinc/00/90/58/183009058.db2.gz LZHRWPGJTRPDOS-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000038756800 183009338 /nfs/dbraw/zinc/00/93/38/183009338.db2.gz BAMAVMHUYBJTFB-UHFFFAOYSA-N 0 0 323.845 3.610 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1 ZINC000038849203 183011044 /nfs/dbraw/zinc/01/10/44/183011044.db2.gz SNTYOHFWLGRXNI-UHFFFAOYSA-N 0 0 313.445 3.650 40 0 DHABRN Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000039240066 183015632 /nfs/dbraw/zinc/01/56/32/183015632.db2.gz AMMYTJRUNZRCJT-UHFFFAOYSA-N 0 0 303.774 3.784 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(Cl)c(F)c2)C1 ZINC000039954151 183023529 /nfs/dbraw/zinc/02/35/29/183023529.db2.gz WJEZWYXOSGWATG-NSHDSACASA-N 0 0 315.772 3.867 40 0 DHABRN CN(C)c1cccc(O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000039953963 183023739 /nfs/dbraw/zinc/02/37/39/183023739.db2.gz KJZPWKZFVBFSOY-INIZCTEOSA-N 0 0 320.433 3.531 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(F)ccc2F)C1 ZINC000039953977 183024025 /nfs/dbraw/zinc/02/40/25/183024025.db2.gz ABBQHTPUOCVASH-LBPRGKRZSA-N 0 0 313.344 3.743 40 0 DHABRN COc1ccc([C@H](O)c2ccccc2Br)cc1OC ZINC000040243565 183049341 /nfs/dbraw/zinc/04/93/41/183049341.db2.gz HWOKKPHUCIWPRO-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc([C@@H](O)c2cccc(Br)c2)c(C)c1 ZINC000040246181 183049449 /nfs/dbraw/zinc/04/94/49/183049449.db2.gz VZINHEJTTGZUFB-HNNXBMFYSA-N 0 0 307.187 3.848 40 0 DHABRN COc1ccc(C)cc1[C@@H](O)c1ccccc1Br ZINC000040264084 183049509 /nfs/dbraw/zinc/04/95/09/183049509.db2.gz XRKYXUNQVWCKIV-HNNXBMFYSA-N 0 0 307.187 3.848 40 0 DHABRN C[C@H]1C[C@H](C)CN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1 ZINC000040294718 183051966 /nfs/dbraw/zinc/05/19/66/183051966.db2.gz JQRXVNZSQJKULT-IUCAKERBSA-N 0 0 301.217 3.694 40 0 DHABRN CC(=O)N(C(=O)COc1ccc(C(C)C)cc1)c1ccccc1 ZINC000041104836 183165883 /nfs/dbraw/zinc/16/58/83/183165883.db2.gz VCCHGZOMKCEKNJ-UHFFFAOYSA-N 0 0 311.381 3.769 40 0 DHABRN CC(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1 ZINC000042646484 183294124 /nfs/dbraw/zinc/29/41/24/183294124.db2.gz SWFHAWSXCFHOJW-AWEZNQCLSA-N 0 0 310.397 3.626 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000044900209 183452484 /nfs/dbraw/zinc/45/24/84/183452484.db2.gz MBKKYIXQKHAPOH-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN Cc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1 ZINC000045890245 183534774 /nfs/dbraw/zinc/53/47/74/183534774.db2.gz RDLSICZKURSSAW-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN C[C@H](Sc1ccccc1)C(=O)NCCSC1CCCC1 ZINC000046450815 183561924 /nfs/dbraw/zinc/56/19/24/183561924.db2.gz IQNZBSLVKIEEHA-ZDUSSCGKSA-N 0 0 309.500 3.959 40 0 DHABRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 ZINC000055675404 183994322 /nfs/dbraw/zinc/99/43/22/183994322.db2.gz VWNDWVPNHBDJQI-UHFFFAOYSA-N 0 0 307.390 3.658 40 0 DHABRN CCCCOc1cccc(C(=O)Nc2ccc(OC)c(N)c2)c1 ZINC000057340423 184033772 /nfs/dbraw/zinc/03/37/72/184033772.db2.gz BQWMFIFMDCBRQS-UHFFFAOYSA-N 0 0 314.385 3.709 40 0 DHABRN Cc1ccc(C)c(NC(=S)NCCCOC2CCCC2)c1 ZINC000057815713 184055290 /nfs/dbraw/zinc/05/52/90/184055290.db2.gz MELBKSFJIWOEPL-UHFFFAOYSA-N 0 0 306.475 3.939 40 0 DHABRN CCc1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000060382672 184147576 /nfs/dbraw/zinc/14/75/76/184147576.db2.gz OEISZLABAPOQIG-UHFFFAOYSA-N 0 0 317.816 3.940 40 0 DHABRN Cc1ccc([C@H](C)NC(=O)COc2ccccc2F)c(C)c1 ZINC000059351702 184137479 /nfs/dbraw/zinc/13/74/79/184137479.db2.gz HQJSBAFYGKSJHP-AWEZNQCLSA-N 0 0 301.361 3.699 40 0 DHABRN OCc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000059693326 184140154 /nfs/dbraw/zinc/14/01/54/184140154.db2.gz KIAGTYWNNISGPN-UHFFFAOYSA-N 0 0 311.150 3.660 40 0 DHABRN COc1ccccc1NC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000062648392 184246833 /nfs/dbraw/zinc/24/68/33/184246833.db2.gz XXQNQCAQYMVHAG-AWEZNQCLSA-N 0 0 314.385 3.593 40 0 DHABRN Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccccc1F ZINC000063790279 184288468 /nfs/dbraw/zinc/28/84/68/184288468.db2.gz VQDRMFRZWKBZCQ-ZDUSSCGKSA-N 0 0 318.417 3.888 40 0 DHABRN CCOc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1 ZINC000065720077 184377630 /nfs/dbraw/zinc/37/76/30/184377630.db2.gz PEYKMMYTAIMIFC-OAHLLOKOSA-N 0 0 313.397 3.591 40 0 DHABRN CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118931553 194942060 /nfs/dbraw/zinc/94/20/60/194942060.db2.gz FTVVRNPVTQSSQO-HCTHPUTCSA-N 0 0 318.457 3.504 40 0 DHABRN O=C(Nc1ccc(Br)c(Cl)c1)c1cccnc1 ZINC000156453214 197114869 /nfs/dbraw/zinc/11/48/69/197114869.db2.gz ILJGDMMYHXKRAX-UHFFFAOYSA-N 0 0 311.566 3.750 40 0 DHABRN C1CC2(CO1)[C@@H]1[C@@H]3CC[C@H]4C5C6[C@H]([C@@H]1[C@H]1[C@@H]6[C@H]6[C@@H](CC[C@@H]56)[C@@H]12)[C@@H]34 ZINC000104294469 256579301 /nfs/dbraw/zinc/57/93/01/256579301.db2.gz QUHROFCTPBXVCA-QTCQPWDPSA-N 0 0 308.465 3.689 40 0 DHABRN CCCC(=O)Nc1nc2ccc(NC(=O)C(C)C)cc2s1 ZINC000005002211 256518050 /nfs/dbraw/zinc/51/80/50/256518050.db2.gz MELLLEZYXQIAJG-UHFFFAOYSA-N 0 0 305.403 3.629 40 0 DHABRN COc1ccc(NC(=S)NCCCc2cccc(C)c2)cc1 ZINC000225391163 256595232 /nfs/dbraw/zinc/59/52/32/256595232.db2.gz WNCBAIYOVCFECB-UHFFFAOYSA-N 0 0 314.454 3.923 40 0 DHABRN Cc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)cc1C ZINC000225419412 256595242 /nfs/dbraw/zinc/59/52/42/256595242.db2.gz WISPLTDPYKIRBL-UHFFFAOYSA-N 0 0 309.413 3.865 40 0 DHABRN COC(=O)[C@@H]1C[C@@H](C(F)(F)F)CC2(C1)SCCCS2 ZINC000225757839 256597214 /nfs/dbraw/zinc/59/72/14/256597214.db2.gz BTMMPHFRAPWXIM-RKDXNWHRSA-N 0 0 314.394 3.704 40 0 DHABRN Cc1[nH]c(=S)ccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072218364 257124501 /nfs/dbraw/zinc/12/45/01/257124501.db2.gz WQZKRTWNSZUHGP-UHFFFAOYSA-N 0 0 310.419 3.540 40 0 DHABRN CC(C)(C)OC(=O)N(c1ncccc1C1=NCCC1)C1CCC1 ZINC000072215483 257125932 /nfs/dbraw/zinc/12/59/32/257125932.db2.gz TVHOXIAVNQSNSH-UHFFFAOYSA-N 0 0 315.417 3.959 40 0 DHABRN CC(C)(C)OC(=O)N(c1ccc(C2=NCCCC2)cn1)C1CC1 ZINC000072215333 257126628 /nfs/dbraw/zinc/12/66/28/257126628.db2.gz DTAMJWVOSBABSI-UHFFFAOYSA-N 0 0 315.417 3.959 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214352 257126695 /nfs/dbraw/zinc/12/66/95/257126695.db2.gz RAQRUUFGSGALCL-CQSZACIVSA-N 0 0 319.405 3.502 40 0 DHABRN O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213725 257126719 /nfs/dbraw/zinc/12/67/19/257126719.db2.gz MBJICXWYZGCLNK-QGZVFWFLSA-N 0 0 307.397 3.633 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213051 257127000 /nfs/dbraw/zinc/12/70/00/257127000.db2.gz XLRJBRHCZGUNJN-QGZVFWFLSA-N 0 0 303.450 3.778 40 0 DHABRN CCN(CC)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072212843 257127070 /nfs/dbraw/zinc/12/70/70/257127070.db2.gz JUBGUQIYUMYRKS-SFHVURJKSA-N 0 0 323.440 3.905 40 0 DHABRN CCCNc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072213141 257127239 /nfs/dbraw/zinc/12/72/39/257127239.db2.gz OCHZIXQISLPVLR-KRWDZBQOSA-N 0 0 309.413 3.881 40 0 DHABRN CC(C)(C)OC(=O)Nc1ccc2c(Br)nccc2n1 ZINC000072206803 257128270 /nfs/dbraw/zinc/12/82/70/257128270.db2.gz VVVVZTYKNROEPL-UHFFFAOYSA-N 0 0 324.178 3.739 40 0 DHABRN Oc1ccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000064874549 257128558 /nfs/dbraw/zinc/12/85/58/257128558.db2.gz FIEICMVHJJUDMA-UHFFFAOYSA-N 0 0 305.259 3.863 40 0 DHABRN CC(C)(C)c1ccc(OCc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000034925899 257129765 /nfs/dbraw/zinc/12/97/65/257129765.db2.gz LIKAPOWZDQBCEY-UHFFFAOYSA-N 0 0 308.385 3.743 40 0 DHABRN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000170387708 257216917 /nfs/dbraw/zinc/21/69/17/257216917.db2.gz YQKZEGUAPCNVOS-UKRRQHHQSA-N 0 0 316.445 3.618 40 0 DHABRN O=C1S/C(=C\c2ccncc2)C(=O)N1c1ccc(Cl)cc1 ZINC000039860706 257217502 /nfs/dbraw/zinc/21/75/02/257217502.db2.gz IWWADYKYRJTYNK-LCYFTJDESA-N 0 0 316.769 3.976 40 0 DHABRN CCc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc1 ZINC000021596441 257217678 /nfs/dbraw/zinc/21/76/78/257217678.db2.gz VHQSDNXFCRLNOB-UHFFFAOYSA-N 0 0 312.438 3.993 40 0 DHABRN CCC(=O)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C ZINC000009141406 257217949 /nfs/dbraw/zinc/21/79/49/257217949.db2.gz KKPWYRRLIBTSAX-UHFFFAOYSA-N 0 0 308.385 3.640 40 0 DHABRN Cc1ccc(OCC(=O)NCc2ccccc2Cl)cc1C ZINC000003611639 257219144 /nfs/dbraw/zinc/21/91/44/257219144.db2.gz HOWGSSOGVXPYJJ-UHFFFAOYSA-N 0 0 303.789 3.652 40 0 DHABRN O=C1NC(=Cc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000409246297 257220118 /nfs/dbraw/zinc/22/01/18/257220118.db2.gz ANETZQUQCZEZPY-NTEUORMPSA-N 0 0 316.719 3.576 40 0 DHABRN COCCCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O ZINC000409235756 257220574 /nfs/dbraw/zinc/22/05/74/257220574.db2.gz QITBTFTVCDFKJC-RVDMUPIBSA-N 0 0 319.426 3.883 40 0 DHABRN CC(=O)c1cn([C@@H](C)C(=O)NCc2ccccc2)c2ccccc12 ZINC000409206384 257220783 /nfs/dbraw/zinc/22/07/83/257220783.db2.gz NQEDBFVRXNHDNR-AWEZNQCLSA-N 0 0 320.392 3.721 40 0 DHABRN COc1ccc2oc(C(=O)Nc3ccc(C(C)=O)cc3)cc2c1 ZINC000409183974 257221013 /nfs/dbraw/zinc/22/10/13/257221013.db2.gz HGWPWFGHBJFMDE-UHFFFAOYSA-N 0 0 309.321 3.896 40 0 DHABRN Cc1ccsc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409167441 257221628 /nfs/dbraw/zinc/22/16/28/257221628.db2.gz LBJFULZSBAEQAS-XYOKQWHBSA-N 0 0 318.785 3.807 40 0 DHABRN CCN1c2ccccc2/C(=C/c2cc(OC)c(OC)cc2C)C1=O ZINC000409113341 257222142 /nfs/dbraw/zinc/22/21/42/257222142.db2.gz HVYTUHIOASYEGR-WJDWOHSUSA-N 0 0 323.392 3.919 40 0 DHABRN COc1ccc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1O ZINC000409110366 257223150 /nfs/dbraw/zinc/22/31/50/257223150.db2.gz VICZFPRFDVDVDE-YBEGLDIGSA-N 0 0 323.392 3.944 40 0 DHABRN COc1ccc(-c2cc(-c3ccc(F)cc3)n3ncnc3n2)cc1 ZINC000409059569 257223655 /nfs/dbraw/zinc/22/36/55/257223655.db2.gz QSDASJOIKNGGAN-UHFFFAOYSA-N 0 0 320.327 3.606 40 0 DHABRN COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Cl ZINC000409023211 257224000 /nfs/dbraw/zinc/22/40/00/257224000.db2.gz YFTMWKGZAYRARR-KPKJPENVSA-N 0 0 311.790 3.793 40 0 DHABRN CCCN(Cc1ccccc1)C(=O)c1ccc2cnncc2c1 ZINC000408978836 257224704 /nfs/dbraw/zinc/22/47/04/257224704.db2.gz NLNCARMHHCMHNP-UHFFFAOYSA-N 0 0 305.381 3.682 40 0 DHABRN COc1ccc2c(Cl)c(C(=O)N(C)C)sc2c1Cl ZINC000408972682 257224721 /nfs/dbraw/zinc/22/47/21/257224721.db2.gz QPKZBBSNRBWTIT-UHFFFAOYSA-N 0 0 304.198 3.919 40 0 DHABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccs3)S2)cc1 ZINC000408779578 257226920 /nfs/dbraw/zinc/22/69/20/257226920.db2.gz YXMMAVXGNJWAIX-DNXIFWLFSA-N 0 0 316.451 3.910 40 0 DHABRN Cc1ccsc1/C=C1\SC(Nc2ccccc2F)NC1=O ZINC000408811363 257226974 /nfs/dbraw/zinc/22/69/74/257226974.db2.gz QTIWNDLPJGDVKK-UHFFFAOYSA-N 0 0 319.406 3.959 40 0 DHABRN Cc1nc2ccc(OC(=S)N3CCCCCC3)cc2nc1C ZINC000408735375 257227159 /nfs/dbraw/zinc/22/71/59/257227159.db2.gz PDIBXZIQBILKJW-UHFFFAOYSA-N 0 0 315.442 3.786 40 0 DHABRN Cc1ccc(Oc2ccccc2C(=S)N2CCOCC2)cc1 ZINC000408728082 257227512 /nfs/dbraw/zinc/22/75/12/257227512.db2.gz ZPUIKNBABUEPFR-UHFFFAOYSA-N 0 0 313.422 3.795 40 0 DHABRN CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2ccccc21 ZINC000408713131 257227768 /nfs/dbraw/zinc/22/77/68/257227768.db2.gz LESLNEGHIFTTFU-UHFFFAOYSA-N 0 0 324.424 3.642 40 0 DHABRN Cc1cc(Cl)ccc1NC(=O)c1cnc2ccccc2c1O ZINC000408713240 257228155 /nfs/dbraw/zinc/22/81/55/257228155.db2.gz PGIHMTDIOFQUIZ-UHFFFAOYSA-N 0 0 312.756 3.742 40 0 DHABRN CCCOc1ccccc1/C=C1/SC(=O)N(CCC)C1=O ZINC000408604472 257229074 /nfs/dbraw/zinc/22/90/74/257229074.db2.gz USODYPDYVYQRBC-SDNWHVSQSA-N 0 0 305.399 3.922 40 0 DHABRN COc1ccc(C(=S)NCc2ccccc2Cl)c(OC)c1 ZINC000408577232 257229879 /nfs/dbraw/zinc/22/98/79/257229879.db2.gz RYUIXVUYWYHLAZ-UHFFFAOYSA-N 0 0 321.829 3.823 40 0 DHABRN COc1ccc(C(=O)NC2CC2)cc1CSc1ccccc1 ZINC000224321392 257233036 /nfs/dbraw/zinc/23/30/36/257233036.db2.gz IAKQVWOVIJLOKK-UHFFFAOYSA-N 0 0 313.422 3.880 40 0 DHABRN CCc1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1 ZINC000007499863 134483762 /nfs/dbraw/zinc/48/37/62/134483762.db2.gz CYNBTXDTOGUSEB-UHFFFAOYSA-N 0 0 310.466 3.747 40 0 DHABRN CCc1cc2c(s1)NC(=O)CN=C2c1ccccc1Cl ZINC000095935650 563531648 /nfs/dbraw/zinc/53/16/48/563531648.db2.gz NDWDXZCLEWQSMO-UHFFFAOYSA-N 0 0 304.802 3.753 40 0 DHABRN COc1ccc(CC(=O)c2c[nH]c3ccc(F)cc23)cc1OC ZINC000228978359 262505038 /nfs/dbraw/zinc/50/50/38/262505038.db2.gz NCMZWJNOLCWWNB-UHFFFAOYSA-N 0 0 313.328 3.750 40 0 DHABRN COCCn1c(C)cc2cc(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)ccc21 ZINC000019126296 331578407 /nfs/dbraw/zinc/57/84/07/331578407.db2.gz TYSBBOAGJTZIPA-RVKKMQEKSA-N 0 0 324.424 3.747 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(C(C)=O)c1 ZINC000078700780 331675079 /nfs/dbraw/zinc/67/50/79/331675079.db2.gz UTUKAFODDGIZPD-MRXNPFEDSA-N 0 0 315.344 3.824 40 0 DHABRN Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000042646576 332247951 /nfs/dbraw/zinc/24/79/51/332247951.db2.gz BLRBKBDAXNDRGA-UHFFFAOYSA-N 0 0 324.424 3.547 40 0 DHABRN CC(C)(C)c1cc(Cn2nc(C(F)(F)F)c3cnccc32)no1 ZINC000333527044 336205140 /nfs/dbraw/zinc/20/51/40/336205140.db2.gz LQBAVTPIINAKRM-UHFFFAOYSA-N 0 0 324.306 3.784 40 0 DHABRN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000247943181 341371431 /nfs/dbraw/zinc/37/14/31/341371431.db2.gz QIBHNDDMPBCRNN-OIPACUDHSA-N 0 0 323.440 3.705 40 0 DHABRN Cc1cccc(-c2cnc3n2CCN(Cc2ccsc2)C3)c1 ZINC000306126129 534550928 /nfs/dbraw/zinc/55/09/28/534550928.db2.gz DNOKKJJCAYPKMI-UHFFFAOYSA-N 0 0 309.438 3.936 40 0 DHABRN Cc1cccc(C)c1Nc1cc(C2CC2)nc(NC2CCCC2)n1 ZINC000328964286 534672478 /nfs/dbraw/zinc/67/24/78/534672478.db2.gz BUPJNROQERASQD-UHFFFAOYSA-N 0 0 322.456 3.913 40 0 DHABRN CCCOc1ccc(/C=C2\SC(=O)N(CCC)C2=O)cc1 ZINC000006323873 563592219 /nfs/dbraw/zinc/59/22/19/563592219.db2.gz FNEIVNCVHWEUFI-KAMYIIQDSA-N 0 0 305.399 3.922 40 0 DHABRN Cc1cccc(NC(=S)NCCCc2ccc(Cl)cc2)n1 ZINC000225545624 563758714 /nfs/dbraw/zinc/75/87/14/563758714.db2.gz MCWYTIODUGOBQT-UHFFFAOYSA-N 0 0 319.861 3.963 40 0 DHABRN COCCC1(NC(=S)Nc2cc(C)cc(C)c2)CCCC1 ZINC000225842738 563764578 /nfs/dbraw/zinc/76/45/78/563764578.db2.gz LRWKIHXZFCHHRR-UHFFFAOYSA-N 0 0 306.475 3.939 40 0 DHABRN Cc1cc(N)cc(C)c1NC(=O)c1ccc(Br)cc1 ZINC000045888836 563888272 /nfs/dbraw/zinc/88/82/72/563888272.db2.gz JWSXUVJLXVODBO-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN C[C@@H](NC(=O)Cc1cccs1)c1ccc(Br)cc1 ZINC000007645511 563340541 /nfs/dbraw/zinc/34/05/41/563340541.db2.gz UOCAERPFJPAZKX-SNVBAGLBSA-N 0 0 324.243 3.931 40 0 DHABRN COc1ccc(NC(=S)NC2CCCCCC2)cc1OC ZINC000013818428 563390323 /nfs/dbraw/zinc/39/03/23/563390323.db2.gz IQQWACSOXSJDFU-UHFFFAOYSA-N 0 0 308.447 3.713 40 0 DHABRN CC(C)OC(=O)c1cc(N)c(N2CCCC[C@H]2C)c(Cl)c1 ZINC000070462605 563497532 /nfs/dbraw/zinc/49/75/32/563497532.db2.gz NBHUJVVZLBYFGA-LLVKDONJSA-N 0 0 310.825 3.866 40 0 DHABRN Cc1nnc(SCc2ccccc2Cl)n1C[C@H]1CCCO1 ZINC000000420993 563252633 /nfs/dbraw/zinc/25/26/33/563252633.db2.gz HGTKYWSHPZBYLR-CYBMUJFWSA-N 0 0 323.849 3.711 40 0 DHABRN Cc1ccc(-c2nnc(SCc3ccc(C)c(C)c3)n2N)cc1 ZINC000000525546 563264921 /nfs/dbraw/zinc/26/49/21/563264921.db2.gz BZSUPVWROLUREO-UHFFFAOYSA-N 0 0 324.453 3.876 40 0 DHABRN O=Cc1cn(CC(=O)Nc2cccc(Cl)c2)c2ccccc12 ZINC000000573930 563267939 /nfs/dbraw/zinc/26/79/39/563267939.db2.gz JWMUJRXFSSKXPA-UHFFFAOYSA-N 0 0 312.756 3.746 40 0 DHABRN CCN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O ZINC000035042102 563284080 /nfs/dbraw/zinc/28/40/80/563284080.db2.gz OVLFZFDXCCPZPF-JXMROGBWSA-N 0 0 312.188 3.505 40 0 DHABRN O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000001576755 563285813 /nfs/dbraw/zinc/28/58/13/563285813.db2.gz OOGPSAPSNYTFTK-UHFFFAOYSA-N 0 0 323.826 3.924 40 0 DHABRN CC(=O)Nc1ncc2c(n1)-c1ccccc1O[C@H]2c1ccccc1 ZINC000001651221 563289119 /nfs/dbraw/zinc/28/91/19/563289119.db2.gz FFLDHULLIYWEEX-SFHVURJKSA-N 0 0 317.348 3.584 40 0 DHABRN CC(=O)OCCCC[C@@H]1CO[C@@H](c2ccc(C(C)C)cc2)O1 ZINC000001681895 563290968 /nfs/dbraw/zinc/29/09/68/563290968.db2.gz DDLOGTGEIHACKY-QZTJIDSGSA-N 0 0 306.402 3.957 40 0 DHABRN CC(=O)OCCCC[C@H]1CO[C@@H](c2ccc(C(C)C)cc2)O1 ZINC000001681897 563291363 /nfs/dbraw/zinc/29/13/63/563291363.db2.gz DDLOGTGEIHACKY-ZWKOTPCHSA-N 0 0 306.402 3.957 40 0 DHABRN O=C(COc1ccccc1Cl)NCc1ccc(Cl)cc1 ZINC000001750387 563294650 /nfs/dbraw/zinc/29/46/50/563294650.db2.gz KNSSBOLVVXAQKW-UHFFFAOYSA-N 0 0 310.180 3.689 40 0 DHABRN CCCSc1nnc(NC(=O)c2ccc(OCC)cc2)s1 ZINC000007321783 563337904 /nfs/dbraw/zinc/33/79/04/563337904.db2.gz CGQZGUQRSINMDV-UHFFFAOYSA-N 0 0 323.443 3.691 40 0 DHABRN O=C(CCSCc1ccccc1)NCc1ccc(F)cc1 ZINC000007685627 563340841 /nfs/dbraw/zinc/34/08/41/563340841.db2.gz PUSSEJPYXOBRIK-UHFFFAOYSA-N 0 0 303.402 3.765 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2F)cc1 ZINC000007790209 563342491 /nfs/dbraw/zinc/34/24/91/563342491.db2.gz ZAAJQOBUPRYIDA-LLVKDONJSA-N 0 0 305.374 3.954 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000007790381 563342502 /nfs/dbraw/zinc/34/25/02/563342502.db2.gz YEVJNOHOBRSKBS-ZDUSSCGKSA-N 0 0 307.459 3.872 40 0 DHABRN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)C(F)(F)F ZINC000008054026 563344011 /nfs/dbraw/zinc/34/40/11/563344011.db2.gz YXNPPIXWTNIFJF-UHFFFAOYSA-N 0 0 306.243 3.996 40 0 DHABRN COc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1OC ZINC000008221359 563345412 /nfs/dbraw/zinc/34/54/12/563345412.db2.gz ZGUOHLDVYQEOEX-LBPRGKRZSA-N 0 0 300.358 3.587 40 0 DHABRN C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4OC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000008242437 563345433 /nfs/dbraw/zinc/34/54/33/563345433.db2.gz QTBANSSXVTZHMD-ZFVBVUAESA-N 0 0 306.446 3.686 40 0 DHABRN CC(C)CCOCc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000008772996 563350140 /nfs/dbraw/zinc/35/01/40/563350140.db2.gz UYQAOACITRHOIH-LLVKDONJSA-N 0 0 320.458 3.672 40 0 aggregator DHABRN O=Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000009235989 563352918 /nfs/dbraw/zinc/35/29/18/563352918.db2.gz VEGAGHPIODVHLB-UHFFFAOYSA-N 0 0 324.163 3.823 40 0 DHABRN CNc1nn(-c2ccc(C)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 ZINC000009936333 563354389 /nfs/dbraw/zinc/35/43/89/563354389.db2.gz HNCYMKDYDQWUJA-CYBMUJFWSA-N 0 0 321.380 3.728 40 0 DHABRN O=C(Cc1ccc(Cl)cc1)NCCSCc1ccco1 ZINC000010327949 563356133 /nfs/dbraw/zinc/35/61/33/563356133.db2.gz 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CCC[C@@H](C)NC(=O)c1ccc(OC)c(COCC(C)C)c1 ZINC000224454036 563742075 /nfs/dbraw/zinc/74/20/75/563742075.db2.gz ZJUBWPUSZKZYEW-CQSZACIVSA-N 0 0 307.434 3.786 40 0 DHABRN CC(C)CSc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000224532038 563742734 /nfs/dbraw/zinc/74/27/34/563742734.db2.gz LPWMYVMXBURODS-UHFFFAOYSA-N 0 0 321.471 3.858 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H](C)c1ccccc1 ZINC000224616396 563743393 /nfs/dbraw/zinc/74/33/93/563743393.db2.gz YCDLLOVYXHNXTI-PBHICJAKSA-N 0 0 315.388 3.903 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c(C)c1 ZINC000224606526 563743449 /nfs/dbraw/zinc/74/34/49/563743449.db2.gz JHTUKECZZFREQT-HNNXBMFYSA-N 0 0 315.388 3.569 40 0 DHABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C1CCCC1 ZINC000224846540 563744947 /nfs/dbraw/zinc/74/49/47/563744947.db2.gz HJZCAUADQVGRJM-UHFFFAOYSA-N 0 0 319.792 3.539 40 0 DHABRN CCOc1ccc(-c2cnc(CCC(=O)N[C@@H](C)CC)o2)cc1 ZINC000224854978 563744949 /nfs/dbraw/zinc/74/49/49/563744949.db2.gz BKKBKINVCPGJOD-ZDUSSCGKSA-N 0 0 316.401 3.588 40 0 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CC[C@@H]1N=C(C2CC2)c2cccn2-c2cc3c(cc21)OCCO3 ZINC000225375290 563753398 /nfs/dbraw/zinc/75/33/98/563753398.db2.gz ZSEBSTQEICVHGQ-AWEZNQCLSA-N 0 0 308.381 3.912 40 0 DHABRN CCc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)cc1 ZINC000225420686 563754431 /nfs/dbraw/zinc/75/44/31/563754431.db2.gz KBRNZJCXOIALHU-UHFFFAOYSA-N 0 0 309.413 3.811 40 0 DHABRN Cc1ccccc1[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000225429554 563754697 /nfs/dbraw/zinc/75/46/97/563754697.db2.gz LCGZDTQXCDFOKC-LJQANCHMSA-N 0 0 302.377 3.909 40 0 DHABRN Cc1cccc([C@@H](NC(=O)c2cccnc2)c2ccccc2)c1 ZINC000225431681 563755122 /nfs/dbraw/zinc/75/51/22/563755122.db2.gz MQDJMKAISNMXDL-IBGZPJMESA-N 0 0 302.377 3.909 40 0 DHABRN Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccccc2Cl)cc1 ZINC000225439740 563755159 /nfs/dbraw/zinc/75/51/59/563755159.db2.gz FYUDGMGQFSDVAH-CQSZACIVSA-N 0 0 317.816 3.775 40 0 DHABRN O=C(Cc1ccccc1F)NCCCc1ccc(Cl)cc1 ZINC000225448038 563755165 /nfs/dbraw/zinc/75/51/65/563755165.db2.gz XSHCFVRJCQONEV-UHFFFAOYSA-N 0 0 305.780 3.771 40 0 DHABRN 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DHABRN Cc1ccccc1CSCCNC(=O)NC1CCCCC1 ZINC000225754795 563762152 /nfs/dbraw/zinc/76/21/52/563762152.db2.gz FZBXFRVRHSEMEF-UHFFFAOYSA-N 0 0 306.475 3.860 40 0 DHABRN CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C ZINC000225761636 563762381 /nfs/dbraw/zinc/76/23/81/563762381.db2.gz JSPYNAUMXSHDHL-UHFFFAOYSA-N 0 0 324.424 3.624 40 0 DHABRN C[C@H](COc1ccccc1)NC(=S)Nc1cccc(F)c1 ZINC000225782506 563762862 /nfs/dbraw/zinc/76/28/62/563762862.db2.gz DWDWCBBJQYUZBW-GFCCVEGCSA-N 0 0 304.390 3.580 40 0 DHABRN CCO[C@@](C)(C(=O)Nc1ccc(OC)c2ccccc12)C1CC1 ZINC000225836939 563764315 /nfs/dbraw/zinc/76/43/15/563764315.db2.gz BLLHNKITBDXTFN-LJQANCHMSA-N 0 0 313.397 3.992 40 0 DHABRN COc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1C ZINC000225861108 563765191 /nfs/dbraw/zinc/76/51/91/563765191.db2.gz FGHUFTJAKRVGGL-UHFFFAOYSA-N 0 0 305.324 3.853 40 0 DHABRN CCOc1ccccc1NC(=O)c1conc1-c1ccccc1 ZINC000225871494 563765441 /nfs/dbraw/zinc/76/54/41/563765441.db2.gz UVOLQOJGYHVLKY-UHFFFAOYSA-N 0 0 308.337 3.993 40 0 DHABRN CCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c2ncccc12 ZINC000225886255 563765839 /nfs/dbraw/zinc/76/58/39/563765839.db2.gz SLDJWMKPZVWXGL-SFHVURJKSA-N 0 0 316.401 3.777 40 0 DHABRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)nc1C ZINC000225897543 563766480 /nfs/dbraw/zinc/76/64/80/563766480.db2.gz SZEBPFPRFSZMDI-QGZVFWFLSA-N 0 0 308.422 3.713 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cn1 ZINC000225889060 563766575 /nfs/dbraw/zinc/76/65/75/563766575.db2.gz MIKQXRSLESVUEV-RDTXWAMCSA-N 0 0 320.433 3.794 40 0 DHABRN CCCOc1ncc(NC(=O)C2(OC)CCC(C)CC2)cc1C ZINC000225891041 563766616 /nfs/dbraw/zinc/76/66/16/563766616.db2.gz OCSJSSWPXAKGEG-UHFFFAOYSA-N 0 0 320.433 3.713 40 0 DHABRN CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1 ZINC000225896368 563766644 /nfs/dbraw/zinc/76/66/44/563766644.db2.gz MTOFLPQOTRVKBC-QGZVFWFLSA-N 0 0 308.422 3.794 40 0 DHABRN CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c(C)n1 ZINC000225900259 563767154 /nfs/dbraw/zinc/76/71/54/563767154.db2.gz ZBSBKBCTQSHWHH-ACJLOTCBSA-N 0 0 320.433 3.713 40 0 DHABRN Cc1ccc2oc(=O)c(C(=O)N[C@@H](C)c3ccccc3)cc2c1 ZINC000226036207 563768601 /nfs/dbraw/zinc/76/86/01/563768601.db2.gz IUERWHMPPMKVQR-ZDUSSCGKSA-N 0 0 307.349 3.592 40 0 DHABRN Cc1cccc(NC(=O)c2cc3cccc(C)c3oc2=O)c1C ZINC000226034405 563768637 /nfs/dbraw/zinc/76/86/37/563768637.db2.gz WEQNKBSFQNDJRY-UHFFFAOYSA-N 0 0 307.349 3.971 40 0 DHABRN CC(=O)Nc1ccc2nc(SCc3ccccn3)sc2c1 ZINC000059417553 563771633 /nfs/dbraw/zinc/77/16/33/563771633.db2.gz YYANWOQJJJXHKC-UHFFFAOYSA-N 0 0 315.423 3.942 40 0 DHABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000014206269 563774422 /nfs/dbraw/zinc/77/44/22/563774422.db2.gz SDBIICXOTJJAGE-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN COC(=O)c1cc(C)c(OC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000256054731 563789190 /nfs/dbraw/zinc/78/91/90/563789190.db2.gz XNRIFSCOFLCBLA-UHFFFAOYSA-N 0 0 318.756 3.963 40 0 DHABRN CC1(c2ncc(Cl)s2)CC[NH+](Cc2ccccn2)CC1 ZINC000257200676 563790061 /nfs/dbraw/zinc/79/00/61/563790061.db2.gz AELKNKJMUXXTQG-UHFFFAOYSA-N 0 0 307.850 3.745 40 0 DHABRN O=C(c1ccc(F)cc1)N1C[C@@H]2[C@@H](Cc3ccccn3)CC[C@@H]2C1 ZINC000257211786 563790587 /nfs/dbraw/zinc/79/05/87/563790587.db2.gz CAJPPOYSQQULJJ-GPMSIDNRSA-N 0 0 324.399 3.562 40 0 DHABRN Cc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(CCC(=O)[O-])n1 ZINC000257242352 563791361 /nfs/dbraw/zinc/79/13/61/563791361.db2.gz ICBLUNVWNLNJIN-IBGZPJMESA-N 0 0 324.424 3.744 40 0 DHABRN CCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257238947 563791772 /nfs/dbraw/zinc/79/17/72/563791772.db2.gz HNFKPXWXILWENX-CQSZACIVSA-N 0 0 316.376 3.521 40 0 DHABRN Cc1csc(C(=O)N2CCC[C@@H]2CCc2ccncc2)c1 ZINC000257324327 563792349 /nfs/dbraw/zinc/79/23/49/563792349.db2.gz WOEFOBCCYXYLTE-OAHLLOKOSA-N 0 0 300.427 3.689 40 0 DHABRN CC[C@H](C)Nc1nc(Nc2cccc(Cl)c2)cc(C2CC2)n1 ZINC000328977905 563801369 /nfs/dbraw/zinc/80/13/69/563801369.db2.gz FWZMRSPSKKAPFP-NSHDSACASA-N 0 0 316.836 3.805 40 0 DHABRN Cc1cccnc1NC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000000268689 563819508 /nfs/dbraw/zinc/81/95/08/563819508.db2.gz HNPNHXBQEWPNTQ-UHFFFAOYSA-N 0 0 311.385 3.627 40 0 DHABRN CC[C@H](C)Nc1nc(Nc2ccccc2C)cc(C(F)(F)F)n1 ZINC000328971237 563832900 /nfs/dbraw/zinc/83/29/00/563832900.db2.gz DOHPQAJOESAIKZ-NSHDSACASA-N 0 0 324.350 3.602 40 0 DHABRN CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)n1 ZINC000328984077 563833040 /nfs/dbraw/zinc/83/30/40/563833040.db2.gz HKLJRBYQGWSMIN-UHFFFAOYSA-N 0 0 323.227 3.680 40 0 DHABRN CC[C@H](C)Nc1nc(Nc2cccc(F)c2C)cc(C2CC2)n1 ZINC000329023525 563833386 /nfs/dbraw/zinc/83/33/86/563833386.db2.gz OUPWTGNFYSPDOL-NSHDSACASA-N 0 0 314.408 3.599 40 0 DHABRN S=C1NC(c2ccccc2)=NC1=C1Nc2ccccc2S1 ZINC000101426407 563842540 /nfs/dbraw/zinc/84/25/40/563842540.db2.gz NAHNVYNKYGGNIF-SSZFMOIBSA-N 0 0 309.419 3.751 40 0 DHABRN Ic1ccc(N2Cc3ccccc3C2)cc1 ZINC000000559664 563853971 /nfs/dbraw/zinc/85/39/71/563853971.db2.gz SUQFDBNYTSCUBW-UHFFFAOYSA-N 0 0 321.161 3.811 40 0 DHABRN COc1cccc(OC)c1/C=C/C(=O)NC1CCCCCC1 ZINC000000574342 563854619 /nfs/dbraw/zinc/85/46/19/563854619.db2.gz DGNNIMATOXMFHA-OUKQBFOZSA-N 0 0 303.402 3.556 40 0 DHABRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000001993493 563854854 /nfs/dbraw/zinc/85/48/54/563854854.db2.gz ZRLRKQRILGTUFR-UHFFFAOYSA-N 0 0 317.772 3.752 40 0 DHABRN Nc1nnc(-c2cccc(OCc3ccc(F)cc3Cl)c2)o1 ZINC000216801198 563855609 /nfs/dbraw/zinc/85/56/09/563855609.db2.gz UGRQWIPXLKPFEB-UHFFFAOYSA-N 0 0 319.723 3.690 40 0 DHABRN COC(=O)c1cc2nc(-c3ccccc3F)[nH]c2c(Cl)c1 ZINC000216921618 563858607 /nfs/dbraw/zinc/85/86/07/563858607.db2.gz HPXSAIMUGFXXTI-UHFFFAOYSA-N 0 0 304.708 3.809 40 0 DHABRN CCOC(=O)C(C)(Cc1cccc2ccccc21)C(=O)OCC ZINC000001689911 563865254 /nfs/dbraw/zinc/86/52/54/563865254.db2.gz BCYBXIIEYVHCLE-UHFFFAOYSA-N 0 0 314.381 3.515 40 0 DHABRN CCn1c(=S)[nH]nc1[C@H](CC(C)C)NC(=O)c1cccs1 ZINC000085400213 563889544 /nfs/dbraw/zinc/88/95/44/563889544.db2.gz RDNBIWZPCYRZLJ-JTQLQIEISA-N 0 0 324.475 3.539 40 0 DHABRN C[C@@H](COc1ccccc1Cl)OC(=O)Cc1ccccc1 ZINC000002046292 563896445 /nfs/dbraw/zinc/89/64/45/563896445.db2.gz GJHDKNPMGVUYHC-ZDUSSCGKSA-N 0 0 304.773 3.893 40 0 DHABRN CCc1nn(Cc2ccccc2)c(C(N)=O)c1-c1ccccc1C ZINC000228953426 563914666 /nfs/dbraw/zinc/91/46/66/563914666.db2.gz RAJMOARNOQYSSM-UHFFFAOYSA-N 0 0 319.408 3.568 40 0 DHABRN COc1ccc(-c2nc3ccc(N)cc3o2)cc1Br ZINC000038074151 563917249 /nfs/dbraw/zinc/91/72/49/563917249.db2.gz WRTKFLDZXQIKKX-UHFFFAOYSA-N 0 0 319.158 3.848 40 0 DHABRN CN(C)c1ccc(NC(=S)Nc2ccc3ncncc3c2)cc1 ZINC000006570623 563921416 /nfs/dbraw/zinc/92/14/16/563921416.db2.gz NPMSFEJZEWASBI-UHFFFAOYSA-N 0 0 323.425 3.505 40 0 DHABRN CCCC(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12 ZINC000006417523 563921418 /nfs/dbraw/zinc/92/14/18/563921418.db2.gz MOFRMEGWFXPIQC-UHFFFAOYSA-N 0 0 300.402 3.539 40 0 DHABRN CC(C)/N=C1\S/C(=C/c2ccc(F)cc2)C(=O)N1C(C)C ZINC000006324911 563921534 /nfs/dbraw/zinc/92/15/34/563921534.db2.gz HUQCZHVORYBWGH-WZMAMLOKSA-N 0 0 306.406 3.915 40 0 DHABRN CCOC(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000006955055 563921729 /nfs/dbraw/zinc/92/17/29/563921729.db2.gz HGUWHZZRNHFHEY-UHFFFAOYSA-N 0 0 313.378 3.905 40 0 DHABRN COc1cccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@@H]32)c1OC ZINC000006954823 563921756 /nfs/dbraw/zinc/92/17/56/563921756.db2.gz CYPANVOZDRECOC-JLSDUUJJSA-N 0 0 311.381 3.948 40 0 DHABRN N#C/C(=C/c1cccn1-c1ccc(F)cc1)C(=O)NC1CCCC1 ZINC000006971171 563921920 /nfs/dbraw/zinc/92/19/20/563921920.db2.gz NMDUUBYWBQFPIG-OWBHPGMISA-N 0 0 323.371 3.582 40 0 DHABRN CC(=O)Nc1ccc(-c2nc(SCc3ccccc3)n[nH]2)cc1 ZINC000007605047 563922082 /nfs/dbraw/zinc/92/20/82/563922082.db2.gz XCQRULJXRDYCMI-UHFFFAOYSA-N 0 0 324.409 3.722 40 0 DHABRN Cc1ccccc1CNC(=O)COc1ccccc1C(C)(C)C ZINC000008041209 563922137 /nfs/dbraw/zinc/92/21/37/563922137.db2.gz IMLKDRABKIZTQI-UHFFFAOYSA-N 0 0 311.425 3.988 40 0 DHABRN COc1ccc(NC2=NC(=O)C(=Cc3ccsc3)S2)cc1 ZINC000016440273 563922751 /nfs/dbraw/zinc/92/27/51/563922751.db2.gz MLCLUILZUNFAPF-MDWZMJQESA-N 0 0 316.407 3.839 40 0 DHABRN O=c1nc(SCc2cccc(Cl)c2)[nH]c2sccc21 ZINC000022988795 563922928 /nfs/dbraw/zinc/92/29/28/563922928.db2.gz WZWHLRXVLNLUQU-UHFFFAOYSA-N 0 0 308.815 3.930 40 0 DHABRN CCCSc1nnc(-c2ccc(Cl)cc2)n1CCOC ZINC000033747990 563923066 /nfs/dbraw/zinc/92/30/66/563923066.db2.gz ALJOBWASEAOEEJ-UHFFFAOYSA-N 0 0 311.838 3.747 40 0 DHABRN CO[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000060960879 563923312 /nfs/dbraw/zinc/92/33/12/563923312.db2.gz CWFSKZIARJBQTP-FQEVSTJZSA-N 0 0 323.436 3.855 40 0 DHABRN CCOC(=O)C[C@H](n1ccc(-c2ccccc2)n1)C(F)(F)F ZINC000685936566 563926817 /nfs/dbraw/zinc/92/68/17/563926817.db2.gz GYVZVBBDHIJUPB-ZDUSSCGKSA-N 0 0 312.291 3.607 40 0 DHABRN O=Cc1ccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000685936084 563926912 /nfs/dbraw/zinc/92/69/12/563926912.db2.gz DFJUGMKHCYMSMT-UHFFFAOYSA-N 0 0 322.208 3.782 40 0 DHABRN OCc1cc(C(F)(F)F)nc2ccc(Br)cc12 ZINC000685936940 563926998 /nfs/dbraw/zinc/92/69/98/563926998.db2.gz GFXKAYWCNNMGPX-UHFFFAOYSA-N 0 0 306.081 3.508 40 0 DHABRN Clc1ncnc2nc(-c3ccc(Br)cc3)cnc12 ZINC000225740895 563938682 /nfs/dbraw/zinc/93/86/82/563938682.db2.gz KVQBKOUQRBBSMB-UHFFFAOYSA-N 0 0 321.565 3.503 40 0 DHABRN COP(=O)(OC)[C@H](O)/C=C(\Cl)c1ccc(Cl)cc1 ZINC000002556209 563939023 /nfs/dbraw/zinc/93/90/23/563939023.db2.gz CNONALSSANSMRX-BRNRAETOSA-N 0 0 311.101 3.724 40 0 DHABRN COC(=O)c1ccc(CSc2nncc3ccccc32)cc1 ZINC000002699485 563940418 /nfs/dbraw/zinc/94/04/18/563940418.db2.gz QCCNEIJOODWUQD-UHFFFAOYSA-N 0 0 310.378 3.709 40 0 DHABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC3CC3)n2)cc1 ZINC000328957943 563960165 /nfs/dbraw/zinc/96/01/65/563960165.db2.gz AMMKKXRIFUBAID-UHFFFAOYSA-N 0 0 317.396 4.165 40 0 DHABRN COc1ccc(C[C@@H]2CCCN=C2c2cccnc2)c(OC)c1 ZINC000049808162 563961573 /nfs/dbraw/zinc/96/15/73/563961573.db2.gz ODLOPYOPLAYOCA-HNNXBMFYSA-N 0 0 310.397 3.541 40 0 DHABRN C[C@@H]1C[C@@H]1c1ccc(CNCc2nnc(C(C)(C)C)s2)o1 ZINC000268245143 563961631 /nfs/dbraw/zinc/96/16/31/563961631.db2.gz XYNVEAQCFLMFOE-PWSUYJOCSA-N 0 0 305.447 3.842 40 0 DHABRN Nc1ccnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167752576 563961748 /nfs/dbraw/zinc/96/17/48/563961748.db2.gz ZQQPCAIOYSSVFS-UHFFFAOYSA-N 0 0 309.213 3.551 40 0 DHABRN COC(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1C ZINC000044625709 568412998 /nfs/dbraw/zinc/41/29/98/568412998.db2.gz WWHFIEPCHIVMNG-UHFFFAOYSA-N 0 0 317.772 3.616 40 0 DHABRN COc1cccc(CCCNC(=O)Cc2ccc(Cl)cc2)c1 ZINC000066436335 568413413 /nfs/dbraw/zinc/41/34/13/568413413.db2.gz TVFGONDSPLYDTB-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN CCCOC(=O)OCCC(F)(F)C(F)(F)Br ZINC000169795828 568414440 /nfs/dbraw/zinc/41/44/40/568414440.db2.gz WVPQYVMXRHQEJC-UHFFFAOYSA-N 0 0 311.069 3.563 40 0 DHABRN COc1ccc(OC)c(NC(=S)Nc2ccc(C)cc2F)c1 ZINC000071326057 1014167366 /nfs/dbraw/zinc/16/73/66/1014167366.db2.gz YIAQKNJUODAOSA-UHFFFAOYSA-N 0 0 320.389 3.960 40 0 DHABRN O=C1S/C(=C\c2ccc[nH]2)C(=O)N1c1ccc(Cl)cc1 ZINC000210201444 1019318320 /nfs/dbraw/zinc/31/83/20/1019318320.db2.gz SEGQNQKZEPOMED-WQLSENKSSA-N 0 0 304.758 3.909 40 0 DHABRN CC(C)c1cnc(NC(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)s1 ZINC000192390494 1022012927 /nfs/dbraw/zinc/01/29/27/1022012927.db2.gz ITKPYVHQWXZMCT-RKDXNWHRSA-N 0 0 305.407 3.757 40 0 DHABRN COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1nc(C)cs1 ZINC000057152845 1022051141 /nfs/dbraw/zinc/05/11/41/1022051141.db2.gz PEXJMAIKFUFWDZ-CYBMUJFWSA-N 0 0 316.426 3.909 40 0 DHABRN COc1ccc2oc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2c1 ZINC000041306371 1022480874 /nfs/dbraw/zinc/48/08/74/1022480874.db2.gz CGJOBIDCKKGKFF-UHFFFAOYSA-N 0 0 324.336 3.652 40 0 DHABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccco1 ZINC000020139713 1022974885 /nfs/dbraw/zinc/97/48/85/1022974885.db2.gz DZJIBWIAMOZNSP-UHFFFAOYSA-N 0 0 317.728 3.938 40 0 DHABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccco1 ZINC000020139701 1022976134 /nfs/dbraw/zinc/97/61/34/1022976134.db2.gz SRRNDLUDQCQVGM-UHFFFAOYSA-N 0 0 317.728 3.938 40 0 DHABRN CC(C)(C)NC(=S)Nc1ccc(Br)cc1F ZINC000054922426 1023806459 /nfs/dbraw/zinc/80/64/59/1023806459.db2.gz WIYZLEBMXFSDRI-UHFFFAOYSA-N 0 0 305.216 3.673 40 0 DHABRN Cc1cc(C)c2cc(Br)c(Br)nc2n1 ZINC000008409904 1024504008 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CC[C@@H](CNC(=S)Nc1ncccc1C)Cc1ccccc1 ZINC000225633696 186285476 /nfs/dbraw/zinc/28/54/76/186285476.db2.gz PXYTWDQVXHBZQF-OAHLLOKOSA-N 0 0 313.470 3.945 40 0 DHABRN CC[C@@H](CNC(=S)Nc1cc(C)ccn1)Cc1ccccc1 ZINC000225633918 186285615 /nfs/dbraw/zinc/28/56/15/186285615.db2.gz IJWBYRGYGODTGI-OAHLLOKOSA-N 0 0 313.470 3.945 40 0 DHABRN Cc1cc(C)c(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1C ZINC000225651542 186286629 /nfs/dbraw/zinc/28/66/29/186286629.db2.gz PJYLTAVLGZZSAV-UHFFFAOYSA-N 0 0 322.408 3.991 40 0 DHABRN CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C ZINC000225645364 186286746 /nfs/dbraw/zinc/28/67/46/186286746.db2.gz JOIYOSKMQZXBHE-SCLBCKFNSA-N 0 0 305.418 3.926 40 0 DHABRN Cc1ccc(CN(C)C(=O)COc2cccc3c2CCCC3)cc1 ZINC000225678523 186288578 /nfs/dbraw/zinc/28/85/78/186288578.db2.gz RQTONXPVAYAEOP-UHFFFAOYSA-N 0 0 323.436 3.911 40 0 DHABRN CCOc1ccc(C(=O)NCCCc2ccco2)cc1Cl ZINC000225683799 186288670 /nfs/dbraw/zinc/28/86/70/186288670.db2.gz BHVDWNQFPRIPEA-UHFFFAOYSA-N 0 0 307.777 3.694 40 0 DHABRN 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3.504 40 0 DHABRN Cc1ccccc1NC(=S)NC(=O)C=Cc1cccs1 ZINC000000362947 180766869 /nfs/dbraw/zinc/76/68/69/180766869.db2.gz MZBSMFCTJMDZNA-CMDGGOBGSA-N 0 0 302.424 3.583 40 0 DHABRN CCN(CC)C(=O)CSCc1ccc(Br)cc1 ZINC000000582892 180826203 /nfs/dbraw/zinc/82/62/03/180826203.db2.gz SCGMZNFCUGZMNI-UHFFFAOYSA-N 0 0 316.264 3.551 40 0 DHABRN CCOC(=O)c1cc2sc(C)cc2n1CC(=O)C(C)(C)C ZINC000001338226 180855664 /nfs/dbraw/zinc/85/56/64/180855664.db2.gz WACVIHUXIMJFLW-UHFFFAOYSA-N 0 0 307.415 3.803 40 0 DHABRN CCCOc1cc2c(cc1Cc1ccc3c(c1)OCO3)OCO2 ZINC000001582411 180875639 /nfs/dbraw/zinc/87/56/39/180875639.db2.gz NPAWUTKQIOBBSN-UHFFFAOYSA-N 0 0 314.337 3.524 40 0 DHABRN O[C@H](c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001609565 180878597 /nfs/dbraw/zinc/87/85/97/180878597.db2.gz AXNMHLKVDSMYSA-SSDOTTSWSA-N 0 0 304.398 3.853 40 0 DHABRN Cc1cc2c(c(C(N)=O)c1C)-c1cc(Cl)cc(Cl)c1C2=O ZINC000001624689 180880766 /nfs/dbraw/zinc/88/07/66/180880766.db2.gz DZCZMOGKNUULEW-UHFFFAOYSA-N 0 0 320.175 3.921 40 0 DHABRN 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MTNVLDROQYGFMD-IBGZPJMESA-N 0 0 321.380 3.854 40 0 DHABRN COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004628424 181130886 /nfs/dbraw/zinc/13/08/86/181130886.db2.gz UHVVEARQIVVNGF-QJPTWQEYSA-N 0 0 307.415 3.526 40 0 DHABRN CCOc1ccccc1C(=S)NCc1ccc(OC)cc1 ZINC000004745140 181147100 /nfs/dbraw/zinc/14/71/00/181147100.db2.gz BVOCZXHDKCSYEJ-UHFFFAOYSA-N 0 0 301.411 3.559 40 0 DHABRN COC1=CCC2=C(CC[C@H]3[C@@H]4C[C@](C)(O)[C@H](O)[C@@]4(C)CC[C@H]23)C1 ZINC000004758554 181148809 /nfs/dbraw/zinc/14/88/09/181148809.db2.gz JDNSLVADAHWSEE-NADOGSGZSA-N 0 0 318.457 3.565 40 0 in-vitro DHABRN CCCCNC(=O)CSc1nc(CCC)nc2ccccc21 ZINC000004936543 181174874 /nfs/dbraw/zinc/17/48/74/181174874.db2.gz MNVBWFKNPKNXLH-UHFFFAOYSA-N 0 0 317.458 3.591 40 0 DHABRN Cc1cccc2nc(-c3cc(N)cc(Br)c3O)oc21 ZINC000073634581 191332642 /nfs/dbraw/zinc/33/26/42/191332642.db2.gz HAAKWYUPIORRNR-UHFFFAOYSA-N 0 0 319.158 3.854 40 0 DHABRN Cn1c(CNC(=O)c2cccs2)cc2cc(Cl)ccc21 ZINC000004973500 181182158 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40 0 DHABRN CC(=O)Oc1ccc(C)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000021126066 182265829 /nfs/dbraw/zinc/26/58/29/182265829.db2.gz PXXPDIAEZQPLCL-UHFFFAOYSA-N 0 0 317.772 3.755 40 0 DHABRN O=C(Nc1nncs1)c1ccc(-c2ccccc2Cl)o1 ZINC000021214463 182269469 /nfs/dbraw/zinc/26/94/69/182269469.db2.gz YNKSUYGKPDYHDH-UHFFFAOYSA-N 0 0 305.746 3.704 40 0 DHABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(N)cc1Cl ZINC000021517563 182278052 /nfs/dbraw/zinc/27/80/52/182278052.db2.gz LNDNFPYFZRHULC-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN O=Cc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000022120856 182309209 /nfs/dbraw/zinc/30/92/09/182309209.db2.gz IFYTZCHEIAERAR-UHFFFAOYSA-N 0 0 314.728 3.782 40 0 DHABRN COc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000022250530 182315755 /nfs/dbraw/zinc/31/57/55/182315755.db2.gz AJVVLAYYWHBJIE-NSHDSACASA-N 0 0 319.788 3.848 40 0 DHABRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 ZINC000022346120 182319495 /nfs/dbraw/zinc/31/94/95/182319495.db2.gz AWJQHUSRHUQUAI-OALUTQOASA-N 0 0 317.388 3.937 40 0 DHABRN CCCCNC(=O)c1sc(N(C)c2ccccc2)nc1C ZINC000022237606 182314384 /nfs/dbraw/zinc/31/43/84/182314384.db2.gz KRGMLSAWHIEKSH-UHFFFAOYSA-N 0 0 303.431 3.749 40 0 DHABRN CCc1ccc([C@H](C)NC(=O)COc2ccccc2F)cc1 ZINC000022743687 182332553 /nfs/dbraw/zinc/33/25/53/182332553.db2.gz YRTMMFWIDIKHQY-ZDUSSCGKSA-N 0 0 301.361 3.644 40 0 DHABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C ZINC000022464582 182323174 /nfs/dbraw/zinc/32/31/74/182323174.db2.gz XFEIEQPJDFXTFP-UHFFFAOYSA-N 0 0 322.408 3.792 40 0 DHABRN CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(C)cc1 ZINC000022843026 182336990 /nfs/dbraw/zinc/33/69/90/182336990.db2.gz SHFYYVBFKMPRPS-INIZCTEOSA-N 0 0 321.417 3.872 40 0 DHABRN CCSc1ccccc1C(=O)NCCOc1cccc(C)c1 ZINC000023693445 182366517 /nfs/dbraw/zinc/36/65/17/182366517.db2.gz GEMKUMICCZYVPW-UHFFFAOYSA-N 0 0 315.438 3.916 40 0 DHABRN CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 ZINC000027525888 182474769 /nfs/dbraw/zinc/47/47/69/182474769.db2.gz SXXSXXICJDGGTO-MRXNPFEDSA-N 0 0 324.409 3.692 40 0 DHABRN Cc1ccnc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 ZINC000027974653 182501058 /nfs/dbraw/zinc/50/10/58/182501058.db2.gz CTJREPYORUPPSB-AWEZNQCLSA-N 0 0 306.365 3.949 40 0 DHABRN Cc1nccn1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000028245130 182516919 /nfs/dbraw/zinc/51/69/19/182516919.db2.gz BJYXWUFILFJLLD-RTBURBONSA-N 0 0 317.392 3.923 40 0 DHABRN Cc1cccc(Cn2cc(NC(=O)Nc3ccccc3)cn2)c1 ZINC000028579737 182530378 /nfs/dbraw/zinc/53/03/78/182530378.db2.gz WOUJWWKHBAYWDW-UHFFFAOYSA-N 0 0 306.369 3.884 40 0 DHABRN CC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030754505 182597445 /nfs/dbraw/zinc/59/74/45/182597445.db2.gz ZXEVWDMBXFAXCP-HNNXBMFYSA-N 0 0 308.425 3.778 40 0 DHABRN CCOc1cccc(CNC(=O)CSc2ccc(C)cc2)c1 ZINC000030847507 182598923 /nfs/dbraw/zinc/59/89/23/182598923.db2.gz CEHKYBYMVLCCHB-UHFFFAOYSA-N 0 0 315.438 3.802 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c1C ZINC000030847831 182599243 /nfs/dbraw/zinc/59/92/43/182599243.db2.gz FAWRATINWYJJIG-LBPRGKRZSA-N 0 0 305.324 3.988 40 0 DHABRN COc1ccc(COC(=N)C(Cl)(Cl)Cl)cc1OC ZINC000035063437 182750892 /nfs/dbraw/zinc/75/08/92/182750892.db2.gz OGXPSAUIWRKNQB-UHFFFAOYSA-N 0 0 312.580 3.568 40 0 DHABRN Cc1ccc(N[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c(C)c1 ZINC000036635471 182832177 /nfs/dbraw/zinc/83/21/77/182832177.db2.gz IIAKMXRXYISTGM-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN Fc1ccc(Br)cc1Nc1cc(Cl)ncn1 ZINC000038579867 183003054 /nfs/dbraw/zinc/00/30/54/183003054.db2.gz MOJMGCMQMYUYMT-UHFFFAOYSA-N 0 0 302.534 3.775 40 0 DHABRN O=C(Nc1nnc(-c2ccccc2)s1)C(Cl)(Cl)Cl ZINC000039745493 183021748 /nfs/dbraw/zinc/02/17/48/183021748.db2.gz RTGNWLOJGOMWBK-UHFFFAOYSA-N 0 0 322.604 3.514 40 0 DHABRN CN(C)c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000039953927 183023801 /nfs/dbraw/zinc/02/38/01/183023801.db2.gz RNPOQHPRMOPDKW-UHFFFAOYSA-N 0 0 320.433 3.531 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](COc2ccc(Cl)cc2)C1 ZINC000039954529 183024616 /nfs/dbraw/zinc/02/46/16/183024616.db2.gz XYXQKISHQRBIIY-GFCCVEGCSA-N 0 0 311.809 3.976 40 0 DHABRN COc1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000040162420 183041943 /nfs/dbraw/zinc/04/19/43/183041943.db2.gz UIZCNMIQJMIHNN-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN COc1ccc(C)cc1[C@@H](O)c1ccc(Br)cc1 ZINC000040263928 183049382 /nfs/dbraw/zinc/04/93/82/183049382.db2.gz HECOKVWXLLDORV-HNNXBMFYSA-N 0 0 307.187 3.848 40 0 DHABRN COc1ccc(OC)c([C@H](O)c2cccc(Br)c2)c1 ZINC000040244812 183049120 /nfs/dbraw/zinc/04/91/20/183049120.db2.gz ODLHHCLUYDGBHN-OAHLLOKOSA-N 0 0 323.186 3.548 40 0 DHABRN CCc1ccccc1NC(=O)c1ccc(Br)c(N)c1 ZINC000040294659 183051919 /nfs/dbraw/zinc/05/19/19/183051919.db2.gz BRSXJSFONDJKKV-UHFFFAOYSA-N 0 0 319.202 3.846 40 0 DHABRN Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1C ZINC000040293564 183052367 /nfs/dbraw/zinc/05/23/67/183052367.db2.gz WIHMRCOGDWNSLY-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN O=C(c1cccc2c(Br)cccc12)N1CCCC1 ZINC000041127282 183169520 /nfs/dbraw/zinc/16/95/20/183169520.db2.gz MJSGXLAIHYGXHA-UHFFFAOYSA-N 0 0 304.187 3.838 40 0 DHABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1C ZINC000041889919 183223644 /nfs/dbraw/zinc/22/36/44/183223644.db2.gz UUABJNNIPKDEOU-UHFFFAOYSA-N 0 0 310.397 3.694 40 0 DHABRN Fc1ccccc1CN(CCCn1ccnc1)Cc1cccnc1 ZINC000043277827 183350818 /nfs/dbraw/zinc/35/08/18/183350818.db2.gz MKHYURZEBMSGLI-UHFFFAOYSA-N 0 0 324.403 3.510 40 0 DHABRN CCOc1cccc(CNC(=S)Nc2cccc(C)c2)c1 ZINC000044155685 183396532 /nfs/dbraw/zinc/39/65/32/183396532.db2.gz OMJVRQDNJBLFEA-UHFFFAOYSA-N 0 0 300.427 3.880 40 0 DHABRN [NH3+][C@@H](CC(=O)[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000044216541 183398733 /nfs/dbraw/zinc/39/87/33/183398733.db2.gz FJWMZWXCCYEGIP-JTQLQIEISA-N 0 0 300.141 3.728 40 0 DHABRN CC(C)Oc1ccc(CNC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000044903770 183454007 /nfs/dbraw/zinc/45/40/07/183454007.db2.gz XPOFHKXSIPXQFD-KPKJPENVSA-N 0 0 313.372 3.943 40 0 DHABRN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3cc(C)c2=O)c1 ZINC000044804507 183439755 /nfs/dbraw/zinc/43/97/55/183439755.db2.gz DYWOMWDVBHLWNX-UHFFFAOYSA-N 0 0 320.392 3.565 40 0 DHABRN CC(C)c1ccccc1OCCNC(=O)c1ccccc1F ZINC000110509211 194336076 /nfs/dbraw/zinc/33/60/76/194336076.db2.gz JGAQKQWFBJYXDP-UHFFFAOYSA-N 0 0 301.361 3.758 40 0 DHABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(F)c1 ZINC000056340453 184010628 /nfs/dbraw/zinc/01/06/28/184010628.db2.gz QHSRDTJACZPLGE-UHFFFAOYSA-N 0 0 314.360 3.560 40 0 DHABRN COc1ccc(CC(=O)NC(C)(C)CC(C)(C)C)cc1OC ZINC000057156182 184028695 /nfs/dbraw/zinc/02/86/95/184028695.db2.gz SCFSWSIXVBJPRG-UHFFFAOYSA-N 0 0 307.434 3.577 40 0 DHABRN Clc1ccc(Cc2nc3cc(-n4cnnc4)ccc3o2)cc1 ZINC000057326750 184033425 /nfs/dbraw/zinc/03/34/25/184033425.db2.gz NDYAIUZTZNEQIJ-UHFFFAOYSA-N 0 0 310.744 3.653 40 0 DHABRN COc1c(Cl)cc(C(=O)Nc2cccc(N)c2)cc1Cl ZINC000057340208 184033811 /nfs/dbraw/zinc/03/38/11/184033811.db2.gz UTJCYVYEGRIBGB-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN Cc1cc(C)c(OCC(=O)Nc2cccc(N)c2)c(Cl)c1 ZINC000057340366 184033912 /nfs/dbraw/zinc/03/39/12/184033912.db2.gz LXNKOJXWZRTYAD-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN CC[C@H](C)NC(=S)Nc1ccc(Br)cc1F ZINC000059115077 184134732 /nfs/dbraw/zinc/13/47/32/184134732.db2.gz OPURFUKFAFBKDI-ZETCQYMHSA-N 0 0 305.216 3.673 40 0 DHABRN CCCC[C@H](CC)CNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000059244748 184136094 /nfs/dbraw/zinc/13/60/94/184136094.db2.gz NNNWJMDVNOQUEZ-ZDUSSCGKSA-N 0 0 317.882 3.976 40 0 DHABRN COc1ccc(CSCC(=O)Nc2ccccc2OC)cc1 ZINC000059503550 184139125 /nfs/dbraw/zinc/13/91/25/184139125.db2.gz KUTQFNCMUORVHS-UHFFFAOYSA-N 0 0 317.410 3.576 40 0 DHABRN COc1cccc(NC(=O)N[C@@H](C)COc2ccc(C)cc2)c1 ZINC000062648386 184246780 /nfs/dbraw/zinc/24/67/80/184246780.db2.gz YNDFIYGSOHEOMD-AWEZNQCLSA-N 0 0 314.385 3.593 40 0 DHABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)cc1 ZINC000064476759 184298041 /nfs/dbraw/zinc/29/80/41/184298041.db2.gz NVVFOHOSZZVRAH-UHFFFAOYSA-N 0 0 321.467 3.850 40 0 DHABRN CSc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1 ZINC000064476785 184298121 /nfs/dbraw/zinc/29/81/21/184298121.db2.gz NTRAYDYFLPXGKM-UHFFFAOYSA-N 0 0 321.467 3.850 40 0 DHABRN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 ZINC000008050112 256522238 /nfs/dbraw/zinc/52/22/38/256522238.db2.gz DKPZQIQZWMTQNU-HNNXBMFYSA-N 0 0 311.381 3.912 40 0 DHABRN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)nc1 ZINC000225886599 256597758 /nfs/dbraw/zinc/59/77/58/256597758.db2.gz AIDDAICLFPNEIP-KRWDZBQOSA-N 0 0 308.422 3.794 40 0 DHABRN CCN(C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212813 257127082 /nfs/dbraw/zinc/12/70/82/257127082.db2.gz PLBCKHXHEPGJCK-GOSISDBHSA-N 0 0 323.440 3.905 40 0 DHABRN CCOc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072211808 257127250 /nfs/dbraw/zinc/12/72/50/257127250.db2.gz QVLZNGAVOWEPNQ-CQSZACIVSA-N 0 0 306.406 3.942 40 0 DHABRN CNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072212471 257127456 /nfs/dbraw/zinc/12/74/56/257127456.db2.gz UVWPGTNVXQUVCJ-INIZCTEOSA-N 0 0 311.385 3.597 40 0 DHABRN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000059227321 257217214 /nfs/dbraw/zinc/21/72/14/257217214.db2.gz OLEWWVKENHHGQP-INIZCTEOSA-N 0 0 322.408 3.549 40 0 DHABRN O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000006320903 257218429 /nfs/dbraw/zinc/21/84/29/257218429.db2.gz ZAWFWCSINCOYFF-UHFFFAOYSA-N 0 0 320.172 3.933 40 0 DHABRN CCOC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 ZINC000000561019 257219692 /nfs/dbraw/zinc/21/96/92/257219692.db2.gz XGUOTOWKOKWXAL-UHFFFAOYSA-N 0 0 313.397 3.967 40 0 DHABRN CCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1OCC ZINC000409377695 257219985 /nfs/dbraw/zinc/21/99/85/257219985.db2.gz KMVXUIYCRVRJCV-UHFFFAOYSA-N 0 0 311.809 3.764 40 0 DHABRN CCCN1C(=O)N/C(=C/c2c(OCC)ccc3ccccc32)C1=O ZINC000409246847 257220289 /nfs/dbraw/zinc/22/02/89/257220289.db2.gz FIEZFEAISNAQQT-FOWTUZBSSA-N 0 0 324.380 3.541 40 0 DHABRN CCCCCN1C(=O)S/C(=C\c2ccc(O)c(OC)c2)C1=O ZINC000409202779 257220802 /nfs/dbraw/zinc/22/08/02/257220802.db2.gz UTMLGFANMVNZLI-UVTDQMKNSA-N 0 0 321.398 3.627 40 0 DHABRN Cc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1C ZINC000409195222 257221467 /nfs/dbraw/zinc/22/14/67/257221467.db2.gz NQCAIKMKLRRANK-UHFFFAOYSA-N 0 0 308.425 3.875 40 0 DHABRN CO[C@H](C(=O)NCCSC1CCCCC1)c1ccccc1 ZINC000409025992 257224339 /nfs/dbraw/zinc/22/43/39/257224339.db2.gz CYKDBUXZHIVBJA-INIZCTEOSA-N 0 0 307.459 3.556 40 0 DHABRN CC(C)c1ccccc1NC(=O)C(=O)NCCC1CCCCC1 ZINC000408708729 257228098 /nfs/dbraw/zinc/22/80/98/257228098.db2.gz LQLFESXAGRDDQA-UHFFFAOYSA-N 0 0 316.445 3.835 40 0 DHABRN Cc1ccc(-c2nnc(SC(=O)Cc3ccccc3)o2)cc1 ZINC000408599146 257229370 /nfs/dbraw/zinc/22/93/70/257229370.db2.gz FIAUEAFDTJDDLE-UHFFFAOYSA-N 0 0 310.378 3.906 40 0 DHABRN S=C(NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000408573823 257229843 /nfs/dbraw/zinc/22/98/43/257229843.db2.gz KUYOMKVDXFIXIE-UHFFFAOYSA-N 0 0 305.786 3.534 40 0 DHABRN CCCOc1ccc(C(=S)NCc2ccccc2OC)cc1 ZINC000408572166 257229892 /nfs/dbraw/zinc/22/98/92/257229892.db2.gz FMEDCQATVCOPPX-UHFFFAOYSA-N 0 0 315.438 3.949 40 0 DHABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccccc1 ZINC000224341797 257232961 /nfs/dbraw/zinc/23/29/61/257232961.db2.gz XKCZVONMILRYFQ-MRXNPFEDSA-N 0 0 323.436 3.692 40 0 DHABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccccc1 ZINC000224341850 257233045 /nfs/dbraw/zinc/23/30/45/257233045.db2.gz XKCZVONMILRYFQ-INIZCTEOSA-N 0 0 323.436 3.692 40 0 DHABRN Cc1ccc([C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000514250860 257215307 /nfs/dbraw/zinc/21/53/07/257215307.db2.gz QEIKBFNVOBKPEO-FQEVSTJZSA-N 0 0 309.409 3.613 40 0 DHABRN C/C(=C\c1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000005826220 533410390 /nfs/dbraw/zinc/41/03/90/533410390.db2.gz ITKPHJJQDYEBHG-FOCLMDBBSA-N 0 0 324.399 3.578 40 0 DHABRN COc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000005586760 134472324 /nfs/dbraw/zinc/47/23/24/134472324.db2.gz NKCANXXWHDYIFU-UHFFFAOYSA-N 0 0 310.397 3.938 40 0 DHABRN Cc1ccc(C)c(Nc2cc(Cl)nc(-c3ccncc3)n2)c1 ZINC000328956972 533676961 /nfs/dbraw/zinc/67/69/61/533676961.db2.gz AHSIDMCDLSMUIM-UHFFFAOYSA-N 0 0 310.788 3.974 40 0 DHABRN CCc1nn(Cc2ccccc2)c(C(N)=O)c1-c1cccc(C)c1 ZINC000228947301 262505488 /nfs/dbraw/zinc/50/54/88/262505488.db2.gz ZJKWPVCJPKUSLN-UHFFFAOYSA-N 0 0 319.408 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Cc1nc2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2n1C ZINC000225893480 563766467 /nfs/dbraw/zinc/76/64/67/563766467.db2.gz UONQPWIVGCVTGE-LLVKDONJSA-N 0 0 311.360 3.512 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cn1 ZINC000225889070 563766642 /nfs/dbraw/zinc/76/66/42/563766642.db2.gz MIKQXRSLESVUEV-KDOFPFPSSA-N 0 0 320.433 3.794 40 0 DHABRN CCCO[C@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@H](C)C1 ZINC000225910956 563767238 /nfs/dbraw/zinc/76/72/38/563767238.db2.gz MBKUBTMFPIPDBY-SCLBCKFNSA-N 0 0 320.433 3.713 40 0 DHABRN CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cn1 ZINC000225899925 563767293 /nfs/dbraw/zinc/76/72/93/563767293.db2.gz CFXVBFSXKUWWLO-RDTXWAMCSA-N 0 0 320.433 3.794 40 0 DHABRN Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@@H](CCCO)C2 ZINC000256050010 563788983 /nfs/dbraw/zinc/78/89/83/563788983.db2.gz CHJLUEUYFAAVHZ-AWEZNQCLSA-N 0 0 305.418 3.681 40 0 DHABRN O=C(CC1CC1)N1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257212611 563790614 /nfs/dbraw/zinc/79/06/14/563790614.db2.gz CEFJUFKESNUURA-OAHLLOKOSA-N 0 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320.396 3.817 40 0 DHABRN Fc1ccc(I)c(C(F)(F)F)c1F ZINC000263620155 563886243 /nfs/dbraw/zinc/88/62/43/563886243.db2.gz BBNLTTHZNFOIQW-UHFFFAOYSA-N 0 0 307.987 3.588 40 0 DHABRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc2oc(=O)ccc2c1 ZINC000054253953 563888259 /nfs/dbraw/zinc/88/82/59/563888259.db2.gz MJJVZWVJDKKFDF-YCRREMRBSA-N 0 0 309.296 3.584 40 0 DHABRN Cc1cc2nc(-c3cc(-n4cnnc4)cc(C)c3O)oc2c(C)c1 ZINC000045920580 563889079 /nfs/dbraw/zinc/88/90/79/563889079.db2.gz WXCBVJYNGPIWIF-UHFFFAOYSA-N 0 0 320.352 3.706 40 0 DHABRN NC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1Cl ZINC000045923332 563889105 /nfs/dbraw/zinc/88/91/05/563889105.db2.gz SEPGMQUKDMJJBD-UHFFFAOYSA-N 0 0 306.749 3.855 40 0 DHABRN O=c1[nH]cncc1-c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000096312730 563891784 /nfs/dbraw/zinc/89/17/84/563891784.db2.gz ZKAGHYULBDGCBS-UHFFFAOYSA-N 0 0 312.756 3.669 40 0 DHABRN CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1 ZINC000000410331 563915425 /nfs/dbraw/zinc/91/54/25/563915425.db2.gz UVIRHXQHFGBHNA-UHFFFAOYSA-N 0 0 319.411 3.595 40 0 DHABRN Cc1cccc(N2C[C@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)c1 ZINC000007929079 563922094 /nfs/dbraw/zinc/92/20/94/563922094.db2.gz FPVHKEAOWHVVBW-MRXNPFEDSA-N 0 0 323.392 3.570 40 0 DHABRN CCc1ccc(CCC(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000010331453 563922554 /nfs/dbraw/zinc/92/25/54/563922554.db2.gz FXXOGZBKGZUXIB-UHFFFAOYSA-N 0 0 311.381 3.607 40 0 DHABRN CC(=O)O[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 ZINC000017323385 563922783 /nfs/dbraw/zinc/92/27/83/563922783.db2.gz GFPFWODQGPZXMQ-JAZQRGJZSA-N 0 0 314.425 3.980 40 0 DHABRN O=C(Sc1nnc(Cc2ccc(Cl)cc2)o1)c1ccco1 ZINC000033803452 563923156 /nfs/dbraw/zinc/92/31/56/563923156.db2.gz FNFDXHLDCDORGB-UHFFFAOYSA-N 0 0 320.757 3.839 40 0 DHABRN CCOC(=O)[C@H](c1ccccc1)P(=O)(OCC)OCC ZINC000001737248 563924893 /nfs/dbraw/zinc/92/48/93/563924893.db2.gz VATZVSVTINADGG-ZDUSSCGKSA-N 0 0 300.291 3.557 40 0 DHABRN CCOC(=O)c1cc(Br)c2cccc(Cl)c2n1 ZINC000685937316 563927064 /nfs/dbraw/zinc/92/70/64/563927064.db2.gz OSGLIADJZAKFLU-UHFFFAOYSA-N 0 0 314.566 3.827 40 0 DHABRN CC(C)c1cc(N2C[C@@H](C)O[C@H](C)C2)nc2c(O)cccc12 ZINC000685938589 563927162 /nfs/dbraw/zinc/92/71/62/563927162.db2.gz WUOASZHNGDJSBY-CHWSQXEVSA-N 0 0 300.402 3.677 40 0 DHABRN O=C(Cc1nc2ccccc2n1C(F)(F)F)c1ccccc1 ZINC000028527002 563939586 /nfs/dbraw/zinc/93/95/86/563939586.db2.gz NJAHNFMOHRIRPG-UHFFFAOYSA-N 0 0 304.271 3.938 40 0 DHABRN O=C(Cc1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000002755958 563940545 /nfs/dbraw/zinc/94/05/45/563940545.db2.gz GMACYCAWPKNHAK-UHFFFAOYSA-N 0 0 308.150 3.769 40 0 DHABRN OCCn1c2ccccc2nc1SCc1ccccc1Cl ZINC000218825458 563945596 /nfs/dbraw/zinc/94/55/96/563945596.db2.gz IVPVMFNEBPHMDO-UHFFFAOYSA-N 0 0 318.829 3.974 40 0 DHABRN CC(C)(C)Nc1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000328995987 563959691 /nfs/dbraw/zinc/95/96/91/563959691.db2.gz JJRVSOBUPXSBOS-UHFFFAOYSA-N 0 0 319.412 4.493 40 0 DHABRN CC(C)Nc1nc(Nc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000329008547 563959858 /nfs/dbraw/zinc/95/98/58/563959858.db2.gz LSYHFIDMZAJAHQ-UHFFFAOYSA-N 0 0 314.286 4.198 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311.425 3.903 40 0 DHABRN Cc1cc(Cl)nc2c(I)cccc12 ZINC000575595537 1036059411 /nfs/dbraw/zinc/05/94/11/1036059411.db2.gz OIZVLCQMKPVFNM-UHFFFAOYSA-N 0 0 303.530 3.801 40 0 DHABRN COC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000225336753 201695671 /nfs/dbraw/zinc/69/56/71/201695671.db2.gz KJIXSSCSMJWPLL-UHFFFAOYSA-N 0 0 310.378 3.588 40 0 DHABRN O[C@H](c1cccc(Br)c1)c1cc(F)c(F)c(F)c1 ZINC000095730255 185383553 /nfs/dbraw/zinc/38/35/53/185383553.db2.gz PGXJCZZXUPZGLM-CYBMUJFWSA-N 0 0 317.104 3.948 40 0 DHABRN CC(C)(C)OC(=O)N1CCN(CC/C=C/c2ccccc2)CC1 ZINC000079438596 185171387 /nfs/dbraw/zinc/17/13/87/185171387.db2.gz VCJLQCBCXPIHIL-YRNVUSSQSA-N 0 0 316.445 3.643 40 0 DHABRN c1cc(CN2CCn3c(-c4ccsc4)cnc3C2)cs1 ZINC000306124182 231083453 /nfs/dbraw/zinc/08/34/53/231083453.db2.gz BIPYMFPISKNVJJ-UHFFFAOYSA-N 0 0 301.440 3.689 40 0 DHABRN Cn1ccc2c1CN(CC1CC1)Cc1cn(-c3ccccc3)nc1-2 ZINC000306138897 231090406 /nfs/dbraw/zinc/09/04/06/231090406.db2.gz SKISNESAAGNULU-UHFFFAOYSA-N 0 0 318.424 3.603 40 0 DHABRN O=c1nc(-c2ccncc2)[nH]c2sc3c(c21)CCCCCC3 ZINC000096903272 185390583 /nfs/dbraw/zinc/39/05/83/185390583.db2.gz QYYCMPMKLOCUIQ-UHFFFAOYSA-N 0 0 311.410 3.706 40 0 DHABRN Clc1cc(NCCc2ccccn2)nc(-c2ccccc2)n1 ZINC000317719093 231164119 /nfs/dbraw/zinc/16/41/19/231164119.db2.gz PYJSJKKIGJHYLL-UHFFFAOYSA-N 0 0 310.788 3.847 40 0 DHABRN Cc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1 ZINC000225777797 201744236 /nfs/dbraw/zinc/74/42/36/201744236.db2.gz GMCNWUJPASQDCL-UHFFFAOYSA-N 0 0 313.357 3.905 40 0 DHABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)nc1 ZINC000225897329 201761004 /nfs/dbraw/zinc/76/10/04/201761004.db2.gz KYXZCVMUXFKTTC-KRWDZBQOSA-N 0 0 308.422 3.794 40 0 DHABRN CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cn1 ZINC000225909484 201761693 /nfs/dbraw/zinc/76/16/93/201761693.db2.gz CXJNPTBHLBRNIR-UHFFFAOYSA-N 0 0 320.433 3.938 40 0 DHABRN CCCOC1(C(=O)Nc2ccc(OCC)nc2)CCCCCC1 ZINC000225910006 201762193 /nfs/dbraw/zinc/76/21/93/201762193.db2.gz QKGKIRIHMXVJSW-UHFFFAOYSA-N 0 0 320.433 3.938 40 0 DHABRN 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Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1C ZINC000225608929 186282720 /nfs/dbraw/zinc/28/27/20/186282720.db2.gz YQPDEAWSXOOEFY-AWEZNQCLSA-N 0 0 321.417 3.790 40 0 DHABRN Cc1ccc(CNC(=O)Cc2cccc(Br)c2)cc1 ZINC000225612994 186283105 /nfs/dbraw/zinc/28/31/05/186283105.db2.gz WBVIRQPXYVBDFK-UHFFFAOYSA-N 0 0 318.214 3.616 40 0 DHABRN CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)cc1 ZINC000225619710 186283683 /nfs/dbraw/zinc/28/36/83/186283683.db2.gz LATLIMNNBKEUAW-SFHVURJKSA-N 0 0 323.433 3.636 40 0 DHABRN Cc1cccc(CNC(=O)Cc2cccc(Br)c2)c1 ZINC000225617241 186284007 /nfs/dbraw/zinc/28/40/07/186284007.db2.gz AFAKZUIDBNIJQF-UHFFFAOYSA-N 0 0 318.214 3.616 40 0 DHABRN COC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCC1 ZINC000225626917 186284404 /nfs/dbraw/zinc/28/44/04/186284404.db2.gz PQXTYLLPYWSDNH-UHFFFAOYSA-N 0 0 305.418 3.928 40 0 DHABRN C[C@H](COc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2 ZINC000225634808 186285507 /nfs/dbraw/zinc/28/55/07/186285507.db2.gz WTDOHSWKWNOGNE-OAHLLOKOSA-N 0 0 309.409 3.763 40 0 DHABRN CC[C@@H](CNC(=S)Nc1ccc(C)cn1)Cc1ccccc1 ZINC000225633771 186285528 /nfs/dbraw/zinc/28/55/28/186285528.db2.gz HPRCRNBKHQADFZ-OAHLLOKOSA-N 0 0 313.470 3.945 40 0 DHABRN Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(F)c1 ZINC000225635488 186285620 /nfs/dbraw/zinc/28/56/20/186285620.db2.gz OHWRLFAKZXKQSX-CYBMUJFWSA-N 0 0 318.417 3.888 40 0 DHABRN COc1cccc(CCCNC(=O)c2cc(C)c(C)cc2C)c1 ZINC000225649078 186286713 /nfs/dbraw/zinc/28/67/13/186286713.db2.gz IEVVNBZEEGRRSD-UHFFFAOYSA-N 0 0 311.425 3.983 40 0 DHABRN CCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1Cl ZINC000225646497 186286737 /nfs/dbraw/zinc/28/67/37/186286737.db2.gz FVRHZHNXASTHPS-MRXNPFEDSA-N 0 0 311.809 3.882 40 0 DHABRN Cc1ccc(OCCNC(=O)CCc2ccc(C)c(C)c2)cc1 ZINC000225649363 186286904 /nfs/dbraw/zinc/28/69/04/186286904.db2.gz HAXVCOLEVGQOMJ-UHFFFAOYSA-N 0 0 311.425 3.740 40 0 DHABRN CCC(C)(C)NC(=S)Nc1ccc(OC)c2ncccc12 ZINC000225645773 186286922 /nfs/dbraw/zinc/28/69/22/186286922.db2.gz ADUUIRTZQJKODH-UHFFFAOYSA-N 0 0 303.431 3.718 40 0 DHABRN 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ZINC000016401619 182043700 /nfs/dbraw/zinc/04/37/00/182043700.db2.gz ZGWUSQMAPQHIRV-UHFFFAOYSA-N 0 0 310.180 3.981 40 0 DHABRN Ic1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000016525135 182048397 /nfs/dbraw/zinc/04/83/97/182048397.db2.gz WUYIWNAPTKDVCK-UHFFFAOYSA-N 0 0 320.133 3.835 40 0 DHABRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C)c(C)c1C ZINC000016780152 182060447 /nfs/dbraw/zinc/06/04/47/182060447.db2.gz PRSMANWZTXJYNC-INIZCTEOSA-N 0 0 317.454 3.960 40 0 DHABRN Cc1cc(S(=O)(=O)NC2CCCCCC2)c(C)c(C)c1C ZINC000016780114 182060660 /nfs/dbraw/zinc/06/06/60/182060660.db2.gz GGGWMZIBWXQAOC-UHFFFAOYSA-N 0 0 309.475 3.921 40 0 DHABRN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(C)c(C)c1C ZINC000016780073 182060929 /nfs/dbraw/zinc/06/09/29/182060929.db2.gz OLBITISXENOUQD-BDJLRTHQSA-N 0 0 309.475 3.777 40 0 DHABRN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c(C)c1C ZINC000016780075 182060981 /nfs/dbraw/zinc/06/09/81/182060981.db2.gz OLBITISXENOUQD-MEDUHNTESA-N 0 0 309.475 3.777 40 0 DHABRN Cc1ccc(C2=NN=C(N3CCCCC3)[C@H]3C=CC=C[C@@H]23)cc1 ZINC000016711635 182058748 /nfs/dbraw/zinc/05/87/48/182058748.db2.gz LMRZANAIQNLWBF-MSOLQXFVSA-N 0 0 305.425 3.956 40 0 DHABRN O=C1C[C@@H](c2cccs2)Cc2c1cnn2-c1ccccc1F ZINC000017032449 182070132 /nfs/dbraw/zinc/07/01/32/182070132.db2.gz MCKYNIHCZLWKJD-NSHDSACASA-N 0 0 312.369 3.986 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000017297308 182081605 /nfs/dbraw/zinc/08/16/05/182081605.db2.gz XVTHZTQWTROUJQ-AWEZNQCLSA-N 0 0 317.816 3.775 40 0 DHABRN C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 ZINC000017916562 182087559 /nfs/dbraw/zinc/08/75/59/182087559.db2.gz OJYSVBCSDPYYLW-CQSZACIVSA-N 0 0 323.371 3.562 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)COc1cc(C)cc(C)c1 ZINC000017970728 182089008 /nfs/dbraw/zinc/08/90/08/182089008.db2.gz KITNAPGUTVFKEL-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN CC(C)C(=O)N1CCCCC[C@@H]1c1cc(C(F)(F)F)nn1C ZINC000019085703 182104481 /nfs/dbraw/zinc/10/44/81/182104481.db2.gz MAWQUNNYRUEZKN-LLVKDONJSA-N 0 0 317.355 3.539 40 0 DHABRN COc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1Cl ZINC000019232706 182110360 /nfs/dbraw/zinc/11/03/60/182110360.db2.gz PQRDRURZBGVGQJ-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN Cc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)n1 ZINC000019236350 182110760 /nfs/dbraw/zinc/11/07/60/182110760.db2.gz MAPRUPBOQIPHJA-OAHLLOKOSA-N 0 0 315.467 3.982 40 0 DHABRN O=C1Oc2nc3ccccc3cc2CN1CCc1ccc(F)cc1 ZINC000019376296 182120840 /nfs/dbraw/zinc/12/08/40/182120840.db2.gz MYCARNDDVJLBNR-UHFFFAOYSA-N 0 0 322.339 3.931 40 0 DHABRN CC1CCN(C(=O)CCn2c(C(F)F)cc3cccnc32)CC1 ZINC000019496701 182125235 /nfs/dbraw/zinc/12/52/35/182125235.db2.gz LVKVJLOQUVHLNM-UHFFFAOYSA-N 0 0 321.371 3.623 40 0 DHABRN CCCN(C[C@H](C)O)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000019691516 182137370 /nfs/dbraw/zinc/13/73/70/182137370.db2.gz VPEAXOGUFMJYIQ-VIFPVBQESA-N 0 0 321.273 3.783 40 0 DHABRN Cc1nc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc2n1C ZINC000019656376 182134088 /nfs/dbraw/zinc/13/40/88/182134088.db2.gz NFWKOTJVDVPHLH-KRWDZBQOSA-N 0 0 319.408 3.511 40 0 DHABRN Cc1ncc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)n1 ZINC000019937164 182167361 /nfs/dbraw/zinc/16/73/61/182167361.db2.gz UKJJVXGUIYJNLI-UHFFFAOYSA-N 0 0 313.254 3.504 40 0 DHABRN COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020025460 182180577 /nfs/dbraw/zinc/18/05/77/182180577.db2.gz QSYASOPQMFUKBL-LLVKDONJSA-N 0 0 319.788 3.848 40 0 DHABRN COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1OC ZINC000020105810 182187084 /nfs/dbraw/zinc/18/70/84/182187084.db2.gz LUVKPZGGKCCKMI-UHFFFAOYSA-N 0 0 319.788 3.629 40 0 DHABRN Cc1cc(NC(N)=S)cc(-c2nc3ccccc3s2)c1O ZINC000020154657 182193330 /nfs/dbraw/zinc/19/33/30/182193330.db2.gz FDIMNGGZWRZWOT-UHFFFAOYSA-N 0 0 315.423 3.633 40 0 DHABRN Cc1c(N)cccc1C(=O)Nc1ccc(Br)cc1 ZINC000020194550 182196155 /nfs/dbraw/zinc/19/61/55/182196155.db2.gz OAWPCAAPQBPDKY-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CCCCOC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1 ZINC000020411454 182215414 /nfs/dbraw/zinc/21/54/14/182215414.db2.gz DLVCGGUYGUVTOJ-UHFFFAOYSA-N 0 0 320.414 3.848 40 0 DHABRN Cc1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)cc1C ZINC000020481758 182222136 /nfs/dbraw/zinc/22/21/36/182222136.db2.gz ZGUOMNGAAZXCDN-UHFFFAOYSA-N 0 0 317.816 3.994 40 0 DHABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCc3ccccc32)c1 ZINC000020482820 182223156 /nfs/dbraw/zinc/22/31/56/182223156.db2.gz SAKAMUZKWJRCBQ-MRXNPFEDSA-N 0 0 309.409 3.968 40 0 DHABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccc1 ZINC000020456352 182219604 /nfs/dbraw/zinc/21/96/04/182219604.db2.gz SDIQJAPWFPGPJG-KRWDZBQOSA-N 0 0 317.816 3.856 40 0 DHABRN COc1cccc(OC)c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000020459384 182220050 /nfs/dbraw/zinc/22/00/50/182220050.db2.gz ODWJGMLBLKIOBR-OAHLLOKOSA-N 0 0 311.381 3.511 40 0 DHABRN CCOc1ccccc1CNC(=O)CCSc1ccccc1 ZINC000020486805 182223947 /nfs/dbraw/zinc/22/39/47/182223947.db2.gz YSURHHDOBMJNGM-UHFFFAOYSA-N 0 0 315.438 3.884 40 0 DHABRN Cc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 ZINC000020520932 182226408 /nfs/dbraw/zinc/22/64/08/182226408.db2.gz LFFVQQCLLAFUQH-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CCc1ccc([C@@H](C)NC(=O)COc2ccc(OC)cc2)cc1 ZINC000021320074 182271352 /nfs/dbraw/zinc/27/13/52/182271352.db2.gz FJPGFTYMCSSDHB-CQSZACIVSA-N 0 0 313.397 3.514 40 0 DHABRN C[C@@H](NC(=O)Cc1cccs1)c1cccc(Br)c1 ZINC000022250555 182315998 /nfs/dbraw/zinc/31/59/98/182315998.db2.gz DSYWHLIAZVYXDJ-SNVBAGLBSA-N 0 0 324.243 3.931 40 0 DHABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)NCCC(C)C ZINC000022245462 182315256 /nfs/dbraw/zinc/31/52/56/182315256.db2.gz IXIWDJLUIBAIFJ-UHFFFAOYSA-N 0 0 317.458 3.995 40 0 DHABRN Cc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022540286 182325734 /nfs/dbraw/zinc/32/57/34/182325734.db2.gz QZOMQSUUSRKKOY-MRXNPFEDSA-N 0 0 317.454 3.960 40 0 DHABRN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 ZINC000022739752 182332475 /nfs/dbraw/zinc/33/24/75/182332475.db2.gz HJXMOVUYCLLMGW-HNNXBMFYSA-N 0 0 311.381 3.912 40 0 DHABRN O=C(NC1CCCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022514666 182324341 /nfs/dbraw/zinc/32/43/41/182324341.db2.gz OXWPFKOVCNXUIL-UHFFFAOYSA-N 0 0 320.436 3.922 40 0 DHABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccco1 ZINC000022512328 182324557 /nfs/dbraw/zinc/32/45/57/182324557.db2.gz XQIAERZHOIFSNV-KRWDZBQOSA-N 0 0 309.365 3.907 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000023530225 182363329 /nfs/dbraw/zinc/36/33/29/182363329.db2.gz NOTPDESUEFKEJY-GJZGRUSLSA-N 0 0 313.397 3.648 40 0 DHABRN Cc1ccc(CCC(=O)NCCOc2ccc(C)cc2C)cc1 ZINC000024706074 182388121 /nfs/dbraw/zinc/38/81/21/182388121.db2.gz URJPAOUADCRLOH-UHFFFAOYSA-N 0 0 311.425 3.740 40 0 DHABRN Cc1ccc(N2C(=S)N=NC2COc2ccccc2)cc1C ZINC000026439393 182441641 /nfs/dbraw/zinc/44/16/41/182441641.db2.gz DDRFJVAZFGYURS-UHFFFAOYSA-N 0 0 311.410 3.752 40 0 DHABRN Cc1cc(NC(=O)c2cc(C)oc2C)n(-c2ccc(F)cc2)n1 ZINC000028219979 182511827 /nfs/dbraw/zinc/51/18/27/182511827.db2.gz HMUZBKGFJDAUQU-UHFFFAOYSA-N 0 0 313.332 3.782 40 0 DHABRN O=C(CCn1cc(Cl)cn1)Nc1c(Cl)cccc1Cl ZINC000028229255 182513201 /nfs/dbraw/zinc/51/32/01/182513201.db2.gz TUZFSNRMGIIQHY-UHFFFAOYSA-N 0 0 318.591 3.872 40 0 DHABRN O=C(NCc1ccco1)c1ccc(COc2ccc(F)cc2)o1 ZINC000027980034 182501844 /nfs/dbraw/zinc/50/18/44/182501844.db2.gz ZXFHYKXGZADBLB-UHFFFAOYSA-N 0 0 315.300 3.521 40 0 DHABRN O=C(NC1CC1)c1ccc(COc2cccc3ccccc32)o1 ZINC000028575525 182529650 /nfs/dbraw/zinc/52/96/50/182529650.db2.gz YPKGSCOSCXKZMX-UHFFFAOYSA-N 0 0 307.349 3.904 40 0 DHABRN Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccccc3C)C2=O)c(C)c1 ZINC000101275239 193809531 /nfs/dbraw/zinc/80/95/31/193809531.db2.gz GSTDJNICKGNTRY-MRXNPFEDSA-N 0 0 322.408 3.664 40 0 DHABRN CC1(C)Cc2ccccc2-c2nnc(SCc3cccnc3)n21 ZINC000035315056 182769861 /nfs/dbraw/zinc/76/98/61/182769861.db2.gz OADHJOYFDHGKSS-UHFFFAOYSA-N 0 0 322.437 3.924 40 0 DHABRN C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000036719056 182837307 /nfs/dbraw/zinc/83/73/07/182837307.db2.gz BAVDNODZVWMWFS-GFCCVEGCSA-N 0 0 323.314 3.789 40 0 DHABRN CC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@H](C(C)=C[C@H]1C)[C@H]2C ZINC000038549692 183002460 /nfs/dbraw/zinc/00/24/60/183002460.db2.gz LANFJOBBEPUSIU-ACJWMLNOSA-N 0 0 315.413 3.551 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1F ZINC000038752866 183008323 /nfs/dbraw/zinc/00/83/23/183008323.db2.gz BOPBOCXGAJKICB-INIZCTEOSA-N 0 0 303.333 3.630 40 0 DHABRN CCOc1ccccc1CNC(=O)CCCOc1ccccc1 ZINC000038753764 183008484 /nfs/dbraw/zinc/00/84/84/183008484.db2.gz ZNFPABUDKHZXTK-UHFFFAOYSA-N 0 0 313.397 3.561 40 0 DHABRN Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000038772780 183008966 /nfs/dbraw/zinc/00/89/66/183008966.db2.gz LZHRWPGJTRPDOS-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN Cc1ccc(CN(C)C(=O)COc2cc(C)cc(C)c2C)cc1 ZINC000038756979 183009528 /nfs/dbraw/zinc/00/95/28/183009528.db2.gz JEJVIIXSIRUOOW-UHFFFAOYSA-N 0 0 311.425 3.958 40 0 DHABRN O=C(OCCc1ccccc1)c1cc(Br)ccc1O ZINC000039951674 183023371 /nfs/dbraw/zinc/02/33/71/183023371.db2.gz XTRJZQOMYPOVPN-UHFFFAOYSA-N 0 0 321.170 3.554 40 0 DHABRN COc1ccc([C@@H](O)c2cccc(Br)c2)cc1F ZINC000040263034 183049302 /nfs/dbraw/zinc/04/93/02/183049302.db2.gz UWDVYTZTNSOBBO-AWEZNQCLSA-N 0 0 311.150 3.679 40 0 DHABRN COc1ccc([C@@H](O)c2ccccc2Br)c(OC)c1 ZINC000040248060 183049245 /nfs/dbraw/zinc/04/92/45/183049245.db2.gz FEWKHMIHRASCSX-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN COC(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000041127594 183169602 /nfs/dbraw/zinc/16/96/02/183169602.db2.gz WRFNDILHJDDUMP-UHFFFAOYSA-N 0 0 301.729 3.864 40 0 DHABRN CCOC(=O)c1cc(Cl)cc(Br)c1OCC ZINC000057332029 184033591 /nfs/dbraw/zinc/03/35/91/184033591.db2.gz RLFKZPMYZJZBQX-UHFFFAOYSA-N 0 0 307.571 3.678 40 0 DHABRN COC(=O)c1c(C)nn(-c2nc3c(cccc3Cl)s2)c1C ZINC000057351341 184034657 /nfs/dbraw/zinc/03/46/57/184034657.db2.gz HASFLUUOBCWZFC-UHFFFAOYSA-N 0 0 321.789 3.539 40 0 DHABRN CCCOC(=O)c1ccc(I)c(Cl)c1 ZINC000057351530 184034889 /nfs/dbraw/zinc/03/48/89/184034889.db2.gz DKHZWLAABFKVPU-UHFFFAOYSA-N 0 0 324.545 3.511 40 0 DHABRN Cc1cccc2cc3c(nc12)OCCN(CCc1ccccc1)C3 ZINC000057718832 184050026 /nfs/dbraw/zinc/05/00/26/184050026.db2.gz SSWLYLKAQGDFGQ-UHFFFAOYSA-N 0 0 318.420 3.980 40 0 DHABRN COc1ccc(NCc2ccc(O)c(Br)c2)cc1 ZINC000057998003 184066152 /nfs/dbraw/zinc/06/61/52/184066152.db2.gz DNAIUBIHRMEWML-UHFFFAOYSA-N 0 0 308.175 3.775 40 0 DHABRN C[C@]12CCc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000061389522 184170089 /nfs/dbraw/zinc/17/00/89/184170089.db2.gz DNJVYWXIDISQRD-WPHVRAEDSA-N 0 0 316.441 3.639 40 0 endogenous,in-man DHABRN CC(C)(C)c1nnc(CCNc2ccc(Br)cc2)[nH]1 ZINC000062719173 184250526 /nfs/dbraw/zinc/25/05/26/184250526.db2.gz ZIWSNDDLXIDYMM-UHFFFAOYSA-N 0 0 323.238 3.519 40 0 DHABRN COc1ccc(-c2nnc(-c3cccc(Cl)c3)[nH]2)cc1OC ZINC000062718891 184250858 /nfs/dbraw/zinc/25/08/58/184250858.db2.gz WLBUSGUTMVYJDX-UHFFFAOYSA-N 0 0 315.760 3.809 40 0 DHABRN CCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2F)o1 ZINC000008339312 256523544 /nfs/dbraw/zinc/52/35/44/256523544.db2.gz CSGRMKDMEBZOTE-UHFFFAOYSA-N 0 0 318.377 3.646 40 0 DHABRN COC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1Cl ZINC000085397446 256547900 /nfs/dbraw/zinc/54/79/00/256547900.db2.gz OAMUHCUSBQPOAN-UHFFFAOYSA-N 0 0 318.756 3.908 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)NCCSC(C)(C)C ZINC000113959311 256585252 /nfs/dbraw/zinc/58/52/52/256585252.db2.gz VJVKMGCWFVLJMQ-ZDUSSCGKSA-N 0 0 313.438 3.631 40 0 DHABRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CC2(C1)SCCCS2 ZINC000225757866 256597201 /nfs/dbraw/zinc/59/72/01/256597201.db2.gz BTMMPHFRAPWXIM-DTWKUNHWSA-N 0 0 314.394 3.704 40 0 DHABRN Cc1ncsc1-c1ccc(C(=O)N(C)C2CCCCC2)cn1 ZINC000257261149 256620310 /nfs/dbraw/zinc/62/03/10/256620310.db2.gz LFYRRDHUNKNEQF-UHFFFAOYSA-N 0 0 315.442 3.918 40 0 DHABRN CN(Cc1ccccc1)c1ccc([C@@H](O)c2ccccc2)cn1 ZINC000072225372 257123061 /nfs/dbraw/zinc/12/30/61/257123061.db2.gz JMRRVPUTQIKHLX-FQEVSTJZSA-N 0 0 304.393 3.800 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccoc2)cc1 ZINC000072221635 257124380 /nfs/dbraw/zinc/12/43/80/257124380.db2.gz NEYXNUSRQILDTQ-INIZCTEOSA-N 0 0 305.399 3.504 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215980 257124749 /nfs/dbraw/zinc/12/47/49/257124749.db2.gz TVMYWRZUKDUKQM-HNNXBMFYSA-N 0 0 317.433 3.754 40 0 DHABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc(C2=NCCC2)cn1 ZINC000072214839 257125849 /nfs/dbraw/zinc/12/58/49/257125849.db2.gz MXGRDMOFOQBGMH-UHFFFAOYSA-N 0 0 303.406 3.814 40 0 DHABRN O=C(c1ccccc1)N1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213786 257126445 /nfs/dbraw/zinc/12/64/45/257126445.db2.gz AFPINRBAQLRAMF-KRWDZBQOSA-N 0 0 307.397 3.633 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214232 257126450 /nfs/dbraw/zinc/12/64/50/257126450.db2.gz JCAYQMBDJBIIGP-GOSISDBHSA-N 0 0 309.413 3.923 40 0 DHABRN CCNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072213111 257127047 /nfs/dbraw/zinc/12/70/47/257127047.db2.gz RJISIDMAISVALM-QGZVFWFLSA-N 0 0 309.413 3.881 40 0 DHABRN CCN(C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072212723 257127186 /nfs/dbraw/zinc/12/71/86/257127186.db2.gz MZDKQSKYOXWNJX-KRWDZBQOSA-N 0 0 309.413 3.515 40 0 DHABRN Nc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212446 257127460 /nfs/dbraw/zinc/12/74/60/257127460.db2.gz QBMPZEKLHLXIQW-MRXNPFEDSA-N 0 0 311.385 3.528 40 0 DHABRN CCOc1ccc(Br)cc1/C=C/C(=O)OC(C)C ZINC000062714750 257128734 /nfs/dbraw/zinc/12/87/34/257128734.db2.gz PGAKEWRJGBCHAW-VMPITWQZSA-N 0 0 313.191 3.813 40 0 DHABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)c(C)c1 ZINC000059227399 257217210 /nfs/dbraw/zinc/21/72/10/257217210.db2.gz VQTIHFRPWRGKDJ-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c(C)c1 ZINC000059227411 257217346 /nfs/dbraw/zinc/21/73/46/257217346.db2.gz SHZKTFALXWMACX-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1 ZINC000009141371 257218036 /nfs/dbraw/zinc/21/80/36/257218036.db2.gz VDYWMQJVRWLCDX-UHFFFAOYSA-N 0 0 308.385 3.714 40 0 DHABRN COCCNC(=S)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000006335317 257218440 /nfs/dbraw/zinc/21/84/40/257218440.db2.gz UOSPLRDAFVQBFC-UHFFFAOYSA-N 0 0 316.426 3.720 40 0 DHABRN CCC(=O)c1cn(CC(=O)N2CCCC[C@@H]2C)c2ccccc12 ZINC000000560779 257219723 /nfs/dbraw/zinc/21/97/23/257219723.db2.gz UPBANSBHNUDHBE-AWEZNQCLSA-N 0 0 312.413 3.635 40 0 DHABRN CCCN1C(=O)N/C(=C/c2cccc(Oc3ccccc3)c2)C1=O ZINC000409236630 257220545 /nfs/dbraw/zinc/22/05/45/257220545.db2.gz SKXNTFAIMYPVPN-GHRIWEEISA-N 0 0 322.364 3.782 40 0 DHABRN CSc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000409237682 257220842 /nfs/dbraw/zinc/22/08/42/257220842.db2.gz BCYIYOADOBFFPI-LFIBNONCSA-N 0 0 324.405 3.501 40 0 DHABRN O=C1NC(=CC=Cc2ccco2)C(=O)N1c1ccc(Cl)cc1 ZINC000409231146 257220847 /nfs/dbraw/zinc/22/08/47/257220847.db2.gz IGDVFYRZDBXXEM-GSPDUGTFSA-N 0 0 314.728 3.587 40 0 DHABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1O ZINC000409118932 257222128 /nfs/dbraw/zinc/22/21/28/257222128.db2.gz QOBZQTPWPJQXMG-GHXNOFRVSA-N 0 0 305.255 3.904 40 0 DHABRN CCN1c2ccccc2/C(=C/c2cccc(OC)c2OC)C1=O ZINC000409115264 257222323 /nfs/dbraw/zinc/22/23/23/257222323.db2.gz IDGVJNMKSXJRCM-QINSGFPZSA-N 0 0 309.365 3.611 40 0 DHABRN CCN1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O ZINC000409097326 257223084 /nfs/dbraw/zinc/22/30/84/257223084.db2.gz NJFHQGGIOCLKLN-XNTDXEJSSA-N 0 0 313.378 3.905 40 0 DHABRN Cc1sc2[nH]c(-c3cc4c(cc3C)OCO4)nc(=O)c2c1C ZINC000408986603 257224757 /nfs/dbraw/zinc/22/47/57/257224757.db2.gz REHOJKLTBUMTQK-UHFFFAOYSA-N 0 0 314.366 3.718 40 0 DHABRN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1C1CCCC1 ZINC000408772164 257226527 /nfs/dbraw/zinc/22/65/27/257226527.db2.gz DQDNHORMGNITEQ-NTEUORMPSA-N 0 0 304.415 3.886 40 0 DHABRN C[C@@H]1Cc2ccccc2N1C(=S)Oc1ccc2nccnc2c1 ZINC000408735761 257227108 /nfs/dbraw/zinc/22/71/08/257227108.db2.gz WSDMFEXFBXWEGD-GFCCVEGCSA-N 0 0 321.405 3.745 40 0 DHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCC1=CCCCC1 ZINC000408706484 257228421 /nfs/dbraw/zinc/22/84/21/257228421.db2.gz ZMERWXGQVVNRIH-SFHVURJKSA-N 0 0 317.429 3.859 40 0 DHABRN O=Cc1cn(Cc2nnc(-c3ccccc3)o2)c2ccccc12 ZINC000408602058 257229016 /nfs/dbraw/zinc/22/90/16/257229016.db2.gz ABMQSEQTSIWMEH-UHFFFAOYSA-N 0 0 303.321 3.552 40 0 DHABRN O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccco1 ZINC000408585422 257229580 /nfs/dbraw/zinc/22/95/80/257229580.db2.gz DFZIKRGELNQTLL-UHFFFAOYSA-N 0 0 306.730 3.916 40 0 DHABRN COc1ccc(CCNC(=S)c2cccc(Cl)c2)cc1 ZINC000408573704 257229633 /nfs/dbraw/zinc/22/96/33/257229633.db2.gz JYDWELJZYQYXIB-UHFFFAOYSA-N 0 0 305.830 3.856 40 0 DHABRN COc1ccc(OC)c(C(=S)NCc2ccccc2Cl)c1 ZINC000408574492 257229719 /nfs/dbraw/zinc/22/97/19/257229719.db2.gz RGQSZDBUJJGOLK-UHFFFAOYSA-N 0 0 321.829 3.823 40 0 DHABRN CCOc1ccccc1-c1nnc(Sc2ccc(C=O)o2)o1 ZINC000408556995 257229955 /nfs/dbraw/zinc/22/99/55/257229955.db2.gz MGZIOYYROOZIMR-UHFFFAOYSA-N 0 0 316.338 3.692 40 0 DHABRN CSc1ncc(/C=C/C(=O)Nc2cccc(Cl)c2)cn1 ZINC000408532166 257230116 /nfs/dbraw/zinc/23/01/16/257230116.db2.gz NSZUQHCUZJWOFM-AATRIKPKSA-N 0 0 305.790 3.504 40 0 DHABRN COc1ccc(-c2ccc(OC(=O)c3cccc(F)c3)nn2)cc1 ZINC000408532422 257230175 /nfs/dbraw/zinc/23/01/75/257230175.db2.gz YBAZQHVOYOXHCC-UHFFFAOYSA-N 0 0 324.311 3.511 40 0 DHABRN CCCCN1C(=O)S/C(=C\c2ccc(OC)cc2OC)C1=O ZINC000005552383 257231549 /nfs/dbraw/zinc/23/15/49/257231549.db2.gz XZIOZKGKBQKQSN-ZROIWOOFSA-N 0 0 321.398 3.540 40 0 DHABRN CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C(=O)C(F)(F)F ZINC000201109097 257214666 /nfs/dbraw/zinc/21/46/66/257214666.db2.gz WXPSYJXMUMXEGN-UHFFFAOYSA-N 0 0 324.686 3.827 40 0 DHABRN CC[C@H](C)OCc1nn(CC(F)(F)F)cc1Br ZINC000408716292 257215179 /nfs/dbraw/zinc/21/51/79/257215179.db2.gz LBUIBYIPNKRDJF-ZETCQYMHSA-N 0 0 315.133 3.523 40 0 DHABRN CCOc1ccc(-c2cc(-c3cccc(OC)c3)nc(N)n2)cc1 ZINC000071977788 184917582 /nfs/dbraw/zinc/91/75/82/184917582.db2.gz FDPJAWFLFDCEGX-UHFFFAOYSA-N 0 0 321.380 3.800 40 0 DHABRN CC(C)c1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000003560438 134455496 /nfs/dbraw/zinc/45/54/96/134455496.db2.gz CEKRXBPBNSTDCW-UHFFFAOYSA-N 0 0 324.424 3.899 40 0 DHABRN Cc1cc(-c2cnc(N3CCC(C)CC3)nc2-c2ccoc2)on1 ZINC000012252306 134504598 /nfs/dbraw/zinc/50/45/98/134504598.db2.gz SSDOIEQKCQEUJK-UHFFFAOYSA-N 0 0 324.384 3.936 40 0 DHABRN CC1(C)CC(=O)C2=C(c3ccc(Cl)c(Cl)c3)NN[C@@H]2C1 ZINC000228978739 262505051 /nfs/dbraw/zinc/50/50/51/262505051.db2.gz IHOACUOGBCJMIG-YPMHNXCESA-N 0 0 311.212 3.675 40 0 DHABRN Nc1nc(-c2ccccc2Cl)c2cc(Cl)ccc2nc1=O ZINC000228968575 262505392 /nfs/dbraw/zinc/50/53/92/262505392.db2.gz LCFWIXDQYIEZIK-UHFFFAOYSA-N 0 0 318.163 3.546 40 0 DHABRN COCc1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000029145555 331610494 /nfs/dbraw/zinc/61/04/94/331610494.db2.gz HAZSGCHUQQSVLN-LBPRGKRZSA-N 0 0 319.788 3.892 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1c(F)cccc1F ZINC000078700587 331675054 /nfs/dbraw/zinc/67/50/54/331675054.db2.gz VNMDGTBXNUSBCV-ZDUSSCGKSA-N 0 0 309.287 3.900 40 0 DHABRN C[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 ZINC000042646542 332247847 /nfs/dbraw/zinc/24/78/47/332247847.db2.gz VAVQTVCVJGZSJZ-CQSZACIVSA-N 0 0 324.424 3.800 40 0 DHABRN CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000014009252 333148809 /nfs/dbraw/zinc/14/88/09/333148809.db2.gz VZXDFVCMNKJHGD-UHFFFAOYSA-N 0 0 316.788 3.731 40 0 DHABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)[nH]1 ZINC000222587895 333404429 /nfs/dbraw/zinc/40/44/29/333404429.db2.gz KPWJNUCQURHGGQ-IUIKQTSFSA-N 0 0 312.442 3.616 40 0 DHABRN Cc1cccc2c(C[C@H](C)NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)c[nH]c21 ZINC000248340251 341375631 /nfs/dbraw/zinc/37/56/31/341375631.db2.gz UOFWCCIUSSTCHU-VIBAHUMZSA-N 0 0 310.441 3.960 40 0 DHABRN c1csc(CN2CCn3c(-c4cccs4)cnc3C2)c1 ZINC000306136334 534519852 /nfs/dbraw/zinc/51/98/52/534519852.db2.gz PQGXOVUVZRDXLL-UHFFFAOYSA-N 0 0 301.440 3.689 40 0 DHABRN CCOC(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000040433770 521595399 /nfs/dbraw/zinc/59/53/99/521595399.db2.gz NPZFWAFEFBYTON-UHFFFAOYSA-N 0 0 306.774 3.893 40 0 DHABRN O=C(OCc1ccccc1F)c1snnc1-c1ccccc1 ZINC000223833263 526428047 /nfs/dbraw/zinc/42/80/47/526428047.db2.gz SBCWTCCKBPWFCP-UHFFFAOYSA-N 0 0 314.341 3.701 40 0 DHABRN CC(C)(C)OC(=O)n1cc(C=O)c2ccc(Br)cc21 ZINC000117770035 563592370 /nfs/dbraw/zinc/59/23/70/563592370.db2.gz WDXGCKWHPVRYGA-UHFFFAOYSA-N 0 0 324.174 4.000 40 0 DHABRN CSc1ccccc1NC(=O)c1cnc(C(C)C)nc1C ZINC000222574082 563725809 /nfs/dbraw/zinc/72/58/09/563725809.db2.gz SEEWOZGQHYVPPT-UHFFFAOYSA-N 0 0 301.415 3.883 40 0 DHABRN CCOc1ccc(C(=O)NCCSC2CCCC2)cc1C ZINC000224653851 563743607 /nfs/dbraw/zinc/74/36/07/563743607.db2.gz YGECCFLIPRRDPA-UHFFFAOYSA-N 0 0 307.459 3.799 40 0 DHABRN CCCCOCc1cc(C(=O)NC(C)(C)C)ccc1OCC ZINC000224723693 563744353 /nfs/dbraw/zinc/74/43/53/563744353.db2.gz ZNOGAHGZPWTQRI-UHFFFAOYSA-N 0 0 307.434 3.930 40 0 DHABRN CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@]13C2 ZINC000257230656 563791282 /nfs/dbraw/zinc/79/12/82/563791282.db2.gz GDHUPCWXMSHQGF-DINLJIAVSA-N 0 0 307.478 3.769 40 0 DHABRN Cc1ccccc1CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000000571741 563854392 /nfs/dbraw/zinc/85/43/92/563854392.db2.gz ONYDPMQHUKRLIJ-UHFFFAOYSA-N 0 0 303.427 3.578 40 0 DHABRN CC[C@@H](C)Nc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000228940809 563914581 /nfs/dbraw/zinc/91/45/81/563914581.db2.gz VZNDHXHUXGNLDR-SSDOTTSWSA-N 0 0 313.739 3.757 40 0 DHABRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000006850996 563334317 /nfs/dbraw/zinc/33/43/17/563334317.db2.gz VEWZSUWXBOWEHM-NHYWBVRUSA-N 0 0 320.845 3.749 40 0 DHABRN O=c1c(Cl)c(Cl)cnn1Cc1c(Cl)cccc1Cl ZINC000000153032 563225017 /nfs/dbraw/zinc/22/50/17/563225017.db2.gz BLVZIWZCWVGXHW-UHFFFAOYSA-N 0 0 323.994 3.905 40 0 DHABRN COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3CC[C@@H]12 ZINC000000404260 563251429 /nfs/dbraw/zinc/25/14/29/563251429.db2.gz BSKWXDWRTACMCC-NZSAHSFTSA-N 0 0 302.414 3.879 40 0 DHABRN CCSc1nnc2c3c4c(sc3nc(C)n12)C[C@H](C)CC4 ZINC000000413749 563252109 /nfs/dbraw/zinc/25/21/09/563252109.db2.gz NQBUPOZKGGAJEX-MRVPVSSYSA-N 0 0 318.471 3.884 40 0 DHABRN CCn1c(COc2ccc(C)cc2)nnc1SCC(C)C ZINC000000419256 563252873 /nfs/dbraw/zinc/25/28/73/563252873.db2.gz KASUFVNGELKSAR-UHFFFAOYSA-N 0 0 305.447 3.934 40 0 DHABRN CCOc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 ZINC000000469432 563260076 /nfs/dbraw/zinc/26/00/76/563260076.db2.gz VSLSWBVAZZCISO-MOPGFXCFSA-N 0 0 315.413 3.809 40 0 DHABRN COc1ccc(NC(=O)Cc2ccccc2)cc1Br ZINC000000570552 563267312 /nfs/dbraw/zinc/26/73/12/563267312.db2.gz WNBFDXDHEUUGMD-UHFFFAOYSA-N 0 0 320.186 3.639 40 0 DHABRN CCCC[C@@H](S[C@@](CC)(C(C)=O)c1ccccc1)C(N)=O ZINC000001705166 563291623 /nfs/dbraw/zinc/29/16/23/563291623.db2.gz SCPUGINXZWJRNA-WBVHZDCISA-N 0 0 307.459 3.658 40 0 DHABRN CC(C)=C[C@H]1[C@H](C(=O)OCCc2ccc3c(c2)OCO3)C1(C)C ZINC000001711311 563292661 /nfs/dbraw/zinc/29/26/61/563292661.db2.gz XBCLVCWFHKVHDH-WMLDXEAASA-N 0 0 316.397 3.739 40 0 DHABRN Cc1cccc(C(=O)[C@](O)(c2ccccc2)[C@H]2CCCCC2=O)c1 ZINC000001731608 563293966 /nfs/dbraw/zinc/29/39/66/563293966.db2.gz LDNHSKULSWUSNY-RXVVDRJESA-N 0 0 322.404 3.825 40 0 DHABRN CCCCc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000001999261 563297385 /nfs/dbraw/zinc/29/73/85/563297385.db2.gz PKYKNPLSFOKASK-UHFFFAOYSA-N 0 0 308.381 3.676 40 0 in-man DHABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1 ZINC000005111755 563328835 /nfs/dbraw/zinc/32/88/35/563328835.db2.gz AHUUMJFPVOHAIF-HNNXBMFYSA-N 0 0 305.377 3.924 40 0 DHABRN COC(=O)c1ccccc1C[C@@H]1Cc2ccc3c(c2C1)CCC3 ZINC000005537783 563329909 /nfs/dbraw/zinc/32/99/09/563329909.db2.gz KKVDJLDHHJXSLH-CQSZACIVSA-N 0 0 306.405 3.919 40 0 DHABRN Fc1ccc(-c2nsc3c2ncnc3N2CCCCC2)cc1 ZINC000035288803 563331397 /nfs/dbraw/zinc/33/13/97/563331397.db2.gz CDSFEHNXVYAYBY-UHFFFAOYSA-N 0 0 314.389 3.883 40 0 DHABRN Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000035311697 563331568 /nfs/dbraw/zinc/33/15/68/563331568.db2.gz UHLGHQWLEBOISN-KRWDZBQOSA-N 0 0 323.396 3.630 40 0 DHABRN CCOC(=O)c1ccc(OCc2nc3ccccc3nc2C)cc1 ZINC000006844367 563334581 /nfs/dbraw/zinc/33/45/81/563334581.db2.gz DYDUKRAFVSJJMH-UHFFFAOYSA-N 0 0 322.364 3.694 40 0 DHABRN COc1ccc(SCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000007123418 563336764 /nfs/dbraw/zinc/33/67/64/563336764.db2.gz RCLFJBYRHCQPOB-CYBMUJFWSA-N 0 0 301.411 3.665 40 0 DHABRN COc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000007583993 563339416 /nfs/dbraw/zinc/33/94/16/563339416.db2.gz PUVOZFHMNAMHCI-LLVKDONJSA-N 0 0 304.390 3.882 40 0 DHABRN Cc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C ZINC000007612502 563339916 /nfs/dbraw/zinc/33/99/16/563339916.db2.gz SMRMIMOLXZDOGK-UHFFFAOYSA-N 0 0 322.408 3.611 40 0 DHABRN O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)c1cccs1 ZINC000008071189 563343883 /nfs/dbraw/zinc/34/38/83/563343883.db2.gz ITAMVPLBUYBYPZ-UHFFFAOYSA-N 0 0 314.288 3.501 40 0 DHABRN Cc1ccccc1CNC(=O)COc1ccc(Cl)c(C)c1 ZINC000008154314 563344703 /nfs/dbraw/zinc/34/47/03/563344703.db2.gz WLJVGAOYVZQSNH-UHFFFAOYSA-N 0 0 303.789 3.652 40 0 DHABRN CCCC(=O)Nc1c2c(nn1-c1cccc(C)c1C)CSC2 ZINC000003008295 563346152 /nfs/dbraw/zinc/34/61/52/563346152.db2.gz FUHWWTOGQBQNOL-UHFFFAOYSA-N 0 0 315.442 3.975 40 0 DHABRN CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12 ZINC000008615389 563347926 /nfs/dbraw/zinc/34/79/26/563347926.db2.gz PWVLZAWWMIOCEB-NYGAZZEESA-N 0 0 317.473 3.726 40 0 DHABRN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccccc1 ZINC000009484414 563353747 /nfs/dbraw/zinc/35/37/47/563353747.db2.gz WVSWPMGNLXUUBG-UHFFFAOYSA-N 0 0 317.801 3.947 40 0 DHABRN CCNc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccco1)C2 ZINC000009936381 563354422 /nfs/dbraw/zinc/35/44/22/563354422.db2.gz NTLZOPSPOQTPNE-CYBMUJFWSA-N 0 0 321.380 3.810 40 0 DHABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 ZINC000010110348 563355555 /nfs/dbraw/zinc/35/55/55/563355555.db2.gz FVDWFMLWPUYADL-AWEZNQCLSA-N 0 0 317.816 3.856 40 0 DHABRN CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C ZINC000010773098 563358330 /nfs/dbraw/zinc/35/83/30/563358330.db2.gz XDGQQANKGWDIGE-UHFFFAOYSA-N 0 0 302.761 3.859 40 0 DHABRN COc1cccc(NC(=O)NCCSCc2ccccc2)c1 ZINC000011556444 563358392 /nfs/dbraw/zinc/35/83/92/563358392.db2.gz GPPVZUKLQJYDRR-UHFFFAOYSA-N 0 0 316.426 3.750 40 0 DHABRN Cc1ccc(CNc2c(-c3ccco3)nc3cnccn32)cc1 ZINC000012113779 563361562 /nfs/dbraw/zinc/36/15/62/563361562.db2.gz YNHNSDWQUUEEDS-UHFFFAOYSA-N 0 0 304.353 3.910 40 0 DHABRN COc1ccc(-c2c(C)nn3c2nc(C)c(Cl)c3C)cc1 ZINC000012115639 563361807 /nfs/dbraw/zinc/36/18/07/563361807.db2.gz BRXVGKDXBOSNAJ-UHFFFAOYSA-N 0 0 301.777 3.984 40 0 DHABRN CC(C)C(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 ZINC000012088179 563361984 /nfs/dbraw/zinc/36/19/84/563361984.db2.gz OBGKXOKANBZPNV-UHFFFAOYSA-N 0 0 305.381 3.546 40 0 DHABRN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCCCc1ccccn1 ZINC000012148586 563363109 /nfs/dbraw/zinc/36/31/09/563363109.db2.gz BDXZLLZIOVBRHK-UHFFFAOYSA-N 0 0 321.424 3.851 40 0 DHABRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)n(C)n1 ZINC000012194773 563364105 /nfs/dbraw/zinc/36/41/05/563364105.db2.gz KVNOHVVDPNLICL-ZDUSSCGKSA-N 0 0 311.429 3.523 40 0 DHABRN CC(=O)c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000013214608 563379581 /nfs/dbraw/zinc/37/95/81/563379581.db2.gz AABPSESTZLBZAJ-UHFFFAOYSA-N 0 0 312.756 3.775 40 0 DHABRN COc1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 ZINC000013647020 563384525 /nfs/dbraw/zinc/38/45/25/563384525.db2.gz FQYKDJCDVVFEML-UHFFFAOYSA-N 0 0 303.789 3.711 40 0 DHABRN C[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccccc1 ZINC000013709588 563386736 /nfs/dbraw/zinc/38/67/36/563386736.db2.gz UIVMRMSKGNJBME-ZDUSSCGKSA-N 0 0 303.789 3.766 40 0 DHABRN CC(C)OCCCNC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000013709288 563386921 /nfs/dbraw/zinc/38/69/21/563386921.db2.gz YYBFLHQZRTVVLJ-OAHLLOKOSA-N 0 0 315.413 3.538 40 0 DHABRN Cc1ccc([C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000013816236 563389927 /nfs/dbraw/zinc/38/99/27/563389927.db2.gz OHHMIZWQQDSCOV-GFCCVEGCSA-N 0 0 314.410 3.771 40 0 DHABRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000014219321 563398398 /nfs/dbraw/zinc/39/83/98/563398398.db2.gz NGJJRBVFYXASHZ-CYBMUJFWSA-N 0 0 323.845 3.996 40 0 DHABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000015357575 563409605 /nfs/dbraw/zinc/40/96/05/563409605.db2.gz KTCTVISGQDHIGS-AWEZNQCLSA-N 0 0 301.361 3.526 40 0 DHABRN Cc1cc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)ccc1Cl ZINC000015361035 563409650 /nfs/dbraw/zinc/40/96/50/563409650.db2.gz XNVTYDAJUPLUME-LBPRGKRZSA-N 0 0 321.779 3.871 40 0 DHABRN Cc1cc(NC(=O)c2ccccc2)ccc1-c1ccc(CO)o1 ZINC000020137380 563415891 /nfs/dbraw/zinc/41/58/91/563415891.db2.gz BPSKSICCQXSEIO-UHFFFAOYSA-N 0 0 307.349 4.000 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC000025454155 563422776 /nfs/dbraw/zinc/42/27/76/563422776.db2.gz KQTNDFJVMVLITQ-ZDUSSCGKSA-N 0 0 301.361 3.644 40 0 DHABRN Cc1cccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1C ZINC000028285188 563431439 /nfs/dbraw/zinc/43/14/39/563431439.db2.gz WNPKMVOZBKCHGU-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccc(F)cc1 ZINC000029293626 563433685 /nfs/dbraw/zinc/43/36/85/563433685.db2.gz JXJUYDYTERTIBQ-XCVCLJGOSA-N 0 0 319.763 3.688 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000030750842 563438004 /nfs/dbraw/zinc/43/80/04/563438004.db2.gz RKLMOVQQPPAMDZ-KDOFPFPSSA-N 0 0 313.397 3.730 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000030750830 563438184 /nfs/dbraw/zinc/43/81/84/563438184.db2.gz RKLMOVQQPPAMDZ-KBXCAEBGSA-N 0 0 313.397 3.730 40 0 DHABRN CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 ZINC000030854513 563438658 /nfs/dbraw/zinc/43/86/58/563438658.db2.gz RSKUVWFJOMPFKE-SOGBHIHOSA-N 0 0 309.365 3.696 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC1=CCCCC1 ZINC000030861389 563439339 /nfs/dbraw/zinc/43/93/39/563439339.db2.gz BXDVZJYFFDMJFA-GOSISDBHSA-N 0 0 317.429 3.859 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(C)cc1 ZINC000030871509 563439396 /nfs/dbraw/zinc/43/93/96/563439396.db2.gz COVKERRJLQXERW-KRWDZBQOSA-N 0 0 321.417 3.705 40 0 DHABRN COP(=O)(OC)[C@H](/C=C(\Cl)c1ccc(C)cc1)N(C)C ZINC000032237376 563441769 /nfs/dbraw/zinc/44/17/69/563441769.db2.gz DHUGUSHZSVRSKS-QLKUMGTLSA-N 0 0 317.753 3.948 40 0 DHABRN CCc1nccn1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035170678 563452577 /nfs/dbraw/zinc/45/25/77/563452577.db2.gz IBMHXFBLCGUZRB-GOSISDBHSA-N 0 0 322.408 3.552 40 0 DHABRN COc1ccc(OCCCC(=O)NCCC2=CCCCC2)cc1 ZINC000075240875 563459636 /nfs/dbraw/zinc/45/96/36/563459636.db2.gz YHOZFMDYKMXQQJ-UHFFFAOYSA-N 0 0 317.429 3.861 40 0 DHABRN COc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2OC)cc1 ZINC000044902969 563463841 /nfs/dbraw/zinc/46/38/41/563463841.db2.gz PREILGGUQUFIKM-UELRPHRMSA-N 0 0 311.381 3.594 40 0 DHABRN CC(C)Oc1ccc(CNC(=O)CCc2ccccc2F)cc1 ZINC000045431152 563464773 /nfs/dbraw/zinc/46/47/73/563464773.db2.gz ONCGLGIOAPCICB-UHFFFAOYSA-N 0 0 315.388 3.862 40 0 DHABRN COc1ccc(Nc2cc(N)nc(-c3ccccc3F)n2)cc1 ZINC000049467858 563467764 /nfs/dbraw/zinc/46/77/64/563467764.db2.gz FRKGMSDFJWMTKE-UHFFFAOYSA-N 0 0 310.332 3.617 40 0 DHABRN Clc1ccc(Cn2cnc3c2nc(Cl)nc3Cl)cc1 ZINC000096311607 563472496 /nfs/dbraw/zinc/47/24/96/563472496.db2.gz IIURLOMFGCXJOV-UHFFFAOYSA-N 0 0 313.575 3.835 40 0 DHABRN CCOc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1 ZINC000055675920 563477169 /nfs/dbraw/zinc/47/71/69/563477169.db2.gz DPHVKUKMPDQQMJ-UHFFFAOYSA-N 0 0 319.426 3.527 40 0 DHABRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000069430602 563496238 /nfs/dbraw/zinc/49/62/38/563496238.db2.gz BKGJAQIGAWSMPG-CQSZACIVSA-N 0 0 311.381 3.566 40 0 DHABRN COc1ccccc1CC(=O)Nc1ccccc1C(F)(F)F ZINC000000037074 563498475 /nfs/dbraw/zinc/49/84/75/563498475.db2.gz OBBRGMAGMHFDQS-UHFFFAOYSA-N 0 0 309.287 3.895 40 0 DHABRN CCOC(=O)c1cccc(-c2nc3cc(Cl)c(C)nc3[nH]2)c1 ZINC000071257636 563498600 /nfs/dbraw/zinc/49/86/00/563498600.db2.gz URAKICJZDYYKQJ-UHFFFAOYSA-N 0 0 315.760 3.763 40 0 DHABRN O=C(COc1ccccc1)N(Cc1ccccc1)c1ccccn1 ZINC000000030645 563499121 /nfs/dbraw/zinc/49/91/21/563499121.db2.gz QDYOUJRNVXNQAM-UHFFFAOYSA-N 0 0 318.376 3.694 40 0 DHABRN COc1ccc(OCC(=O)NCc2cccc3ccccc32)cc1 ZINC000074376590 563504260 /nfs/dbraw/zinc/50/42/60/563504260.db2.gz SPWUQPQTOACXAK-UHFFFAOYSA-N 0 0 321.376 3.544 40 0 DHABRN Nc1ncccc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000089263301 563523892 /nfs/dbraw/zinc/52/38/92/563523892.db2.gz MGBRCYCOBJVEAN-UHFFFAOYSA-N 0 0 307.140 3.688 40 0 DHABRN CCc1nc(N)sc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000089263128 563524138 /nfs/dbraw/zinc/52/41/38/563524138.db2.gz UGLYNFRYKHLPPC-UHFFFAOYSA-N 0 0 306.778 3.658 40 0 DHABRN Nc1ccccc1-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC000089262372 563524207 /nfs/dbraw/zinc/52/42/07/563524207.db2.gz PRNJQKLAYPVIDE-UHFFFAOYSA-N 0 0 303.268 3.587 40 0 DHABRN CC(C)COC1CC2(C1)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096159314 563534829 /nfs/dbraw/zinc/53/48/29/563534829.db2.gz FIMBKUCWSIOACC-UHFFFAOYSA-N 0 0 319.420 3.883 40 0 DHABRN CCc1nc(-c2cc(C(=O)N(C)CC)c3ccccn23)cs1 ZINC000096154821 563534896 /nfs/dbraw/zinc/53/48/96/563534896.db2.gz LTEMMLOYUBMGSD-UHFFFAOYSA-N 0 0 313.426 3.717 40 0 DHABRN CC(C)Cc1ncc(-c2cncc(C3CC[NH+](C)CC3)n2)s1 ZINC000585260973 563536607 /nfs/dbraw/zinc/53/66/07/563536607.db2.gz HPOAKKUNTOKLKU-UHFFFAOYSA-N 0 0 316.474 3.608 40 0 DHABRN Cc1cccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1C ZINC000101275268 563557009 /nfs/dbraw/zinc/55/70/09/563557009.db2.gz WNPKMVOZBKCHGU-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1ccc2cc(F)c(C)c(I)c2n1 ZINC000085399623 563569702 /nfs/dbraw/zinc/56/97/02/563569702.db2.gz LKHZFPCGSUEGJW-UHFFFAOYSA-N 0 0 301.102 3.595 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(C)c1 ZINC000113959757 563585829 /nfs/dbraw/zinc/58/58/29/563585829.db2.gz HHXFTBAGWMZRRF-MRXNPFEDSA-N 0 0 301.361 3.608 40 0 DHABRN CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccccc2)cc1 ZINC000113969735 563586286 /nfs/dbraw/zinc/58/62/86/563586286.db2.gz AKYAAORRGFXQDF-SFHVURJKSA-N 0 0 313.397 3.559 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000114426874 563586659 /nfs/dbraw/zinc/58/66/59/563586659.db2.gz GPNODRDZNZKQRH-LLVKDONJSA-N 0 0 319.788 3.848 40 0 DHABRN CC(=C\c1ccccc1)/C=C1/NC(=O)N(Cc2ccccc2)C1=O ZINC000006295470 563592436 /nfs/dbraw/zinc/59/24/36/563592436.db2.gz SQZVRZUKCNTKAQ-PYEASBQRSA-N 0 0 318.376 3.726 40 0 DHABRN CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC ZINC000000411950 563608087 /nfs/dbraw/zinc/60/80/87/563608087.db2.gz UCIDXHXWKSCMMA-UHFFFAOYSA-N 0 0 311.341 3.596 40 0 DHABRN CC(C)[C@H](c1nnnn1C1CCCC1)N1CCc2ccccc21 ZINC000000417493 563608955 /nfs/dbraw/zinc/60/89/55/563608955.db2.gz VEOTWIPGNJIFSF-QGZVFWFLSA-N 0 0 311.433 3.548 40 0 DHABRN CCc1cc2ccccc2nc1SCC(=O)NC1CCCC1 ZINC000000413286 563609017 /nfs/dbraw/zinc/60/90/17/563609017.db2.gz HDOBWCFBRBXORL-UHFFFAOYSA-N 0 0 314.454 3.948 40 0 DHABRN COc1ccccc1NCc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000421244 563609315 /nfs/dbraw/zinc/60/93/15/563609315.db2.gz ZDFANMLMJRLXSA-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN CCn1c(SCc2ccccc2)nnc1-c1ccc(O)cc1 ZINC000000422582 563609558 /nfs/dbraw/zinc/60/95/58/563609558.db2.gz SGYXEVXIIHLTEZ-UHFFFAOYSA-N 0 0 311.410 3.963 40 0 DHABRN NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccco1 ZINC000095098721 563618909 /nfs/dbraw/zinc/61/89/09/563618909.db2.gz WFGSDFUDKXGSER-UHFFFAOYSA-N 0 0 311.366 3.694 40 0 DHABRN Cc1sc2[nH]c([C@@H](C)N3C[C@@H](C)C[C@H](C)C3)nc(=O)c2c1C ZINC000007738211 563625469 /nfs/dbraw/zinc/62/54/69/563625469.db2.gz KOUMTNYUKLAYJE-JBLDHEPKSA-N 0 0 319.474 3.640 40 0 DHABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)c1 ZINC000000237383 563628176 /nfs/dbraw/zinc/62/81/76/563628176.db2.gz NFARJXYOQCZGNG-UHFFFAOYSA-N 0 0 322.286 3.748 40 0 DHABRN CCc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000000505949 563629851 /nfs/dbraw/zinc/62/98/51/563629851.db2.gz KMSVJXSSOICPQR-UHFFFAOYSA-N 0 0 312.438 3.993 40 0 DHABRN Cc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 ZINC000000491554 563629900 /nfs/dbraw/zinc/62/99/00/563629900.db2.gz AMVQBUGDIOOFPQ-UHFFFAOYSA-N 0 0 304.802 3.775 40 0 DHABRN CCNc1nc(Nc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000161758901 563634879 /nfs/dbraw/zinc/63/48/79/563634879.db2.gz WPRWPGKQNFEHID-UHFFFAOYSA-N 0 0 300.259 3.810 40 0 DHABRN CNc1nc(Nc2ccc(F)cc2F)cc(C(F)(F)F)n1 ZINC000161760372 563634900 /nfs/dbraw/zinc/63/49/00/563634900.db2.gz ZCKCLMXSXFRSRN-UHFFFAOYSA-N 0 0 304.222 3.559 40 0 DHABRN Cc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000006203532 563637700 /nfs/dbraw/zinc/63/77/00/563637700.db2.gz GDTOESWXOUDNKS-UHFFFAOYSA-N 0 0 323.845 3.923 40 0 DHABRN FC(F)(F)c1ccc(NC(=S)NCc2ccco2)cc1 ZINC000006971248 563639601 /nfs/dbraw/zinc/63/96/01/563639601.db2.gz LPOOCMJKURJPMA-UHFFFAOYSA-N 0 0 300.305 3.785 40 0 DHABRN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 ZINC000007928052 563640881 /nfs/dbraw/zinc/64/08/81/563640881.db2.gz BORLGKQBPMABRH-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(C)C ZINC000008040909 563641254 /nfs/dbraw/zinc/64/12/54/563641254.db2.gz GZFHFCSHKFXCGD-UHFFFAOYSA-N 0 0 323.389 3.759 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCSC(C)(C)C)c(C)c1 ZINC000008479731 563643102 /nfs/dbraw/zinc/64/31/02/563643102.db2.gz NHEYXJHGAHBYKB-AWEZNQCLSA-N 0 0 309.475 3.719 40 0 DHABRN COc1cc(OC)c(OC)cc1CNCc1ccccc1Cl ZINC000008469648 563643510 /nfs/dbraw/zinc/64/35/10/563643510.db2.gz GUIFOCIBWBKFKP-UHFFFAOYSA-N 0 0 321.804 3.656 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1 ZINC000011636866 563650188 /nfs/dbraw/zinc/65/01/88/563650188.db2.gz KHMAOQDOBJACFB-MRXNPFEDSA-N 0 0 303.333 3.630 40 0 DHABRN COc1ccc2[nH]c(=O)c(CNc3cccc(Cl)c3)cc2c1 ZINC000012493282 563652708 /nfs/dbraw/zinc/65/27/08/563652708.db2.gz FNYZJMLLYMPSKS-UHFFFAOYSA-N 0 0 314.772 3.802 40 0 DHABRN COc1ccc2[nH]c(=O)c(CNc3ccccc3Cl)cc2c1 ZINC000012493280 563652736 /nfs/dbraw/zinc/65/27/36/563652736.db2.gz PQYFQWXIZAYFMH-UHFFFAOYSA-N 0 0 314.772 3.802 40 0 DHABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(COC)c1 ZINC000175932105 563652941 /nfs/dbraw/zinc/65/29/41/563652941.db2.gz ZRWJAUPTBGDFIF-KRWDZBQOSA-N 0 0 313.397 3.938 40 0 DHABRN COc1cccc(NCc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000012566068 563652993 /nfs/dbraw/zinc/65/29/93/563652993.db2.gz POLONBXRCQQBJC-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC(C(C)C)C(C)C ZINC000113942515 563658128 /nfs/dbraw/zinc/65/81/28/563658128.db2.gz SVZCYOXDNXWGLI-MRXNPFEDSA-N 0 0 307.434 3.649 40 0 DHABRN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000014738033 563667221 /nfs/dbraw/zinc/66/72/21/563667221.db2.gz GRPPYYGNSDPPFX-LSDHHAIUSA-N 0 0 315.388 3.731 40 0 DHABRN Cc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1C ZINC000014291454 563667413 /nfs/dbraw/zinc/66/74/13/563667413.db2.gz SVEGSKGCIMVEIK-UHFFFAOYSA-N 0 0 309.818 3.899 40 0 DHABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000014399267 563668350 /nfs/dbraw/zinc/66/83/50/563668350.db2.gz YGKBXJYGDLDGHH-ZDUSSCGKSA-N 0 0 303.789 3.766 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000014737981 563672492 /nfs/dbraw/zinc/67/24/92/563672492.db2.gz KVILFADKFUXQBD-DLBZAZTESA-N 0 0 311.425 3.900 40 0 DHABRN O=C(CSc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000015318435 563674406 /nfs/dbraw/zinc/67/44/06/563674406.db2.gz VNVLSUBRMZOHED-UHFFFAOYSA-N 0 0 301.455 3.864 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1cccc(C)c1)c1ccccc1 ZINC000216247998 563708209 /nfs/dbraw/zinc/70/82/09/563708209.db2.gz OCBDVNJLOJTYRN-KRWDZBQOSA-N 0 0 303.427 3.566 40 0 DHABRN CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000216886459 563711895 /nfs/dbraw/zinc/71/18/95/563711895.db2.gz NMZHAHPLOVSDCH-KPKJPENVSA-N 0 0 300.329 3.981 40 0 DHABRN Cc1cc(C)c(C)c(OCC(=O)NCCSC(C)(C)C)c1 ZINC000218965550 563717779 /nfs/dbraw/zinc/71/77/79/563717779.db2.gz GLKWYWGRNNLKIH-UHFFFAOYSA-N 0 0 309.475 3.639 40 0 DHABRN CCOc1ccc(CCCNC(=O)Cc2ccc(C)cc2)cc1 ZINC000219274033 563718467 /nfs/dbraw/zinc/71/84/67/563718467.db2.gz FGSOEWXLWHBGCH-UHFFFAOYSA-N 0 0 311.425 3.685 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)c2ccccc2OC(C)C)cc1 ZINC000219741936 563720990 /nfs/dbraw/zinc/72/09/90/563720990.db2.gz ZAWKPPWCZIVTEA-CQSZACIVSA-N 0 0 313.397 3.973 40 0 DHABRN C[C@@H](NC(=O)c1ccc2c(c1)nc(Cl)n2C)c1ccccc1 ZINC000222543064 563725837 /nfs/dbraw/zinc/72/58/37/563725837.db2.gz UIHQNQJUCSBDRZ-LLVKDONJSA-N 0 0 313.788 3.718 40 0 DHABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000222768986 563728036 /nfs/dbraw/zinc/72/80/36/563728036.db2.gz VFGXUPNSZOXNSK-STQMWFEESA-N 0 0 323.874 3.789 40 0 DHABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 ZINC000222813395 563728508 /nfs/dbraw/zinc/72/85/08/563728508.db2.gz AWXNVONUFHRBMC-ZIAGYGMSSA-N 0 0 303.456 3.524 40 0 DHABRN C[C@H](Oc1ccccc1)C(=O)NCc1cccc2ccccc21 ZINC000222876971 563729145 /nfs/dbraw/zinc/72/91/45/563729145.db2.gz ZBHYMEQARDMEOW-HNNXBMFYSA-N 0 0 305.377 3.924 40 0 DHABRN COc1cc(OC)cc(C(=O)NCc2cccc3ccccc32)c1 ZINC000222931560 563729183 /nfs/dbraw/zinc/72/91/83/563729183.db2.gz FHGQFHBQSCSHBD-UHFFFAOYSA-N 0 0 321.376 3.787 40 0 DHABRN COc1cccc(OC)c1C(=O)NCc1cccc2ccccc21 ZINC000222956303 563729691 /nfs/dbraw/zinc/72/96/91/563729691.db2.gz APCHFZPDPXGIKD-UHFFFAOYSA-N 0 0 321.376 3.787 40 0 DHABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CCCC1 ZINC000223105365 563731212 /nfs/dbraw/zinc/73/12/12/563731212.db2.gz WNVHVIXBSOJTJI-UHFFFAOYSA-N 0 0 319.792 3.539 40 0 DHABRN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc2c(c1)CCC2 ZINC000223225989 563732263 /nfs/dbraw/zinc/73/22/63/563732263.db2.gz YWOGRDQOZXBXMA-CABCVRRESA-N 0 0 309.409 3.820 40 0 DHABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccccc1 ZINC000223340623 563733534 /nfs/dbraw/zinc/73/35/34/563733534.db2.gz VTFRBGYQZIXAGW-INIZCTEOSA-N 0 0 323.436 3.991 40 0 DHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCC ZINC000223606016 563735102 /nfs/dbraw/zinc/73/51/02/563735102.db2.gz VCGHGQHMDVBUTJ-KRWDZBQOSA-N 0 0 318.461 3.510 40 0 DHABRN Cc1cccc(COC(=O)c2snnc2-c2cccs2)c1 ZINC000223847983 563737212 /nfs/dbraw/zinc/73/72/12/563737212.db2.gz JJAWQFHNKKBWSS-UHFFFAOYSA-N 0 0 316.407 3.932 40 0 DHABRN CC(C)c1ccccc1OCCNC(=O)Cc1ccccc1F ZINC000223836217 563737276 /nfs/dbraw/zinc/73/72/76/563737276.db2.gz FJHMOUYGKGAMIU-UHFFFAOYSA-N 0 0 315.388 3.687 40 0 DHABRN Cc1ccc(CNC(=S)Nc2cc(C)c(Cl)cn2)cc1 ZINC000223942799 563737979 /nfs/dbraw/zinc/73/79/79/563737979.db2.gz FUOCRTRREJYACP-UHFFFAOYSA-N 0 0 305.834 3.838 40 0 DHABRN Cc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1C ZINC000224037772 563738580 /nfs/dbraw/zinc/73/85/80/563738580.db2.gz IAJSPLVXUORBGG-UHFFFAOYSA-N 0 0 317.816 3.695 40 0 DHABRN S=C(Nc1ccc(N2CCCc3ccccc32)nc1)NC1CC1 ZINC000224031816 563738615 /nfs/dbraw/zinc/73/86/15/563738615.db2.gz ZXKLVZWHMHEDGO-UHFFFAOYSA-N 0 0 324.453 3.615 40 0 DHABRN O=C(Cc1ccc(Cl)cc1)NCCOc1ccccc1Cl ZINC000224037511 563738698 /nfs/dbraw/zinc/73/86/98/563738698.db2.gz DRMQNYFINGNNJC-UHFFFAOYSA-N 0 0 324.207 3.731 40 0 DHABRN CCN(CC)C(=O)c1ccc(OC)c(COc2ccccc2)c1 ZINC000224089769 563739138 /nfs/dbraw/zinc/73/91/38/563739138.db2.gz XVZZGXLIISQIEN-UHFFFAOYSA-N 0 0 313.397 3.756 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCC1CCCCC1 ZINC000224159362 563739897 /nfs/dbraw/zinc/73/98/97/563739897.db2.gz YGCLJVPWVSFTAE-QGZVFWFLSA-N 0 0 305.418 3.549 40 0 DHABRN COc1ccc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)cc1 ZINC000224154735 563740097 /nfs/dbraw/zinc/74/00/97/563740097.db2.gz LUWSOCTUDVQODL-ZDUSSCGKSA-N 0 0 307.434 3.794 40 0 DHABRN COc1ccc(/C=C/C(=O)NC(C)(C)Cc2ccccc2)cc1 ZINC000224523807 563742784 /nfs/dbraw/zinc/74/27/84/563742784.db2.gz FPPDXUKTZQSCDU-SDNWHVSQSA-N 0 0 309.409 3.846 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NCCSC2CCCC2)c1C ZINC000224527189 563742798 /nfs/dbraw/zinc/74/27/98/563742798.db2.gz FGVBKIZHJADOFJ-OAHLLOKOSA-N 0 0 321.486 3.863 40 0 DHABRN CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000224666779 563743754 /nfs/dbraw/zinc/74/37/54/563743754.db2.gz VQGCSQJCWZYFFE-UHFFFAOYSA-N 0 0 316.209 3.819 40 0 DHABRN CCOc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224683077 563743768 /nfs/dbraw/zinc/74/37/68/563743768.db2.gz QOWKNNUYWSOMSA-UHFFFAOYSA-N 0 0 319.426 3.609 40 0 DHABRN 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Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1cccs1 ZINC000225131074 563748972 /nfs/dbraw/zinc/74/89/72/563748972.db2.gz NEIDNDMEYGQKDH-UHFFFAOYSA-N 0 0 301.820 3.535 40 0 DHABRN CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000225134105 563749046 /nfs/dbraw/zinc/74/90/46/563749046.db2.gz RWZPESPCXPYNDP-UHFFFAOYSA-N 0 0 319.810 3.756 40 0 DHABRN O=C([O-])[C@H](Cc1ccccc1Oc1ccccc1)[NH+]1CCCC1 ZINC000225152311 563749846 /nfs/dbraw/zinc/74/98/46/563749846.db2.gz QMNIQOCJGWKUJM-KRWDZBQOSA-N 0 0 311.381 3.570 40 0 DHABRN CC[C@H](C)NC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 ZINC000225211784 563750373 /nfs/dbraw/zinc/75/03/73/563750373.db2.gz IAXXMSVBIPPFRK-VIFPVBQESA-N 0 0 322.455 3.773 40 0 DHABRN CCC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2)nn1 ZINC000225188758 563750458 /nfs/dbraw/zinc/75/04/58/563750458.db2.gz FFRDJJILSPJREP-GFCCVEGCSA-N 0 0 316.430 3.744 40 0 DHABRN CCC[C@H](C)NC(=S)Nc1nccc(-c2cccs2)n1 ZINC000225185976 563750493 /nfs/dbraw/zinc/75/04/93/563750493.db2.gz HEGHRBFPBCSSAW-JTQLQIEISA-N 0 0 306.460 3.680 40 0 DHABRN CN(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000028281079 563750942 /nfs/dbraw/zinc/75/09/42/563750942.db2.gz QSAIXKBJJAKBPX-UHFFFAOYSA-N 0 0 324.409 3.523 40 0 DHABRN Cc1ccc(CSCCNC(=S)Nc2cccnc2)cc1 ZINC000225294770 563751498 /nfs/dbraw/zinc/75/14/98/563751498.db2.gz MYXPSUWEOLIXSW-UHFFFAOYSA-N 0 0 317.483 3.610 40 0 DHABRN Cc1ccc(CN(C)C(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000225286381 563751615 /nfs/dbraw/zinc/75/16/15/563751615.db2.gz SAVBMTKRGAPYIG-UHFFFAOYSA-N 0 0 323.436 3.911 40 0 DHABRN CCOc1cc(Br)cc(C=O)c1OCC(C)C ZINC000225274914 563751697 /nfs/dbraw/zinc/75/16/97/563751697.db2.gz NNBPRIILNQZHEK-UHFFFAOYSA-N 0 0 301.180 3.695 40 0 DHABRN COc1ccc(CCC(=O)NCCCc2ccc(F)cc2)cc1 ZINC000225316344 563751953 /nfs/dbraw/zinc/75/19/53/563751953.db2.gz ZTAXXCDBASKRCE-UHFFFAOYSA-N 0 0 315.388 3.516 40 0 DHABRN COC(=O)c1ccc(C)c(NC(=S)NC(C(C)C)C(C)C)c1 ZINC000225327039 563752296 /nfs/dbraw/zinc/75/22/96/563752296.db2.gz GHYPPRKNUMUCFS-UHFFFAOYSA-N 0 0 322.474 3.749 40 0 DHABRN CC1(C)COc2ccc([C@@H](O)c3ccccc3F)cc2OC1 ZINC000225356843 563752672 /nfs/dbraw/zinc/75/26/72/563752672.db2.gz PIAGHEDQDOATOZ-QGZVFWFLSA-N 0 0 302.345 3.705 40 0 DHABRN COc1ccc(C(=O)NCCCc2ccccc2)cc1Cl ZINC000225382412 563753227 /nfs/dbraw/zinc/75/32/27/563753227.db2.gz DRSVLTPPJJASFW-UHFFFAOYSA-N 0 0 303.789 3.711 40 0 DHABRN CCCCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225379072 563753276 /nfs/dbraw/zinc/75/32/76/563753276.db2.gz ZPIQZIRRDSPYKK-UHFFFAOYSA-N 0 0 319.474 3.598 40 0 DHABRN CCC1(CC)C[C@@H](NC(=O)c2cccnc2)c2ccccc2O1 ZINC000225427647 563754791 /nfs/dbraw/zinc/75/47/91/563754791.db2.gz PBQXBMZWFZZLOH-MRXNPFEDSA-N 0 0 310.397 3.894 40 0 DHABRN COc1ccccc1Nc1ccc(C(=O)OC(C)C)cc1N ZINC000225429673 563754825 /nfs/dbraw/zinc/75/48/25/563754825.db2.gz WYNCWUVOXMAUIO-UHFFFAOYSA-N 0 0 300.358 3.586 40 0 DHABRN CC[C@@H](NC(=S)Nc1ccc(OC)nc1)c1ccccc1 ZINC000225482655 563756578 /nfs/dbraw/zinc/75/65/78/563756578.db2.gz SGYKLNKUIUXMJJ-CQSZACIVSA-N 0 0 301.415 3.528 40 0 DHABRN CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccccc1 ZINC000225482690 563757163 /nfs/dbraw/zinc/75/71/63/563757163.db2.gz SGYKLNKUIUXMJJ-AWEZNQCLSA-N 0 0 301.415 3.528 40 0 DHABRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000225492677 563757398 /nfs/dbraw/zinc/75/73/98/563757398.db2.gz UREZVRWBERFQRE-OAHLLOKOSA-N 0 0 313.397 3.509 40 0 DHABRN Cc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2F)cc1 ZINC000225711790 563760481 /nfs/dbraw/zinc/76/04/81/563760481.db2.gz YJTYDHUESHZKTJ-UHFFFAOYSA-N 0 0 321.779 3.525 40 0 DHABRN COc1cccnc1NC(=S)N[C@H](C)c1ccc(C)c(C)c1 ZINC000225708952 563760577 /nfs/dbraw/zinc/76/05/77/563760577.db2.gz KRVLEHBKQNKCOI-CYBMUJFWSA-N 0 0 315.442 3.755 40 0 DHABRN O=C(NC1CCCC1)c1snnc1-c1ccc(Cl)cc1 ZINC000225768725 563762785 /nfs/dbraw/zinc/76/27/85/563762785.db2.gz VGYMUKVWKBKUOF-UHFFFAOYSA-N 0 0 307.806 3.531 40 0 DHABRN Fc1cccc(NC(=S)NCCOc2ccccc2Cl)c1 ZINC000225779928 563763118 /nfs/dbraw/zinc/76/31/18/563763118.db2.gz IVDVWUJDKPARTB-UHFFFAOYSA-N 0 0 324.808 3.845 40 0 DHABRN COc1ccc(NC(=S)NCc2cccc(F)c2)cc1Cl ZINC000225836769 563764169 /nfs/dbraw/zinc/76/41/69/563764169.db2.gz LKPKLKTYKXFSSR-UHFFFAOYSA-N 0 0 324.808 3.974 40 0 DHABRN COc1ccc(CN(C)C(=O)c2conc2-c2ccccc2)cc1 ZINC000225869345 563765340 /nfs/dbraw/zinc/76/53/40/563765340.db2.gz ZEULPHNQUIMOML-UHFFFAOYSA-N 0 0 322.364 3.622 40 0 DHABRN CC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 ZINC000225882718 563766008 /nfs/dbraw/zinc/76/60/08/563766008.db2.gz AAVFEPGEHXSAMH-GOSISDBHSA-N 0 0 316.401 3.776 40 0 DHABRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)nc1 ZINC000225897313 563766442 /nfs/dbraw/zinc/76/64/42/563766442.db2.gz KYXZCVMUXFKTTC-QGZVFWFLSA-N 0 0 308.422 3.794 40 0 DHABRN CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cn1 ZINC000225888469 563766608 /nfs/dbraw/zinc/76/66/08/563766608.db2.gz YYNLGOKGCQBZMJ-UHFFFAOYSA-N 0 0 320.433 3.938 40 0 DHABRN CCCO[C@@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@H](C)C1 ZINC000225910945 563767275 /nfs/dbraw/zinc/76/72/75/563767275.db2.gz MBKUBTMFPIPDBY-UGSOOPFHSA-N 0 0 320.433 3.713 40 0 DHABRN CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cn1 ZINC000225905442 563767296 /nfs/dbraw/zinc/76/72/96/563767296.db2.gz OGZQURRSRWPRKQ-QGZVFWFLSA-N 0 0 308.422 3.794 40 0 DHABRN CC(=O)O[C@H]1[C@@H](c2ccccc2)CC[C@H](c2ccccc2)[C@@H]1O ZINC000031167661 563767952 /nfs/dbraw/zinc/76/79/52/563767952.db2.gz RRGRXDIGPVAQIW-ZRNYENFQSA-N 0 0 310.393 3.640 40 0 biogenic,in-vitro DHABRN CCc1cc(Br)cc(C)c1NC(=O)c1coc(C)n1 ZINC000226096583 563768204 /nfs/dbraw/zinc/76/82/04/563768204.db2.gz YTSKEIYMMVEETD-UHFFFAOYSA-N 0 0 323.190 3.869 40 0 DHABRN Cc1cccc2cc(C(=O)Nc3c(F)cccc3F)c(=O)oc12 ZINC000226034772 563768432 /nfs/dbraw/zinc/76/84/32/563768432.db2.gz MWGWADPVNCPHDC-UHFFFAOYSA-N 0 0 315.275 3.632 40 0 DHABRN CCCCc1ncc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)[nH]1 ZINC000257228771 563790592 /nfs/dbraw/zinc/79/05/92/563790592.db2.gz FVDURGWMSZKENI-CYBMUJFWSA-N 0 0 304.463 3.588 40 0 DHABRN Cc1ccc(CC(=O)N2CCC(C)(c3nccs3)CC2)s1 ZINC000257228027 563790934 /nfs/dbraw/zinc/79/09/34/563790934.db2.gz FSACVPVOCISPFX-UHFFFAOYSA-N 0 0 320.483 3.636 40 0 DHABRN CC(C)[N@@H+]1CC[C@H](Cc2cccnc2-c2ccccc2C(=O)[O-])C1 ZINC000257223600 563791054 /nfs/dbraw/zinc/79/10/54/563791054.db2.gz DYBDORGRYDZLBM-OAHLLOKOSA-N 0 0 324.424 3.720 40 0 DHABRN O=C(c1cc2ccccc2s1)N1CCC[C@@H]1c1ccncn1 ZINC000257239491 563791341 /nfs/dbraw/zinc/79/13/41/563791341.db2.gz HPMTZZZPRCWZHR-CQSZACIVSA-N 0 0 309.394 3.669 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccnc(Cl)c2)C1 ZINC000257230003 563791532 /nfs/dbraw/zinc/79/15/32/563791532.db2.gz GAHYRNWKYZORGC-CYBMUJFWSA-N 0 0 310.825 3.925 40 0 DHABRN Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)n1 ZINC000257230989 563791706 /nfs/dbraw/zinc/79/17/06/563791706.db2.gz GESRSBRIGNRDNY-KRWDZBQOSA-N 0 0 322.412 3.794 40 0 DHABRN O=C(c1cc2ccccc2s1)N1CCC[C@@H]1c1cnccn1 ZINC000257248326 563791877 /nfs/dbraw/zinc/79/18/77/563791877.db2.gz JDDHOZHALVDDNC-CQSZACIVSA-N 0 0 309.394 3.669 40 0 DHABRN CNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 ZINC000212177115 563803569 /nfs/dbraw/zinc/80/35/69/563803569.db2.gz KCLHECRYJPVSKZ-UHFFFAOYSA-N 0 0 310.184 3.679 40 0 DHABRN CCCOC(=O)c1cc(N)c(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000070462597 563813058 /nfs/dbraw/zinc/81/30/58/563813058.db2.gz XRMRLIKXJRQIJY-NSHDSACASA-N 0 0 310.825 3.868 40 0 DHABRN c1ccc(-c2cc(NCc3cccnc3)nc(NC3CC3)n2)cc1 ZINC000253450679 563815263 /nfs/dbraw/zinc/81/52/63/563815263.db2.gz PNBNZJQJNIEXBW-UHFFFAOYSA-N 0 0 317.396 3.725 40 0 DHABRN CCNc1nc(Nc2cc(C)ccc2C)cc(-c2ccccc2)n1 ZINC000329008146 563832847 /nfs/dbraw/zinc/83/28/47/563832847.db2.gz LQFKZQKWZOXSRM-UHFFFAOYSA-N 0 0 318.424 3.780 40 0 DHABRN CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)ncn1 ZINC000329038629 563833403 /nfs/dbraw/zinc/83/34/03/563833403.db2.gz RTMRLLDPODZLDN-CQSZACIVSA-N 0 0 310.445 3.985 40 0 DHABRN Cc1ccc(NCC2N=NC(=S)N2Cc2ccccc2)cc1 ZINC000013534436 563839825 /nfs/dbraw/zinc/83/98/25/563839825.db2.gz YCKQEIQBSOMHPZ-UHFFFAOYSA-N 0 0 310.426 3.536 40 0 DHABRN COc1ccc(OC)c(/C=C/C(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000005358979 563850560 /nfs/dbraw/zinc/85/05/60/563850560.db2.gz RMSOACOAAUKODE-LVDDQXARSA-N 0 0 324.376 3.923 40 0 DHABRN Cc1ccccc1N(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000000581149 563854258 /nfs/dbraw/zinc/85/42/58/563854258.db2.gz MIZNSSWNUOMKDB-UHFFFAOYSA-N 0 0 309.818 3.615 40 0 DHABRN O=C(COC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000003398621 563854954 /nfs/dbraw/zinc/85/49/54/563854954.db2.gz YLVKRAPDAVPALG-UHFFFAOYSA-N 0 0 323.270 3.501 40 0 DHABRN Nc1nnc(-c2ccc(OCc3ccccc3F)c(Cl)c2)o1 ZINC000216816267 563855459 /nfs/dbraw/zinc/85/54/59/563855459.db2.gz ROUVOSDUUOISIO-UHFFFAOYSA-N 0 0 319.723 3.690 40 0 DHABRN CCOc1ccc(C)cc1NC(=O)c1ccc(N)cc1Cl ZINC000216876993 563856435 /nfs/dbraw/zinc/85/64/35/563856435.db2.gz MMZFMCKWVJKBRW-UHFFFAOYSA-N 0 0 304.777 3.882 40 0 DHABRN NC(=O)/C=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000216897174 563857134 /nfs/dbraw/zinc/85/71/34/563857134.db2.gz FWPKTEWTEDWBAM-VAWYXSNFSA-N 0 0 303.361 3.917 40 0 DHABRN COC(=O)c1cccc(-c2nc3c(cc(OC)cc3Cl)[nH]2)c1 ZINC000216920101 563858461 /nfs/dbraw/zinc/85/84/61/563858461.db2.gz PLYCEXBRLSZCJS-UHFFFAOYSA-N 0 0 316.744 3.679 40 0 DHABRN Nc1ccc(-c2cc3ccccc3oc2=O)c(Br)c1 ZINC000216938857 563858833 /nfs/dbraw/zinc/85/88/33/563858833.db2.gz GVJWWBQHZQLLDT-UHFFFAOYSA-N 0 0 316.154 3.805 40 0 DHABRN CC(C)c1ccc2oc(-c3ccc(-n4cnnc4)cc3O)nc2c1 ZINC000045920461 563888746 /nfs/dbraw/zinc/88/87/46/563888746.db2.gz VASCSWMDXWHCFL-UHFFFAOYSA-N 0 0 320.352 3.905 40 0 DHABRN Fc1ccc2nc(-c3ccc(Cn4cnnc4)cc3)sc2c1 ZINC000045920815 563888884 /nfs/dbraw/zinc/88/88/84/563888884.db2.gz IOWCVKUKHGCWSN-UHFFFAOYSA-N 0 0 310.357 3.742 40 0 DHABRN COc1ccc(-c2nc3ccccc3s2)cc1-n1cnnc1 ZINC000045920691 563888911 /nfs/dbraw/zinc/88/89/11/563888911.db2.gz CXKUJHWZRREFMW-UHFFFAOYSA-N 0 0 308.366 3.553 40 0 DHABRN Cc1[nH]c2ccccc2c1Cc1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 ZINC000675031699 563909656 /nfs/dbraw/zinc/90/96/56/563909656.db2.gz YHNKLUAQUZVYTK-UHFFFAOYSA-N 0 0 317.352 3.525 40 0 DHABRN C[NH+](C)CCCOc1ccc2c(Cl)c(C(=O)[O-])sc2c1 ZINC000228951465 563914636 /nfs/dbraw/zinc/91/46/36/563914636.db2.gz UHBNBHRYHDWJRG-UHFFFAOYSA-N 0 0 313.806 3.583 40 0 DHABRN Cc1ccc(N(C)C(=O)Nc2ccc3nccnc3c2)cc1C ZINC000006205621 563921306 /nfs/dbraw/zinc/92/13/06/563921306.db2.gz OQGGDZCYMMMTNU-UHFFFAOYSA-N 0 0 306.369 3.915 40 0 DHABRN CCCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O ZINC000006629561 563921661 /nfs/dbraw/zinc/92/16/61/563921661.db2.gz LICWQXPQNCMDMO-NTCAYCPXSA-N 0 0 318.442 3.979 40 0 DHABRN CCOc1ccccc1CCCNC(=O)c1ccc(F)cc1 ZINC000010110849 563922597 /nfs/dbraw/zinc/92/25/97/563922597.db2.gz XVGCAGRFAAAKJX-UHFFFAOYSA-N 0 0 301.361 3.587 40 0 DHABRN OCc1cc(C(F)(F)F)nc2c(Br)cccc12 ZINC000685937417 563927072 /nfs/dbraw/zinc/92/70/72/563927072.db2.gz PCQOFQQQHZQNKF-UHFFFAOYSA-N 0 0 306.081 3.508 40 0 DHABRN Cc1cc(=O)c2c([nH]1)N(c1ccc(OC(F)(F)F)cc1C)CC2 ZINC000095096599 563930908 /nfs/dbraw/zinc/93/09/08/563930908.db2.gz XAUBBSQYWHCLDW-UHFFFAOYSA-N 0 0 324.302 3.997 40 0 DHABRN Clc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1 ZINC000096113198 563935542 /nfs/dbraw/zinc/93/55/42/563935542.db2.gz KYJLZDCFCBZTOC-GOSISDBHSA-N 0 0 317.816 3.620 40 0 biogenic,in-vitro DHABRN O=C1CSc2ccccc2N1C(=S)Nc1ccc(F)cc1 ZINC000028527141 563939533 /nfs/dbraw/zinc/93/95/33/563939533.db2.gz ACHLOWVSPCKYAO-UHFFFAOYSA-N 0 0 318.398 3.661 40 0 DHABRN COc1cccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1 ZINC000003098640 563942192 /nfs/dbraw/zinc/94/21/92/563942192.db2.gz MLFUMPAOXPZVDF-DHDCSXOGSA-N 0 0 313.740 3.693 40 0 DHABRN CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C ZINC000067890220 563950666 /nfs/dbraw/zinc/95/06/66/563950666.db2.gz XFMOYHLBBKSCRW-OCCSQVGLSA-N 0 0 306.450 3.702 40 0 biogenic,in-vitro DHABRN Oc1ccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1 ZINC000329051964 563960141 /nfs/dbraw/zinc/96/01/41/563960141.db2.gz VAQLWOBGOGZGFI-UHFFFAOYSA-N 0 0 318.380 4.167 40 0 DHABRN Cc1cc(Nc2cc(C3CC3)nc(NC(C)C)n2)ccc1F ZINC000329026522 563960175 /nfs/dbraw/zinc/96/01/75/563960175.db2.gz PMNVLSMFYRAMAV-UHFFFAOYSA-N 0 0 300.381 4.365 40 0 DHABRN COc1ccccc1Nc1cc(Cl)nc(-c2ccccc2)n1 ZINC000329065850 563960272 /nfs/dbraw/zinc/96/02/72/563960272.db2.gz XVJSRAMGZBWLMW-UHFFFAOYSA-N 0 0 311.772 4.549 40 0 DHABRN COc1cccc(CCCNC(=O)CCc2ccc(F)cc2)c1 ZINC000066435848 568413267 /nfs/dbraw/zinc/41/32/67/568413267.db2.gz UWVRNQORBGCYOK-UHFFFAOYSA-N 0 0 315.388 3.516 40 0 DHABRN Cc1ccc(NC(=O)CSc2nc(C)cc(C(F)F)n2)cc1 ZINC000002772072 1014339760 /nfs/dbraw/zinc/33/97/60/1014339760.db2.gz XOVJBHSOXKZILB-UHFFFAOYSA-N 0 0 323.368 3.762 40 0 DHABRN COC(=O)c1cc(C)c(OC(=O)c2ccccc2Cl)c(C)c1 ZINC000256052529 1019708262 /nfs/dbraw/zinc/70/82/62/1019708262.db2.gz NSAOGNNDNKUOCT-UHFFFAOYSA-N 0 0 318.756 3.963 40 0 DHABRN COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nc(C)cs1 ZINC000057152844 1022051862 /nfs/dbraw/zinc/05/18/62/1022051862.db2.gz PEXJMAIKFUFWDZ-ZDUSSCGKSA-N 0 0 316.426 3.909 40 0 DHABRN CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC000223280495 1024592884 /nfs/dbraw/zinc/59/28/84/1024592884.db2.gz OTORXPWUXPPRKN-HNNXBMFYSA-N 0 0 317.454 3.738 40 0 DHABRN Cc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)cc2C)cc1 ZINC000224691086 1024648034 /nfs/dbraw/zinc/64/80/34/1024648034.db2.gz YFBIZZTYGOEYQW-UHFFFAOYSA-N 0 0 303.427 3.745 40 0 DHABRN COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000013612780 1024836117 /nfs/dbraw/zinc/83/61/17/1024836117.db2.gz FWEDKWYRPIDWQE-MRXNPFEDSA-N 0 0 311.381 3.727 40 0 DHABRN c1ccc(OCCn2c(CN3CCCC3)nc3ccccc32)cc1 ZINC000076555507 185022677 /nfs/dbraw/zinc/02/26/77/185022677.db2.gz KHLDZDUVFAVIHN-UHFFFAOYSA-N 0 0 321.424 3.711 40 0 DHABRN O=C(CCc1c(Cl)cccc1Cl)NCc1ccncc1 ZINC000225347848 201695986 /nfs/dbraw/zinc/69/59/86/201695986.db2.gz FJQGKBOKEJBIMT-UHFFFAOYSA-N 0 0 309.196 3.637 40 0 DHABRN CC(C)(C)OC(=O)N1CCC2(CC1)CCNc1ccccc1O2 ZINC000095627731 185382854 /nfs/dbraw/zinc/38/28/54/185382854.db2.gz BPNLPHJZPFSGCC-UHFFFAOYSA-N 0 0 318.417 3.651 40 0 DHABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000096659216 185385010 /nfs/dbraw/zinc/38/50/10/185385010.db2.gz TVBPECLJYSOERG-UHFFFAOYSA-N 0 0 319.426 3.730 40 0 DHABRN CCc1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)cc1 ZINC000096761817 185386588 /nfs/dbraw/zinc/38/65/88/185386588.db2.gz AYFRJGZQZGKJQI-UHFFFAOYSA-N 0 0 311.425 3.765 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000079030768 185147426 /nfs/dbraw/zinc/14/74/26/185147426.db2.gz ZUCCFQYHVLRASO-UHFFFAOYSA-N 0 0 311.809 3.559 40 0 DHABRN Cc1ccc(SC[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1 ZINC000079440782 185171730 /nfs/dbraw/zinc/17/17/30/185171730.db2.gz IXQNNZZTKFQDQU-ZDUSSCGKSA-N 0 0 308.447 3.882 40 0 DHABRN CN(CCCNC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000225435768 201708228 /nfs/dbraw/zinc/70/82/28/201708228.db2.gz KDEZJXIEPOFOKR-UHFFFAOYSA-N 0 0 316.832 3.525 40 0 DHABRN Cc1ccc(OC[C@H](C)NC(=O)Cc2ccccc2F)cc1C ZINC000225450896 201711426 /nfs/dbraw/zinc/71/14/26/201711426.db2.gz QYHOYUQNTDUYSA-HNNXBMFYSA-N 0 0 315.388 3.569 40 0 DHABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 ZINC000013596258 190637615 /nfs/dbraw/zinc/63/76/15/190637615.db2.gz VVNJPKGURMZZKG-GFCCVEGCSA-N 0 0 301.773 3.697 40 0 DHABRN CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)N[C@@H](C)CC ZINC000225490914 201720031 /nfs/dbraw/zinc/72/00/31/201720031.db2.gz VTVLMQCEQYBMCG-RDJZCZTQSA-N 0 0 318.461 3.509 40 0 DHABRN O=C(NC1CCCCCC1)c1snnc1-c1cccs1 ZINC000225786985 201746283 /nfs/dbraw/zinc/74/62/83/201746283.db2.gz RYAMZLDHWSLNOM-UHFFFAOYSA-N 0 0 307.444 3.719 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)c2conc2-c2ccccc2)cc1 ZINC000225870235 201757013 /nfs/dbraw/zinc/75/70/13/201757013.db2.gz IRXYRZPXNNNVON-CYBMUJFWSA-N 0 0 322.364 3.841 40 0 DHABRN CCCO[C@]1(C(=O)Nc2ccc(OCC)nc2)CCC[C@H](C)C1 ZINC000225910583 201761656 /nfs/dbraw/zinc/76/16/56/201761656.db2.gz AWNQYZPLPCTWMU-KBXCAEBGSA-N 0 0 320.433 3.794 40 0 DHABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)nc1 ZINC000225907934 201761860 /nfs/dbraw/zinc/76/18/60/201761860.db2.gz XGEMZORLJXXOEJ-QGZVFWFLSA-N 0 0 308.422 3.794 40 0 DHABRN Cc1nc(C(=O)Nc2c(C)cc(Br)cc2C)co1 ZINC000226096566 201766432 /nfs/dbraw/zinc/76/64/32/201766432.db2.gz LJAMMNCNVJUJTK-UHFFFAOYSA-N 0 0 309.163 3.615 40 0 DHABRN Cc1cc(N)cc2nc(-c3cncc(Br)c3)oc21 ZINC000070461465 190898653 /nfs/dbraw/zinc/89/86/53/190898653.db2.gz CIQLKHMAVPEYQZ-UHFFFAOYSA-N 0 0 304.147 3.543 40 0 DHABRN Cc1cc(C)c(NC(=O)c2ccccc2Br)c(N)c1 ZINC000070462819 190900235 /nfs/dbraw/zinc/90/02/35/190900235.db2.gz VZWHPPKARJABGY-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN CC(C)(C)OC(=O)Nc1cncc(NC(=O)OC(C)(C)C)c1 ZINC000071261632 190949824 /nfs/dbraw/zinc/94/98/24/190949824.db2.gz AWJVWSPNCHWCIA-UHFFFAOYSA-N 0 0 309.366 3.776 40 0 DHABRN Cc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1N ZINC000072229450 191077501 /nfs/dbraw/zinc/07/75/01/191077501.db2.gz OCZQPRFPMHSCAK-UHFFFAOYSA-N 0 0 310.184 3.719 40 0 DHABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cccc(C)c1 ZINC000072228947 191077540 /nfs/dbraw/zinc/07/75/40/191077540.db2.gz LTLVHZOLFUNAQD-UHFFFAOYSA-N 0 0 320.396 3.699 40 0 DHABRN CN(C)c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1N ZINC000072229269 191077682 /nfs/dbraw/zinc/07/76/82/191077682.db2.gz VENKLOFEQATRSQ-UHFFFAOYSA-N 0 0 324.211 3.894 40 0 DHABRN Cc1cc(NC(=O)C(C)(C)Br)ccc1OC(C)C ZINC000225595348 186281612 /nfs/dbraw/zinc/28/16/12/186281612.db2.gz ZHHOVIJFXBDXGQ-UHFFFAOYSA-N 0 0 314.223 3.894 40 0 DHABRN CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC000225605080 186282757 /nfs/dbraw/zinc/28/27/57/186282757.db2.gz RPMOCRGIIYUWAD-MRXNPFEDSA-N 0 0 307.390 3.564 40 0 DHABRN CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC000225605107 186282873 /nfs/dbraw/zinc/28/28/73/186282873.db2.gz RPMOCRGIIYUWAD-INIZCTEOSA-N 0 0 307.390 3.564 40 0 DHABRN Fc1cccc(NC(=S)NCCCOC2CCCCC2)c1 ZINC000225617336 186283898 /nfs/dbraw/zinc/28/38/98/186283898.db2.gz SMRXAXAQLDXMPI-UHFFFAOYSA-N 0 0 310.438 3.852 40 0 DHABRN Cc1ccccc1CSCCNC(=O)Cc1cccs1 ZINC000225627975 186284261 /nfs/dbraw/zinc/28/42/61/186284261.db2.gz OOZPAGCPXXQMCD-UHFFFAOYSA-N 0 0 305.468 3.649 40 0 DHABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1 ZINC000225640501 186285950 /nfs/dbraw/zinc/28/59/50/186285950.db2.gz ICHQTANVLCRDJD-CYBMUJFWSA-N 0 0 318.417 3.888 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C ZINC000225645233 186286010 /nfs/dbraw/zinc/28/60/10/186286010.db2.gz RLNDTLVWCZKMKK-GOSISDBHSA-N 0 0 305.418 3.928 40 0 DHABRN CCC(C)(C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225645453 186286573 /nfs/dbraw/zinc/28/65/73/186286573.db2.gz BYNNGCUTMPMNMC-UHFFFAOYSA-N 0 0 319.474 3.597 40 0 DHABRN CCC(C)(C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225645423 186286771 /nfs/dbraw/zinc/28/67/71/186286771.db2.gz ARQGPJNGASQCSS-UHFFFAOYSA-N 0 0 319.474 3.597 40 0 DHABRN CC(C)N1CCOC[C@H]1c1nc(-c2cccc(Cl)c2)c[nH]1 ZINC000072322130 191122220 /nfs/dbraw/zinc/12/22/20/191122220.db2.gz DTOFPJYPTVDGLI-HNNXBMFYSA-N 0 0 305.809 3.512 40 0 biogenic,in-vitro DHABRN Cc1c[nH]nc1[C@@]1(C)CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072388846 191147455 /nfs/dbraw/zinc/14/74/55/191147455.db2.gz VKIQQDWVHJSDNA-KRWDZBQOSA-N 0 0 317.820 3.565 40 0 DHABRN Cc1cccc2cc3c(nc12)O[C@H](C)CN(Cc1ccco1)C3 ZINC000072392474 191148662 /nfs/dbraw/zinc/14/86/62/191148662.db2.gz SESAUOGVLBBHSY-CQSZACIVSA-N 0 0 308.381 3.919 40 0 DHABRN CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccco1)C3 ZINC000072396357 191149046 /nfs/dbraw/zinc/14/90/46/191149046.db2.gz MKPNRHBETYFFIU-UHFFFAOYSA-N 0 0 324.336 3.741 40 0 DHABRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)C1CCC1 ZINC000172698519 198138608 /nfs/dbraw/zinc/13/86/08/198138608.db2.gz BQNGXDJIPHSSFP-UHFFFAOYSA-N 0 0 304.390 3.882 40 0 DHABRN CCc1ccc([C@@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000001002322 180840458 /nfs/dbraw/zinc/84/04/58/180840458.db2.gz FVBCXPOWFVHVEH-CYBMUJFWSA-N 0 0 313.397 3.757 40 0 DHABRN CCc1ccc([C@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000001002323 180840860 /nfs/dbraw/zinc/84/08/60/180840860.db2.gz FVBCXPOWFVHVEH-ZDUSSCGKSA-N 0 0 313.397 3.757 40 0 DHABRN Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)C2CC2)s1 ZINC000001345330 180855794 /nfs/dbraw/zinc/85/57/94/180855794.db2.gz BMSNTZBHLLDZOS-UHFFFAOYSA-N 0 0 315.442 3.913 40 0 DHABRN CC(=O)Nc1cc2c(cc1Br)-c1ccccc1C2 ZINC000001580948 180875099 /nfs/dbraw/zinc/87/50/99/180875099.db2.gz HYSLAAVUYZNFHU-UHFFFAOYSA-N 0 0 302.171 3.979 40 0 DHABRN COC(=O)c1cc2c(c3c1C[C@H](Cc1ccccc1)C3=O)CCC2 ZINC000001646200 180883289 /nfs/dbraw/zinc/88/32/89/180883289.db2.gz BGIWYCNHIMSKGG-HNNXBMFYSA-N 0 0 320.388 3.560 40 0 DHABRN Nc1c(Cl)ncnc1NCc1ccc(Cl)c(Cl)c1 ZINC000001667213 180885781 /nfs/dbraw/zinc/88/57/81/180885781.db2.gz DSULIDZLAFYDCY-UHFFFAOYSA-N 0 0 303.580 3.631 40 0 DHABRN COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3CC[C@H]21 ZINC000001705298 180889909 /nfs/dbraw/zinc/88/99/09/180889909.db2.gz BSKWXDWRTACMCC-NEWSRXKRSA-N 0 0 302.414 3.879 40 0 DHABRN CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000002944702 180971438 /nfs/dbraw/zinc/97/14/38/180971438.db2.gz ZTBMOOKXITVSAM-FIYPYCPBSA-N 0 0 309.409 3.805 40 0 DHABRN C[C@@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000003898789 181054137 /nfs/dbraw/zinc/05/41/37/181054137.db2.gz MBMQEIFVQACCCH-QDBLGGKGSA-N 0 0 318.369 3.580 40 0 endogenous,in-man DHABRN COC(=O)[C@@H]1[C@H](C[C@H](O)c2ccccc2)[C@H]2CC[C@]1(C)C2(C)C ZINC000003846219 181048856 /nfs/dbraw/zinc/04/88/56/181048856.db2.gz LLZXMKJMTYWIHO-BAPGRXHISA-N 0 0 316.441 3.972 40 0 DHABRN CC(C)(C)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000004384739 181104823 /nfs/dbraw/zinc/10/48/23/181104823.db2.gz WHSGIOHGCBSACK-UHFFFAOYSA-N 0 0 320.392 3.679 40 0 DHABRN O=C(c1c(Cl)ccc(F)c1F)N1CCc2ccccc2C1 ZINC000004861066 181164456 /nfs/dbraw/zinc/16/44/56/181164456.db2.gz PJDJOXBZLGAHHH-UHFFFAOYSA-N 0 0 307.727 3.817 40 0 DHABRN O=C1C[C@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000004860183 181164688 /nfs/dbraw/zinc/16/46/88/181164688.db2.gz MYGHKFZMGWTNIN-LSYCYVAJSA-N 0 0 322.191 3.839 40 0 DHABRN O=C(/C=C/c1ccccc1Cl)NCCSc1ccccn1 ZINC000004893492 181169737 /nfs/dbraw/zinc/16/97/37/181169737.db2.gz XPTWIGSCUUWIGN-CMDGGOBGSA-N 0 0 318.829 3.657 40 0 DHABRN COc1cc2c(c(OC)c1OC)[C@@H]1CCCC[C@@H]1SC[C@@H]2O ZINC000004918129 181172751 /nfs/dbraw/zinc/17/27/51/181172751.db2.gz QSGJCDIDVQRUTA-OSMZGAPFSA-N 0 0 324.442 3.519 40 0 DHABRN CCc1cc(N)cc2nc(-c3cncc(Br)c3)oc21 ZINC000073642626 191334789 /nfs/dbraw/zinc/33/47/89/191334789.db2.gz BFNLHCRZISEYFA-UHFFFAOYSA-N 0 0 318.174 3.797 40 0 DHABRN c1ccc(-c2nnc(CN3CCCC[C@H]3c3cccnc3)o2)cc1 ZINC000005021847 181191627 /nfs/dbraw/zinc/19/16/27/181191627.db2.gz PUMMSKUXKAZGPS-KRWDZBQOSA-N 0 0 320.396 3.859 40 0 DHABRN O=C1CCC2=C3[C@@H]4CCCC[C@@H]4C(=O)[C@@H]4CCC[C@@H](O[C@H]2C1)[C@H]34 ZINC000005049450 181196749 /nfs/dbraw/zinc/19/67/49/181196749.db2.gz VETBAJOOAOCRGE-YYLJFWHLSA-N 0 0 314.425 3.609 40 0 DHABRN CC(C)[C@@H]1[C@@H](O)[C@@]23CC[C@H]4[C@](C)(CO)CCC[C@]4(C)[C@@H]2C[C@@H]13 ZINC000005104522 181203780 /nfs/dbraw/zinc/20/37/80/181203780.db2.gz GZDLNFIMMVRZGR-CZPVDLIWSA-N 0 0 306.490 3.854 40 0 DHABRN Ic1ccccc1/C=C/c1ccccn1 ZINC000005162214 181211644 /nfs/dbraw/zinc/21/16/44/181211644.db2.gz WRQGEDHMZRDHGA-CMDGGOBGSA-N 0 0 307.134 3.857 40 0 DHABRN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc(C)c1C ZINC000005375252 181236027 /nfs/dbraw/zinc/23/60/27/181236027.db2.gz DLGBDDPBBQPZFF-KRWDZBQOSA-N 0 0 313.353 3.602 40 0 DHABRN O=C(NCCc1ccccc1)c1cc2ccccc2nc1Cl ZINC000005446634 181244046 /nfs/dbraw/zinc/24/40/46/181244046.db2.gz NVJPOTOKBWRQLD-UHFFFAOYSA-N 0 0 310.784 3.861 40 0 DHABRN O=C(c1ccccc1)N1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000005600304 181262306 /nfs/dbraw/zinc/26/23/06/181262306.db2.gz PNXNXIYQZWURQC-KAMYIIQDSA-N 0 0 309.346 3.563 40 0 DHABRN CC[C@@H](C(=O)c1ccccc1)c1cccc2c1N(C(C)=O)CC2 ZINC000005599385 181262319 /nfs/dbraw/zinc/26/23/19/181262319.db2.gz BETPHMROWLUSHW-QGZVFWFLSA-N 0 0 307.393 3.972 40 0 DHABRN CC(=O)O[C@@]12c3ccccc3[C@@H]1CCCCCC21OCCCO1 ZINC000005664688 181269609 /nfs/dbraw/zinc/26/96/09/181269609.db2.gz MLMNSGWQZQFPCN-QFBILLFUSA-N 0 0 316.397 3.640 40 0 DHABRN O=c1oc2ccccc2cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1 ZINC000005704902 181274955 /nfs/dbraw/zinc/27/49/55/181274955.db2.gz WQDVHGGYPJKNJT-OAHLLOKOSA-N 0 0 324.767 3.885 40 0 DHABRN CC(=O)Oc1ccccc1C(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000005707321 181274962 /nfs/dbraw/zinc/27/49/62/181274962.db2.gz 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Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccccc2)c1C ZINC000022518939 182324525 /nfs/dbraw/zinc/32/45/25/182324525.db2.gz XJVWFBGEDZLCCD-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NCCCc2ccccc2)c1C ZINC000022518934 182324551 /nfs/dbraw/zinc/32/45/51/182324551.db2.gz XJVWFBGEDZLCCD-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000022524778 182325028 /nfs/dbraw/zinc/32/50/28/182325028.db2.gz UVHHJLHDGSWHHH-LSDHHAIUSA-N 0 0 313.397 3.648 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)cc1 ZINC000022523606 182325063 /nfs/dbraw/zinc/32/50/63/182325063.db2.gz HZNWJCTVULMTLV-INIZCTEOSA-N 0 0 303.333 3.630 40 0 DHABRN Cc1cc(C)c(C)c(OCC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000024036414 182373196 /nfs/dbraw/zinc/37/31/96/182373196.db2.gz LADDZVWCORZWTG-INIZCTEOSA-N 0 0 311.425 3.911 40 0 DHABRN COCc1cccc(NC(=O)CCCOc2ccc(C)cc2)c1 ZINC000025334907 182409955 /nfs/dbraw/zinc/40/99/55/182409955.db2.gz MQLPBABIOUFYTH-UHFFFAOYSA-N 0 0 313.397 3.939 40 0 DHABRN c1ccc(-c2nnc3n2N=C2c4ccccc4CC[C@H]2S3)cc1 ZINC000027526221 182475650 /nfs/dbraw/zinc/47/56/50/182475650.db2.gz USOMICCWZDYOMK-OAHLLOKOSA-N 0 0 318.405 3.618 40 0 DHABRN Cc1cc(C(=O)Nc2cnn(Cc3ccc(C)cc3)c2)c(C)o1 ZINC000027920010 182498002 /nfs/dbraw/zinc/49/80/02/182498002.db2.gz OOWALEKXPIRUMP-UHFFFAOYSA-N 0 0 309.369 3.702 40 0 DHABRN O=C(Nc1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000028539799 182528191 /nfs/dbraw/zinc/52/81/91/182528191.db2.gz BCKXXCNGALNXLZ-UHFFFAOYSA-N 0 0 305.259 3.834 40 0 DHABRN O=C(Nc1cccc(F)c1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000028539812 182528307 /nfs/dbraw/zinc/52/83/07/182528307.db2.gz PSJQPRQBEFKKRG-UHFFFAOYSA-N 0 0 323.249 3.973 40 0 DHABRN O=C(Cc1c[nH]c2ccccc12)Nc1cc(-c2ccccc2)[nH]n1 ZINC000028245823 182516839 /nfs/dbraw/zinc/51/68/39/182516839.db2.gz DCVHXBAJDUVRHX-UHFFFAOYSA-N 0 0 316.364 3.739 40 0 DHABRN CC(=O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 ZINC000098210692 193792027 /nfs/dbraw/zinc/79/20/27/193792027.db2.gz DLHZEHVGTRFRJK-SECBINFHSA-N 0 0 302.170 3.693 40 0 DHABRN COCc1cccc(NC(=O)CCc2nc3ccccc3o2)c1 ZINC000029146951 182554211 /nfs/dbraw/zinc/55/42/11/182554211.db2.gz JOZLAJJLZZKERO-UHFFFAOYSA-N 0 0 310.353 3.546 40 0 DHABRN OCn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000032109742 182636149 /nfs/dbraw/zinc/63/61/49/182636149.db2.gz TUJXULBWSRDDDU-UHFFFAOYSA-N 0 0 317.801 3.673 40 0 DHABRN Cc1ccc(C(=O)c2csc3nc(=O)sc-3c2)cc1C ZINC000032598189 182649440 /nfs/dbraw/zinc/64/94/40/182649440.db2.gz QRUGINFFUUKMPH-UHFFFAOYSA-N 0 0 301.392 3.517 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)c2ccc(Br)o2)cc1 ZINC000032610133 182650172 /nfs/dbraw/zinc/65/01/72/182650172.db2.gz MBZKFYZKOWKZKV-SECBINFHSA-N 0 0 324.174 3.542 40 0 DHABRN Cc1cccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)c1 ZINC000036635360 182831182 /nfs/dbraw/zinc/83/11/82/182831182.db2.gz PQOSIZCKNANPLQ-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000038752210 183008430 /nfs/dbraw/zinc/00/84/30/183008430.db2.gz KZEIPMWMSBSPCR-OAHLLOKOSA-N 0 0 313.353 3.520 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000038833314 183011272 /nfs/dbraw/zinc/01/12/72/183011272.db2.gz RBEZRPXBRJBFKJ-UHFFFAOYSA-N 0 0 305.381 3.801 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(Cl)c(F)c2)C1 ZINC000039954152 183023825 /nfs/dbraw/zinc/02/38/25/183023825.db2.gz WJEZWYXOSGWATG-LLVKDONJSA-N 0 0 315.772 3.867 40 0 DHABRN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCCC1 ZINC000040165616 183042824 /nfs/dbraw/zinc/04/28/24/183042824.db2.gz BQBONJLNPUQVBX-UHFFFAOYSA-N 0 0 318.804 3.974 40 0 DHABRN COc1ccc([C@H](O)c2ccccc2Br)cc1C ZINC000040262427 183049424 /nfs/dbraw/zinc/04/94/24/183049424.db2.gz IKAOJWJPBFMGMS-HNNXBMFYSA-N 0 0 307.187 3.848 40 0 DHABRN Cc1cccc(NC(=O)c2ccc(Br)c(N)c2)c1C ZINC000040293497 183051807 /nfs/dbraw/zinc/05/18/07/183051807.db2.gz UWTBNMCVAQRGBZ-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN OCCn1c(COc2cccc3ccccc32)nc2ccccc21 ZINC000040389146 183060243 /nfs/dbraw/zinc/06/02/43/183060243.db2.gz VKAXQEIHGRMQMW-UHFFFAOYSA-N 0 0 318.376 3.761 40 0 DHABRN CCOC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000040440692 183067633 /nfs/dbraw/zinc/06/76/33/183067633.db2.gz BYVJCZROJRQEAS-UHFFFAOYSA-N 0 0 306.774 3.893 40 0 DHABRN COc1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000040946455 183149813 /nfs/dbraw/zinc/14/98/13/183149813.db2.gz QHOHYQVDVOSLLH-UHFFFAOYSA-N 0 0 305.761 3.675 40 0 DHABRN COc1ccc2oc(=O)c(C(=O)Nc3cc(C)cc(C)c3)cc2c1 ZINC000040949244 183150847 /nfs/dbraw/zinc/15/08/47/183150847.db2.gz VVMICRKDDDBICH-UHFFFAOYSA-N 0 0 323.348 3.671 40 0 DHABRN O=Cc1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000041058259 183160757 /nfs/dbraw/zinc/16/07/57/183160757.db2.gz BZRUEYRDIQVUGT-UHFFFAOYSA-N 0 0 315.170 3.660 40 0 DHABRN CCOc1cccc(CNC(=S)Nc2ccc(F)cc2F)c1 ZINC000044155681 183396729 /nfs/dbraw/zinc/39/67/29/183396729.db2.gz QOKLLPQHUBWCIJ-UHFFFAOYSA-N 0 0 322.380 3.850 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)C1CCCCC1 ZINC000044884448 183446757 /nfs/dbraw/zinc/44/67/57/183446757.db2.gz RZDDEUGESXMKAX-QGZVFWFLSA-N 0 0 305.418 3.644 40 0 DHABRN CCOC(=O)c1cnc2cc(OC(F)(F)F)ccc2c1Cl ZINC000047913005 183608976 /nfs/dbraw/zinc/60/89/76/183608976.db2.gz XQRIHVPOLQTQIZ-UHFFFAOYSA-N 0 0 319.666 3.964 40 0 DHABRN COc1ccc(CCC(=O)NC(C)(C)CC(C)(C)C)cc1OC ZINC000057156227 184028683 /nfs/dbraw/zinc/02/86/83/184028683.db2.gz LWHMODSGYBQTDS-UHFFFAOYSA-N 0 0 321.461 3.967 40 0 DHABRN CCc1cc(I)cc(C)c1Br ZINC000057326508 184033257 /nfs/dbraw/zinc/03/32/57/184033257.db2.gz BSOVNNYDQLJJSJ-UHFFFAOYSA-N 0 0 324.987 3.925 40 0 DHABRN CCCC(=O)Nc1cc(N2CCC(C)CC2)c(N)cc1Cl ZINC000057326735 184033317 /nfs/dbraw/zinc/03/33/17/184033317.db2.gz BISXGRQHYIDFFZ-UHFFFAOYSA-N 0 0 309.841 3.897 40 0 DHABRN Cc1ccccc1CSCC(=O)NCCc1ccc(F)cc1 ZINC000058172196 184084493 /nfs/dbraw/zinc/08/44/93/184084493.db2.gz XUFVYMWOARUDGD-UHFFFAOYSA-N 0 0 317.429 3.726 40 0 DHABRN COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000059351098 184137387 /nfs/dbraw/zinc/13/73/87/184137387.db2.gz LGSUDEUKERYTSS-CQSZACIVSA-N 0 0 313.397 3.812 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(C)cc2C)cc1 ZINC000059351976 184137571 /nfs/dbraw/zinc/13/75/71/184137571.db2.gz AYIYTBIQIRCQBC-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN CN(C)C(=O)c1cccc(-c2nc3ccc(F)cc3s2)c1 ZINC000059843058 184141654 /nfs/dbraw/zinc/14/16/54/184141654.db2.gz UHKSLBIUXJKFJN-UHFFFAOYSA-N 0 0 300.358 3.804 40 0 DHABRN C[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1 ZINC000060906801 184157981 /nfs/dbraw/zinc/15/79/81/184157981.db2.gz JFWMABNPFDAPFJ-OAHLLOKOSA-N 0 0 315.438 3.504 40 0 DHABRN O=C(CCc1ccccc1F)NCCSc1ccccc1 ZINC000061083300 184161212 /nfs/dbraw/zinc/16/12/12/184161212.db2.gz NAISFXXOYVYJRU-UHFFFAOYSA-N 0 0 303.402 3.667 40 0 DHABRN Cc1cc(C)n(Cc2ccc(C(=O)N(C)c3ccccc3)cc2)n1 ZINC000061132655 184163156 /nfs/dbraw/zinc/16/31/56/184163156.db2.gz QODMBRGUBKTXAX-UHFFFAOYSA-N 0 0 319.408 3.825 40 0 DHABRN Cc1ccsc1-c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000065002315 184307811 /nfs/dbraw/zinc/30/78/11/184307811.db2.gz ZXPYIKZOLNZQIF-UHFFFAOYSA-N 0 0 302.424 3.900 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000113948564 194622003 /nfs/dbraw/zinc/62/20/03/194622003.db2.gz QIOJJCXDPCMINK-KGLIPLIRSA-N 0 0 301.361 3.779 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000113960011 194623853 /nfs/dbraw/zinc/62/38/53/194623853.db2.gz FJFCMOSGJXWBGW-WBMJQRKESA-N 0 0 319.351 4.000 40 0 DHABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(F)cc1 ZINC000113959522 194623928 /nfs/dbraw/zinc/62/39/28/194623928.db2.gz ZOAVURSAPPHKCR-KRWDZBQOSA-N 0 0 301.361 3.608 40 0 DHABRN CCOc1cc(CNC(=O)c2cc(C)ccc2C)ccc1OC ZINC000114292625 194644463 /nfs/dbraw/zinc/64/44/63/194644463.db2.gz KZRPDHMRBXNDBQ-UHFFFAOYSA-N 0 0 313.397 3.641 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000015340267 256525980 /nfs/dbraw/zinc/52/59/80/256525980.db2.gz VIEPRQRYCMYQJH-ZDUSSCGKSA-N 0 0 303.789 3.732 40 0 DHABRN Cc1cc(C)cc(OCC(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000014398576 256526372 /nfs/dbraw/zinc/52/63/72/256526372.db2.gz IFKGBVFGTXFJEC-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSC2CCCC2)c1 ZINC000225797027 256597474 /nfs/dbraw/zinc/59/74/74/256597474.db2.gz XPSSORXSMRYBCY-HNNXBMFYSA-N 0 0 321.486 3.863 40 0 DHABRN CC(C)(C)OC(=O)N1CCC/C1=C\C(=O)OCc1ccccc1 ZINC000096528442 257133564 /nfs/dbraw/zinc/13/35/64/257133564.db2.gz SRIXSNHHHFUDCR-NTCAYCPXSA-N 0 0 317.385 3.645 40 0 DHABRN CC(C)(C)OC(=O)NCCCC(=O)c1ccc2[nH]ccc2c1 ZINC000072221716 257124363 /nfs/dbraw/zinc/12/43/63/257124363.db2.gz KESDCVFUWGGGBL-UHFFFAOYSA-N 0 0 302.374 3.656 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216736 257124941 /nfs/dbraw/zinc/12/49/41/257124941.db2.gz JJNZWRODKCTJQJ-QGZVFWFLSA-N 0 0 301.434 3.536 40 0 DHABRN Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)cnc1N(C)C ZINC000072218656 257125294 /nfs/dbraw/zinc/12/52/94/257125294.db2.gz KTBGJOMISICZLX-SFHVURJKSA-N 0 0 323.440 3.823 40 0 DHABRN CCN(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072212752 257127172 /nfs/dbraw/zinc/12/71/72/257127172.db2.gz UKSDBCSFXFRGAC-SFHVURJKSA-N 0 0 323.440 3.905 40 0 DHABRN CCCNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072213202 257127273 /nfs/dbraw/zinc/12/72/73/257127273.db2.gz SVAROYXVZNULED-QGZVFWFLSA-N 0 0 309.413 3.881 40 0 DHABRN COc1ccc(NCc2nnc(-c3cccc(Cl)c3)[nH]2)cc1 ZINC000040174471 257130004 /nfs/dbraw/zinc/13/00/04/257130004.db2.gz XMMFJHMUMNNTEN-UHFFFAOYSA-N 0 0 314.776 3.746 40 0 DHABRN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)c1 ZINC000059227346 257217187 /nfs/dbraw/zinc/21/71/87/257217187.db2.gz KNRHCEFEIBVOLH-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3C)CC2=O)c1 ZINC000059227268 257217314 /nfs/dbraw/zinc/21/73/14/257217314.db2.gz PJDSPRHAYNZHKC-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1 ZINC000021596420 257217646 /nfs/dbraw/zinc/21/76/46/257217646.db2.gz YYSRBCQALBNPDL-UHFFFAOYSA-N 0 0 312.438 3.993 40 0 DHABRN Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000010110823 257218103 /nfs/dbraw/zinc/21/81/03/257218103.db2.gz XPMKATUQSPBEAX-OAHLLOKOSA-N 0 0 315.388 3.650 40 0 DHABRN CCCOc1ccc(CNC(=O)c2ccc(C)cc2)cc1OC ZINC000006204672 257218688 /nfs/dbraw/zinc/21/86/88/257218688.db2.gz SEUJDIVSBOEPIM-UHFFFAOYSA-N 0 0 313.397 3.722 40 0 DHABRN Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc(C(=O)[O-])c(O)c1 ZINC000005539004 257218711 /nfs/dbraw/zinc/21/87/11/257218711.db2.gz NBJXCXABHBDKTB-UHFFFAOYSA-O 0 0 320.368 3.651 40 0 DHABRN Fc1ccc(CSc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000409384867 257220057 /nfs/dbraw/zinc/22/00/57/257220057.db2.gz GCGGJXLGKHFHLF-UHFFFAOYSA-N 0 0 315.373 3.815 40 0 DHABRN CCN1C(=O)N/C(=C\c2ccccc2Sc2ccccc2)C1=O ZINC000409232697 257220480 /nfs/dbraw/zinc/22/04/80/257220480.db2.gz OWCSPPSRAFAQRX-QINSGFPZSA-N 0 0 324.405 3.750 40 0 DHABRN CCc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409235245 257220773 /nfs/dbraw/zinc/22/07/73/257220773.db2.gz OLDXWTZXBZRAAC-LDADJPATSA-N 0 0 320.392 3.650 40 0 DHABRN CCc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccccc1 ZINC000409198555 257221058 /nfs/dbraw/zinc/22/10/58/257221058.db2.gz BYSZLMUDCUENMU-ZCXUNETKSA-N 0 0 312.394 3.650 40 0 DHABRN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1C1CC1 ZINC000409145783 257222039 /nfs/dbraw/zinc/22/20/39/257222039.db2.gz QYKZRDVVSQMMDS-ZSOIEALJSA-N 0 0 304.415 3.885 40 0 DHABRN CCN1c2ccccc2/C(=C/c2ccc(OC)c(C)c2OC)C1=O ZINC000409114733 257222587 /nfs/dbraw/zinc/22/25/87/257222587.db2.gz IYKYWDVIACZOHT-VBKFSLOCSA-N 0 0 323.392 3.919 40 0 DHABRN CC[C@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O ZINC000409011291 257224116 /nfs/dbraw/zinc/22/41/16/257224116.db2.gz FYJVSICACYBMPX-YWEFTTLKSA-N 0 0 321.398 3.539 40 0 DHABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O ZINC000409011287 257224196 /nfs/dbraw/zinc/22/41/96/257224196.db2.gz FYJVSICACYBMPX-QQMDNXKGSA-N 0 0 321.398 3.539 40 0 DHABRN Cc1ccc(-c2nnc(CN(C)C(=O)C3CCCCC3)o2)cc1 ZINC000408714786 257227901 /nfs/dbraw/zinc/22/79/01/257227901.db2.gz WTFJYVMLUXDCPK-UHFFFAOYSA-N 0 0 313.401 3.584 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCCSC2CCCCC2)cc1 ZINC000408680514 257228593 /nfs/dbraw/zinc/22/85/93/257228593.db2.gz MVBKWRMFIWSURC-OAHLLOKOSA-N 0 0 321.486 3.944 40 0 DHABRN Cc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000408629834 257228706 /nfs/dbraw/zinc/22/87/06/257228706.db2.gz IUDXWECLIHXDON-UHFFFAOYSA-N 0 0 305.399 3.583 40 0 DHABRN Nc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 ZINC000020546440 257212946 /nfs/dbraw/zinc/21/29/46/257212946.db2.gz ZNGFEGYTHAVKFJ-UHFFFAOYSA-N 0 0 303.774 3.784 40 0 DHABRN Cc1ccccc1CCC(=O)c1ccc(N2CCOCC2)cc1 ZINC000228921379 257214687 /nfs/dbraw/zinc/21/46/87/257214687.db2.gz HFMULSCAYIHBNS-UHFFFAOYSA-N 0 0 309.409 3.647 40 0 DHABRN COc1cc(OC)cc(C(=O)NCc2ccc3ccccc3c2)c1 ZINC000071861487 184873340 /nfs/dbraw/zinc/87/33/40/184873340.db2.gz SHAHWEIWAVMLAJ-UHFFFAOYSA-N 0 0 321.376 3.787 40 0 DHABRN COc1cccc2cc(C(=O)NCCc3ccc(F)cc3)oc21 ZINC000073874436 184940664 /nfs/dbraw/zinc/94/06/64/184940664.db2.gz JNKKOCQZFOUJKD-UHFFFAOYSA-N 0 0 313.328 3.553 40 0 DHABRN C[C@]12C[C@H](NC(=O)N1c1cc(F)ccc1F)c1ccccc1O2 ZINC000000422982 134436873 /nfs/dbraw/zinc/43/68/73/134436873.db2.gz OFCJRBVQXGKLMM-GUYCJALGSA-N 0 0 316.307 3.734 40 0 DHABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1 ZINC000134267068 196374644 /nfs/dbraw/zinc/37/46/44/196374644.db2.gz XXLGKBUXQCWBHV-UHFFFAOYSA-N 0 0 307.806 3.987 40 0 DHABRN CC1(C)CC(=O)C2=C(c3ccc(Cl)c(Cl)c3)NN[C@H]2C1 ZINC000228978725 262505047 /nfs/dbraw/zinc/50/50/47/262505047.db2.gz IHOACUOGBCJMIG-AAEUAGOBSA-N 0 0 311.212 3.675 40 0 DHABRN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1O ZINC000255916301 331819030 /nfs/dbraw/zinc/81/90/30/331819030.db2.gz DGHSGCJJMNPWSA-GHXNOFRVSA-N 0 0 315.756 3.937 40 0 DHABRN Cc1cccc(NC(=O)COc2ccc(C=O)cc2Cl)c1C ZINC000020393435 333320055 /nfs/dbraw/zinc/32/00/55/333320055.db2.gz HQVKMZZSSBQSKJ-UHFFFAOYSA-N 0 0 317.772 3.787 40 0 DHABRN Cc1c(NC(=O)C(F)(F)F)cccc1-c1nc2ncccc2o1 ZINC000057316732 333396627 /nfs/dbraw/zinc/39/66/27/333396627.db2.gz RZISBXFNGFFPIV-UHFFFAOYSA-N 0 0 321.258 3.699 40 0 DHABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(F)cc1 ZINC000045888990 518188101 /nfs/dbraw/zinc/18/81/01/518188101.db2.gz AXQTVNWSDNFOQC-UHFFFAOYSA-N 0 0 315.373 3.887 40 0 DHABRN CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)n1 ZINC000328976778 528001693 /nfs/dbraw/zinc/00/16/93/528001693.db2.gz FPSKTPQHEYSGCZ-UHFFFAOYSA-N 0 0 323.227 3.680 40 0 DHABRN Cc1ccc(C(=O)NCCSCc2ccco2)c(Cl)c1 ZINC000224995987 563745742 /nfs/dbraw/zinc/74/57/42/563745742.db2.gz JJIMHVMOXFLVFW-UHFFFAOYSA-N 0 0 309.818 3.905 40 0 DHABRN CCOC(=O)c1ccc(NC(=S)NC2CCCCC2)c(C)c1 ZINC000225279006 563751564 /nfs/dbraw/zinc/75/15/64/563751564.db2.gz PNGSNDATNNYNPC-UHFFFAOYSA-N 0 0 320.458 3.791 40 0 DHABRN CCCCOc1ncc(NC(=O)[C@](C)(CC)OCC)cc1C ZINC000225893288 563766404 /nfs/dbraw/zinc/76/64/04/563766404.db2.gz MXRNXRMNTDYLLY-KRWDZBQOSA-N 0 0 308.422 3.713 40 0 DHABRN OC(=CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000001614996 563288124 /nfs/dbraw/zinc/28/81/24/563288124.db2.gz HMFWHIKBUSOVKW-UHFFFAOYSA-N 0 0 320.616 3.769 40 0 DHABRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000049168851 560084820 /nfs/dbraw/zinc/08/48/20/560084820.db2.gz BYIMNHQLXPOGQV-HNNXBMFYSA-N 0 0 322.364 3.516 40 0 biogenic,in-vitro DHABRN Cc1cc(O)c(C)c2c1Oc1c(C)c(O)cc(C)c1C(=O)O2 ZINC000031160738 560090443 /nfs/dbraw/zinc/09/04/43/560090443.db2.gz JURQVQJHQONKKH-UHFFFAOYSA-N 0 0 300.310 3.656 40 0 biogenic,in-vitro DHABRN CC(C)OC(=O)c1cc(N)c(N2CCC(C)CC2)c(Cl)c1 ZINC000070462611 563497863 /nfs/dbraw/zinc/49/78/63/563497863.db2.gz BPCHWEMHERUUSU-UHFFFAOYSA-N 0 0 310.825 3.724 40 0 DHABRN CC(C)=CCC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O ZINC000000052079 563211987 /nfs/dbraw/zinc/21/19/87/563211987.db2.gz FKRFVQBBBINMFD-ZWKOTPCHSA-N 0 0 303.402 3.852 40 0 DHABRN O=C1OC(c2ccccc2)=N/C1=C/c1c(O)ccc2ccccc21 ZINC000000207244 563230544 /nfs/dbraw/zinc/23/05/44/563230544.db2.gz ROBNYAKIJZGSBC-SFQUDFHCSA-N 0 0 315.328 3.890 40 0 DHABRN Nc1nc2ccc(Cc3ccc4nc(N)sc4c3)cc2s1 ZINC000000333237 563241409 /nfs/dbraw/zinc/24/14/09/563241409.db2.gz UGBRCVPNANACCI-UHFFFAOYSA-N 0 0 312.423 3.661 40 0 DHABRN C=CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000000338365 563242024 /nfs/dbraw/zinc/24/20/24/563242024.db2.gz PGUZPBCGTWLMEW-UHFFFAOYSA-N 0 0 304.393 3.925 40 0 biogenic,in-vitro DHABRN COc1cc(C(=O)O[C@@H]2C[C@H]3C[C@]2(C)CC3(C)C)ccc1O ZINC000000519681 563264246 /nfs/dbraw/zinc/26/42/46/563264246.db2.gz UYRQNTGJUQGOJG-WBHUJUFNSA-N 0 0 304.386 3.772 40 0 DHABRN Cc1ccccc1CSc1nnc(-c2ccccc2C)n1N ZINC000000530060 563264707 /nfs/dbraw/zinc/26/47/07/563264707.db2.gz XLUNLNXRLRORHQ-UHFFFAOYSA-N 0 0 310.426 3.568 40 0 DHABRN Cc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)s1 ZINC000000587758 563268332 /nfs/dbraw/zinc/26/83/32/563268332.db2.gz JDNZZDJYHNGUHP-UVTDQMKNSA-N 0 0 314.435 3.661 40 0 DHABRN CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000000917716 563272949 /nfs/dbraw/zinc/27/29/49/563272949.db2.gz BFVIBMGKIIFIGN-UHFFFAOYSA-N 0 0 310.397 3.938 40 0 DHABRN Cc1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000001096403 563277151 /nfs/dbraw/zinc/27/71/51/563277151.db2.gz NTKWNAHPPVLDIX-UHFFFAOYSA-N 0 0 310.397 3.613 40 0 DHABRN Clc1ccc2c(c1)[nH+]c1c(c2N2CCOCC2)CCCC1 ZINC000001621215 563288015 /nfs/dbraw/zinc/28/80/15/563288015.db2.gz OAYYZVDKQAYGFV-UHFFFAOYSA-N 0 0 302.805 3.604 40 0 DHABRN CC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)c(Cl)cc1-2 ZINC000001638375 563288502 /nfs/dbraw/zinc/28/85/02/563288502.db2.gz SATQFYPEVFKHAD-UHFFFAOYSA-N 0 0 314.772 3.828 40 0 DHABRN Cc1cc(Br)ccc1S(=O)(=O)c1ccccc1 ZINC000001641121 563288796 /nfs/dbraw/zinc/28/87/96/563288796.db2.gz OJNHPSZKKXOKBB-UHFFFAOYSA-N 0 0 311.200 3.590 40 0 DHABRN CCN(CC)C(=O)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000001668199 563289929 /nfs/dbraw/zinc/28/99/29/563289929.db2.gz FJCCGLKUYYSNHH-UHFFFAOYSA-N 0 0 324.468 3.920 40 0 DHABRN CC(=O)OCCCC[C@H]1CO[C@H](c2ccc(C(C)C)cc2)O1 ZINC000001681896 563291381 /nfs/dbraw/zinc/29/13/81/563291381.db2.gz DDLOGTGEIHACKY-ROUUACIJSA-N 0 0 306.402 3.957 40 0 DHABRN Cc1nc2c(cnn2C)c(Nc2cc(Cl)ccc2Cl)n1 ZINC000001718455 563293132 /nfs/dbraw/zinc/29/31/32/563293132.db2.gz XADQBEFTTPPIHA-UHFFFAOYSA-N 0 0 308.172 3.722 40 0 DHABRN COc1ccc2c(c1C)CN1CCc3cc4c(cc3C1=C2)OCO4 ZINC000001713144 563293239 /nfs/dbraw/zinc/29/32/39/563293239.db2.gz NXBACXXHAYLEBS-UHFFFAOYSA-N 0 0 321.376 3.602 40 0 DHABRN COP(=O)(OC)O/C(C)=C/C(=O)O[C@@H](C)c1ccccc1 ZINC000002036835 563298333 /nfs/dbraw/zinc/29/83/33/563298333.db2.gz XXXSILNSXNPGKG-IIANPFDCSA-N 0 0 314.274 3.612 40 0 in-man DHABRN CCOP(=O)(OCC)c1ccc(C(=O)c2ccccc2)cc1 ZINC000002518184 563307164 /nfs/dbraw/zinc/30/71/64/563307164.db2.gz YSOIPLCPPKSKSR-UHFFFAOYSA-N 0 0 318.309 3.809 40 0 DHABRN CC[C@@H](C)O[P@@](=O)(CC(=O)N(CC)CC)O[C@@H](C)CC ZINC000003075439 563321121 /nfs/dbraw/zinc/32/11/21/563321121.db2.gz XBEYPEFIJYPKLA-QNBIARANSA-N 0 0 307.371 3.678 40 0 DHABRN CC1=C[C@@H](Cc2ccccc2)NN=C2C=Cc3ccccc3N21 ZINC000005261098 563329030 /nfs/dbraw/zinc/32/90/30/563329030.db2.gz GEZPTRPWWTWZRY-SFHVURJKSA-N 0 0 301.393 3.952 40 0 DHABRN Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccccc3)n2)c1 ZINC000035316248 563331551 /nfs/dbraw/zinc/33/15/51/563331551.db2.gz MDKYRRIQXHAQJS-UHFFFAOYSA-N 0 0 307.353 3.535 40 0 DHABRN S=C(NCc1ccc(Cl)nc1)Nc1cccc(Cl)c1 ZINC000006925983 563335292 /nfs/dbraw/zinc/33/52/92/563335292.db2.gz QEKZTCXBGRJRDB-UHFFFAOYSA-N 0 0 312.225 3.875 40 0 DHABRN Cc1cc(C)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000006922229 563335321 /nfs/dbraw/zinc/33/53/21/563335321.db2.gz CGYBHVUSAVJKCP-UHFFFAOYSA-N 0 0 316.470 3.971 40 0 DHABRN COc1ccc(SCC(=O)NCc2ccccc2Cl)cc1 ZINC000007135001 563336680 /nfs/dbraw/zinc/33/66/80/563336680.db2.gz WBFLLXKKJBXMCY-UHFFFAOYSA-N 0 0 321.829 3.757 40 0 DHABRN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1F ZINC000007263871 563337191 /nfs/dbraw/zinc/33/71/91/563337191.db2.gz XOBGJOCZSFHDMF-UHFFFAOYSA-N 0 0 313.250 3.862 40 0 DHABRN Fc1cccc(NC(=S)NCCSc2ccccc2)c1 ZINC000007926074 563343432 /nfs/dbraw/zinc/34/34/32/563343432.db2.gz BPUUQQRZPYYGLK-UHFFFAOYSA-N 0 0 306.431 3.904 40 0 DHABRN CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1 ZINC000008162927 563344469 /nfs/dbraw/zinc/34/44/69/563344469.db2.gz ATMOOTOCXIAUNO-MRXNPFEDSA-N 0 0 313.397 3.893 40 0 DHABRN S=c1[nH]c2ccccc2c2nc(-c3ccc(Cl)cc3)nn21 ZINC000008559862 563348070 /nfs/dbraw/zinc/34/80/70/563348070.db2.gz LKCVAORBOPBPBA-UHFFFAOYSA-N 0 0 312.785 3.887 40 0 DHABRN O=C(C[C@@H]1CCCO1)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000036719550 563354780 /nfs/dbraw/zinc/35/47/80/563354780.db2.gz DBHYFDDKMQQRBN-NIMBFUQJSA-N 0 0 313.441 3.644 40 0 DHABRN COc1cccc(NC(=O)NCCSc2ccccc2)c1 ZINC000011553730 563358027 /nfs/dbraw/zinc/35/80/27/563358027.db2.gz VKOXCROVZICLNY-UHFFFAOYSA-N 0 0 302.399 3.609 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)Cc2ccc(CC)cc2)cc1 ZINC000010812400 563358498 /nfs/dbraw/zinc/35/84/98/563358498.db2.gz INBWFSGXWFQLAP-UHFFFAOYSA-N 0 0 311.381 3.607 40 0 DHABRN CC(C)c1ccc(OCCn2c(CO)nc3ccccc32)cc1 ZINC000011735022 563359134 /nfs/dbraw/zinc/35/91/34/563359134.db2.gz AQWMBGYDPUTXLW-UHFFFAOYSA-N 0 0 310.397 3.731 40 0 DHABRN Cc1cc(C(F)(F)F)nc2nc(NC(=O)C3CCC3)ccc12 ZINC000012113583 563361825 /nfs/dbraw/zinc/36/18/25/563361825.db2.gz SJZGRMZBBFOKGM-UHFFFAOYSA-N 0 0 309.291 3.696 40 0 DHABRN Cc1cc([C@@H]2CCCCCN2C(=O)c2cccc(F)c2)on1 ZINC000012133851 563362360 /nfs/dbraw/zinc/36/23/60/563362360.db2.gz KWUJEXISQOLWHX-HNNXBMFYSA-N 0 0 302.349 3.880 40 0 DHABRN CCC[C@H]1c2cccn2CCN1C(=O)c1nc2cc(C)ccc2[nH]1 ZINC000012147485 563362886 /nfs/dbraw/zinc/36/28/86/563362886.db2.gz YGGBUMQBDUGJPL-KRWDZBQOSA-N 0 0 322.412 3.670 40 0 DHABRN Fc1ccc(CNc2c(-c3ccccn3)nc3cnccn32)cc1 ZINC000012144584 563363260 /nfs/dbraw/zinc/36/32/60/563363260.db2.gz IZFPZVIRQHPHIJ-UHFFFAOYSA-N 0 0 319.343 3.543 40 0 DHABRN CC(C)(C)c1ncc(C(=O)Nc2cccc(N3CCCC3)c2)cn1 ZINC000012148446 563363367 /nfs/dbraw/zinc/36/33/67/563363367.db2.gz VVRDICUHFXVGNY-UHFFFAOYSA-N 0 0 324.428 3.627 40 0 DHABRN O=C(c1ccncc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000012188062 563363924 /nfs/dbraw/zinc/36/39/24/563363924.db2.gz UEFYMHAYHBZGNV-GOSISDBHSA-N 0 0 317.392 3.650 40 0 DHABRN O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012221911 563364477 /nfs/dbraw/zinc/36/44/77/563364477.db2.gz VENRGQBLEHEOOB-QGZVFWFLSA-N 0 0 323.371 3.608 40 0 DHABRN Cc1ccc(-c2nc(N3CCCC3)ncc2-c2ccncc2)cn1 ZINC000012232719 563364692 /nfs/dbraw/zinc/36/46/92/563364692.db2.gz RTFRVEQEFWWVDR-UHFFFAOYSA-N 0 0 317.396 3.509 40 0 DHABRN CC[C@]1(C)C(=O)O[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000012648293 563372091 /nfs/dbraw/zinc/37/20/91/563372091.db2.gz DYWWDZQRZYAPHQ-PKOBYXMFSA-N 0 0 309.365 3.553 40 0 DHABRN Oc1ccc(CCCC[C@@H](O)CCc2ccc(O)cc2)cc1 ZINC000013384944 563381463 /nfs/dbraw/zinc/38/14/63/563381463.db2.gz UYJAYWZGEZOHRU-QGZVFWFLSA-N 0 0 300.398 3.804 40 0 biogenic,in-vitro DHABRN S=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000013547016 563383423 /nfs/dbraw/zinc/38/34/23/563383423.db2.gz FRMVUUXHYGCYIC-UHFFFAOYSA-N 0 0 305.786 3.534 40 0 DHABRN COc1cccc(CCCNC(=O)c2ccc(Cl)cc2)c1 ZINC000013669465 563384904 /nfs/dbraw/zinc/38/49/04/563384904.db2.gz LFUZODKCONXAOF-UHFFFAOYSA-N 0 0 303.789 3.711 40 0 DHABRN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 ZINC000013710654 563386852 /nfs/dbraw/zinc/38/68/52/563386852.db2.gz RSJOWRDGSBEPGC-OAHLLOKOSA-N 0 0 311.381 3.912 40 0 DHABRN COc1ccccc1CNC(=S)Nc1ccccc1Cl ZINC000013815024 563389921 /nfs/dbraw/zinc/38/99/21/563389921.db2.gz XVSGWBCUVOUKMK-UHFFFAOYSA-N 0 0 306.818 3.835 40 0 DHABRN CCc1ccc(NC(=S)NCCc2ccc(OC)cc2)cc1 ZINC000013816687 563390209 /nfs/dbraw/zinc/39/02/09/563390209.db2.gz MVIQBZLWMDRJQM-UHFFFAOYSA-N 0 0 314.454 3.787 40 0 DHABRN COC(=O)[C@@H](C)c1cccc([C@@H](c2ccccc2)n2ccnc2)c1 ZINC000013898175 563391560 /nfs/dbraw/zinc/39/15/60/563391560.db2.gz YRSBGQIQVSGCJT-HNAYVOBHSA-N 0 0 320.392 3.797 40 0 in-man DHABRN CCOc1ccccc1NC(=S)NCc1ccccc1F ZINC000013937090 563392653 /nfs/dbraw/zinc/39/26/53/563392653.db2.gz IGPQITNRLNBVKW-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014219024 563398520 /nfs/dbraw/zinc/39/85/20/563398520.db2.gz HJYIDNRYIMJNQP-AWEZNQCLSA-N 0 0 303.427 3.597 40 0 DHABRN O=C(Cc1ccc(F)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000014790084 563402845 /nfs/dbraw/zinc/40/28/45/563402845.db2.gz SSZKDHLZZCDOHM-UHFFFAOYSA-N 0 0 311.278 3.703 40 0 DHABRN COc1ccc(CNC(=O)CSCc2cccc(C)c2)cc1 ZINC000015013743 563405560 /nfs/dbraw/zinc/40/55/60/563405560.db2.gz YLKFQCZXPGTYDF-UHFFFAOYSA-N 0 0 315.438 3.553 40 0 DHABRN Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000015316412 563409133 /nfs/dbraw/zinc/40/91/33/563409133.db2.gz XVFOXJIPHMHSHI-CQSZACIVSA-N 0 0 301.361 3.699 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000015393492 563409643 /nfs/dbraw/zinc/40/96/43/563409643.db2.gz DGXWRHLSBUCMSJ-CQSZACIVSA-N 0 0 301.361 3.526 40 0 DHABRN Cc1cc2sc(NC(=O)c3cncnc3C)nc2cc1Cl ZINC000019125832 563415593 /nfs/dbraw/zinc/41/55/93/563415593.db2.gz HQGUBQRMFAGTCW-UHFFFAOYSA-N 0 0 318.789 3.609 40 0 DHABRN Cc1ccccc1CNC(=O)CSCc1ccccc1F ZINC000025217232 563422162 /nfs/dbraw/zinc/42/21/62/563422162.db2.gz XQAWOHGLEUMPNU-UHFFFAOYSA-N 0 0 303.402 3.684 40 0 DHABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c(C)c1 ZINC000027377231 563427910 /nfs/dbraw/zinc/42/79/10/563427910.db2.gz PFHWNDSEQDXKSQ-UHFFFAOYSA-N 0 0 324.424 3.942 40 0 DHABRN O=C(Cc1ccccc1)NCCOc1ccc2ccccc2c1 ZINC000030447203 563436904 /nfs/dbraw/zinc/43/69/04/563436904.db2.gz QHHUVEDNPSZGQE-UHFFFAOYSA-N 0 0 305.377 3.578 40 0 DHABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cccnc1 ZINC000030756151 563438090 /nfs/dbraw/zinc/43/80/90/563438090.db2.gz HOOGOZRWCQLSFG-GOSISDBHSA-N 0 0 320.392 3.709 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000030751432 563438350 /nfs/dbraw/zinc/43/83/50/563438350.db2.gz GNNDYRQFKWXLCN-YJBOKZPZSA-N 0 0 309.409 3.956 40 0 DHABRN O=C1NC(=S)NC1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000038194954 563459975 /nfs/dbraw/zinc/45/99/75/563459975.db2.gz NFULIMFRJDXJGZ-GDNBJRDFSA-N 0 0 319.389 3.591 40 0 DHABRN CCCCCNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000041184896 563461328 /nfs/dbraw/zinc/46/13/28/563461328.db2.gz CLEXXEUOIDEMRB-UHFFFAOYSA-N 0 0 321.808 3.629 40 0 DHABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C ZINC000044841616 563462188 /nfs/dbraw/zinc/46/21/88/563462188.db2.gz NLQWHZQTLBEBOB-LLVKDONJSA-N 0 0 315.866 3.755 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1Cl ZINC000044881029 563463106 /nfs/dbraw/zinc/46/31/06/563463106.db2.gz DMBLVMVKMRVJGF-MRXNPFEDSA-N 0 0 321.779 3.953 40 0 DHABRN O=C(CCSc1ccccc1)NCCSC1CCCC1 ZINC000046450423 563465698 /nfs/dbraw/zinc/46/56/98/563465698.db2.gz ZJDJJOFJZDVSHC-UHFFFAOYSA-N 0 0 309.500 3.961 40 0 DHABRN O=C(c1ccc(F)cc1)N1CCc2cc(Br)ccc21 ZINC000049355703 563467398 /nfs/dbraw/zinc/46/73/98/563467398.db2.gz IDQRKDUXLZTIPH-UHFFFAOYSA-N 0 0 320.161 3.791 40 0 DHABRN O=C(Cc1ccc(F)cc1)NCCOc1cccc2ccccc21 ZINC000055775580 563477147 /nfs/dbraw/zinc/47/71/47/563477147.db2.gz MNIFTSICAACDFQ-UHFFFAOYSA-N 0 0 323.367 3.717 40 0 DHABRN Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccccc1F ZINC000055694050 563477226 /nfs/dbraw/zinc/47/72/26/563477226.db2.gz GMNOGZNLLMNPFZ-HNNXBMFYSA-N 0 0 315.388 3.650 40 0 DHABRN OC1(CCc2ccccc2)CCC(O)(Cc2ccccc2)CC1 ZINC000096509982 563485833 /nfs/dbraw/zinc/48/58/33/563485833.db2.gz UBVSBMXWOSZDOP-UHFFFAOYSA-N 0 0 310.437 3.898 40 0 DHABRN O=C(Cc1cccc(Br)c1)Nc1ccc(F)cc1 ZINC000072064053 563502209 /nfs/dbraw/zinc/50/22/09/563502209.db2.gz FZOBVLYZJFNMCG-UHFFFAOYSA-N 0 0 308.150 3.769 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](CSCc2ccncc2)C1 ZINC000085333627 563520443 /nfs/dbraw/zinc/52/04/43/563520443.db2.gz VGYIFFGPSPATGI-CQSZACIVSA-N 0 0 308.447 3.572 40 0 DHABRN CCC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000000103530 563520617 /nfs/dbraw/zinc/52/06/17/563520617.db2.gz MWAQTRQENQPVOM-UHFFFAOYSA-N 0 0 302.186 3.860 40 0 DHABRN COC(=O)CN1CCc2ccsc2[C@H]1c1ccccc1Cl ZINC000095921531 563530824 /nfs/dbraw/zinc/53/08/24/563530824.db2.gz KLDKOFAUCQHGNF-OAHLLOKOSA-N 0 0 321.829 3.522 40 0 DHABRN C[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 ZINC000096241569 563536377 /nfs/dbraw/zinc/53/63/77/563536377.db2.gz DXTXYANOAPJQDB-HNNXBMFYSA-N 0 0 306.409 3.763 40 0 DHABRN Cc1ccc(-n2cnc3c2ncnc3Nc2ccccc2)cc1 ZINC000096320644 563536394 /nfs/dbraw/zinc/53/63/94/563536394.db2.gz MNUKSHRPMIODHU-UHFFFAOYSA-N 0 0 301.353 3.868 40 0 DHABRN CC(C)(O)c1ccccc1-n1cccc1C(=O)c1ccccc1 ZINC000098174887 563543787 /nfs/dbraw/zinc/54/37/87/563543787.db2.gz RUZHINQIARRNCQ-UHFFFAOYSA-N 0 0 305.377 3.936 40 0 DHABRN COC(=O)CCc1c(OC)ccc2cc(Br)ccc21 ZINC000085385414 563569298 /nfs/dbraw/zinc/56/92/98/563569298.db2.gz KQTKBYDGCSUVMA-UHFFFAOYSA-N 0 0 323.186 3.717 40 0 DHABRN CCc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1OC ZINC000113970878 563586813 /nfs/dbraw/zinc/58/68/13/563586813.db2.gz NHPIIGMQRZJWAA-UHFFFAOYSA-N 0 0 319.426 3.675 40 0 DHABRN CCN(CC)C(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000006139150 563591197 /nfs/dbraw/zinc/59/11/97/563591197.db2.gz GBVZQCJYBGZNMK-UHFFFAOYSA-N 0 0 313.397 3.756 40 0 DHABRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000118311821 563592230 /nfs/dbraw/zinc/59/22/30/563592230.db2.gz ATYDSIJHMSGNKM-NWDGAFQWSA-N 0 0 312.207 3.830 40 0 DHABRN CC(C)/N=C1\S/C(=C/c2cccc(F)c2)C(=O)N1C(C)C ZINC000006325008 563592571 /nfs/dbraw/zinc/59/25/71/563592571.db2.gz XKZMOTNNPFHZPD-WZMAMLOKSA-N 0 0 306.406 3.915 40 0 DHABRN CC(=O)c1cn([C@@H](C)C(=O)NC2CCCCC2)c2ccccc12 ZINC000006955837 563596528 /nfs/dbraw/zinc/59/65/28/563596528.db2.gz QNKYUHGTWXTVGQ-ZDUSSCGKSA-N 0 0 312.413 3.854 40 0 DHABRN CC(C)OCCCNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000123868609 563599526 /nfs/dbraw/zinc/59/95/26/563599526.db2.gz GEPXRQOLAASEIB-UHFFFAOYSA-N 0 0 318.244 3.857 40 0 DHABRN CCOc1ccc(CNC(=O)c2cccc(C)c2)cc1OCC ZINC000008050937 563602991 /nfs/dbraw/zinc/60/29/91/563602991.db2.gz OHUFYVBWERDBLA-UHFFFAOYSA-N 0 0 313.397 3.722 40 0 DHABRN Cc1cc(C(=O)Nc2ccc(C)cc2Br)c(C)n1C ZINC000008051845 563603613 /nfs/dbraw/zinc/60/36/13/563603613.db2.gz YBDVQAYFYMXTRZ-UHFFFAOYSA-N 0 0 321.218 3.965 40 0 DHABRN CC(C)c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C ZINC000000416682 563608244 /nfs/dbraw/zinc/60/82/44/563608244.db2.gz MZXZXQIKPXLFMC-UHFFFAOYSA-N 0 0 309.822 3.567 40 0 DHABRN CCOC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c21 ZINC000000414469 563608888 /nfs/dbraw/zinc/60/88/88/563608888.db2.gz YALCKWZZCQCGDS-UHFFFAOYSA-N 0 0 322.455 3.841 40 0 DHABRN CCN(CC)C(=O)c1sc2nc3c(C)cccc3cc2c1N ZINC000000419933 563611528 /nfs/dbraw/zinc/61/15/28/563611528.db2.gz BXBGWQVXJLAAAS-UHFFFAOYSA-N 0 0 313.426 3.822 40 0 DHABRN COC(=O)[C@H](CCCCCCC(C)C)NC(=O)c1ccccc1 ZINC000003032835 563614977 /nfs/dbraw/zinc/61/49/77/563614977.db2.gz IRVSABRWYHCZEB-KRWDZBQOSA-N 0 0 319.445 3.955 40 0 biogenic,in-vitro DHABRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)o1 ZINC000000870178 563616810 /nfs/dbraw/zinc/61/68/10/563616810.db2.gz WJSYEJCHQYSPSN-UHFFFAOYSA-N 0 0 324.336 3.994 40 0 DHABRN COc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1 ZINC000000510440 563618567 /nfs/dbraw/zinc/61/85/67/563618567.db2.gz BXSZIWJADRAOEC-UHFFFAOYSA-N 0 0 309.369 3.926 40 0 DHABRN CC[C@H](CO)Nc1nnc(-c2ccc(C)cc2)c2ccccc21 ZINC000001093167 563618759 /nfs/dbraw/zinc/61/87/59/563618759.db2.gz ZCEQWRUQGXLKGR-OAHLLOKOSA-N 0 0 307.397 3.788 40 0 DHABRN Cc1ccc(OCCCC(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000001773391 563620844 /nfs/dbraw/zinc/62/08/44/563620844.db2.gz UKUNGFJALMRXSQ-UHFFFAOYSA-N 0 0 319.430 3.768 40 0 DHABRN CCCCN(C(=O)C1CCC1)c1nnc(-c2ccncc2)s1 ZINC000002586502 563621600 /nfs/dbraw/zinc/62/16/00/563621600.db2.gz NLUJEVOSZSYDNN-UHFFFAOYSA-N 0 0 316.430 3.533 40 0 DHABRN COP(=O)(OC)[C@@H](O)/C=C(\Cl)c1ccc(Cl)cc1 ZINC000003120659 563624682 /nfs/dbraw/zinc/62/46/82/563624682.db2.gz CNONALSSANSMRX-ZJRUKIMVSA-N 0 0 311.101 3.724 40 0 DHABRN COC(OC)(c1ccc2c(c1)[nH]c1ccc(Cl)cc12)[C@@H](C)O ZINC000034496314 563625805 /nfs/dbraw/zinc/62/58/05/563625805.db2.gz QTDQYWLFPXKKNK-SNVBAGLBSA-N 0 0 319.788 3.801 40 0 in-vitro DHABRN CC1=NN(C(=S)c2ccc(C)cc2)[C@@](C)(O)[C@H]1CC(C)C ZINC000000133932 563628204 /nfs/dbraw/zinc/62/82/04/563628204.db2.gz MXJQIHAUIOISPO-RDJZCZTQSA-N 0 0 304.459 3.733 40 0 DHABRN FC(F)(F)c1c2c(nc3cc(-c4ccccc4)nn31)CCC2 ZINC000000253399 563629225 /nfs/dbraw/zinc/62/92/25/563629225.db2.gz OISKJOHESQFXRX-UHFFFAOYSA-N 0 0 303.287 3.904 40 0 DHABRN O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccco1 ZINC000000283061 563629472 /nfs/dbraw/zinc/62/94/72/563629472.db2.gz YPMAOQWIZYARNH-UHFFFAOYSA-N 0 0 324.311 3.923 40 0 DHABRN CCN(CC)c1ccc(NC(=S)NC(=O)C(C)(C)C)c(C)c1 ZINC000000568410 563631278 /nfs/dbraw/zinc/63/12/78/563631278.db2.gz JHCHCMHDVGLWBB-UHFFFAOYSA-N 0 0 321.490 3.700 40 0 DHABRN Cc1cc(Cl)ccc1NC(=O)CN1Cc2ccccc2C1 ZINC000175208628 563633967 /nfs/dbraw/zinc/63/39/67/563633967.db2.gz XGSYGCVZEVDNMY-UHFFFAOYSA-N 0 0 300.789 3.603 40 0 DHABRN O=C1c2ccccc2C(=O)N1CNc1cc(Cl)ccc1Cl ZINC000003196200 563635920 /nfs/dbraw/zinc/63/59/20/563635920.db2.gz MHSMCKRNWXIIRY-UHFFFAOYSA-N 0 0 321.163 3.659 40 0 DHABRN Cc1c(Cl)cccc1N1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000104807896 563636912 /nfs/dbraw/zinc/63/69/12/563636912.db2.gz GXHXVDZFPOWLBO-BETUJISGSA-N 0 0 303.789 3.884 40 0 DHABRN COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1F ZINC000007360994 563640317 /nfs/dbraw/zinc/64/03/17/563640317.db2.gz MDPUCLFBKXNOJC-UHFFFAOYSA-N 0 0 323.389 3.560 40 0 DHABRN COC(=O)c1ccc(Cl)c(NC(=O)Nc2ccccc2)c1 ZINC000008092230 563641592 /nfs/dbraw/zinc/64/15/92/563641592.db2.gz NLGXHZNXSGZAOG-UHFFFAOYSA-N 0 0 304.733 3.771 40 0 DHABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)cc1F ZINC000008050853 563641694 /nfs/dbraw/zinc/64/16/94/563641694.db2.gz NGUWABAEJIFKMM-CQSZACIVSA-N 0 0 321.323 3.770 40 0 DHABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)cc1F ZINC000008050845 563641768 /nfs/dbraw/zinc/64/17/68/563641768.db2.gz NGUWABAEJIFKMM-AWEZNQCLSA-N 0 0 321.323 3.770 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(F)c1 ZINC000008049124 563641773 /nfs/dbraw/zinc/64/17/73/563641773.db2.gz LYBPSBUQYHHAMI-CQSZACIVSA-N 0 0 309.287 3.900 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C ZINC000008049764 563641789 /nfs/dbraw/zinc/64/17/89/563641789.db2.gz FURLHQOJIOZSCK-LBPRGKRZSA-N 0 0 305.324 3.988 40 0 DHABRN Cc1cc2sc(NC(=S)NC(=O)CC(C)C)nc2c(C)c1 ZINC000009140755 563644511 /nfs/dbraw/zinc/64/45/11/563644511.db2.gz QDSJENBSPQKOCD-UHFFFAOYSA-N 0 0 321.471 3.772 40 0 DHABRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000010042618 563646492 /nfs/dbraw/zinc/64/64/92/563646492.db2.gz UHDLWUQOUMDDEO-JTQLQIEISA-N 0 0 312.797 3.500 40 0 DHABRN Cc1cc(C)nc(Nc2ccc(C(=O)NC3CCCCC3)cc2)n1 ZINC000170569265 563648457 /nfs/dbraw/zinc/64/84/57/563648457.db2.gz NQEOPTNCOPQBRW-UHFFFAOYSA-N 0 0 324.428 3.900 40 0 DHABRN O=c1[nH]c2c(s1)[C@H]1c3ccccc3O[C@@H]3CCC[C@@H](S2)[C@@H]31 ZINC000170612857 563648471 /nfs/dbraw/zinc/64/84/71/563648471.db2.gz RPODNVZRIFIAQZ-FVCCEPFGSA-N 0 0 317.435 3.604 40 0 DHABRN COc1ccc2cc(C(=O)Nc3ccc(F)cc3)c(C)nc2c1 ZINC000011595519 563650060 /nfs/dbraw/zinc/65/00/60/563650060.db2.gz YZCOMZDQQFZMFS-UHFFFAOYSA-N 0 0 310.328 3.943 40 0 DHABRN COc1ccc2cc(CNc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000012493344 563652863 /nfs/dbraw/zinc/65/28/63/563652863.db2.gz SXHDHHCFRNOLPW-UHFFFAOYSA-N 0 0 314.772 3.802 40 0 DHABRN CCOc1ccc2[nH]c(=O)c(CNc3cccc(OC)c3)cc2c1 ZINC000012566073 563653051 /nfs/dbraw/zinc/65/30/51/563653051.db2.gz QMAVYYNRPHBKON-UHFFFAOYSA-N 0 0 324.380 3.548 40 0 DHABRN CCOc1ccc2cc(CNc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000013561315 563660439 /nfs/dbraw/zinc/66/04/39/563660439.db2.gz HYIQQXVOPJQNEJ-UHFFFAOYSA-N 0 0 312.344 3.678 40 0 DHABRN COc1ccc2cc(CNc3ccc4c(c3)CCC4)c(=O)[nH]c2c1 ZINC000013561409 563660562 /nfs/dbraw/zinc/66/05/62/563660562.db2.gz LUSCWJFNZWXENJ-UHFFFAOYSA-N 0 0 320.392 3.638 40 0 DHABRN COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C ZINC000011287776 563664186 /nfs/dbraw/zinc/66/41/86/563664186.db2.gz UWUDHEASYTYRMW-HNICHSMRSA-N 0 0 312.413 3.606 40 0 DHABRN CC(C)OCCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014399765 563668242 /nfs/dbraw/zinc/66/82/42/563668242.db2.gz VKQHXTACPNSCCM-OAHLLOKOSA-N 0 0 321.461 3.683 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC1CCCCCC1 ZINC000014400295 563671475 /nfs/dbraw/zinc/67/14/75/563671475.db2.gz FYWYFLGGIZIDHH-QGZVFWFLSA-N 0 0 305.418 3.692 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2Cl)cc1 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/nfs/dbraw/zinc/92/23/95/563922395.db2.gz PRWGSIJCZBVILL-CMDGGOBGSA-N 0 0 313.407 3.919 40 0 DHABRN C[C@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)ccc2O1 ZINC000009029089 563922523 /nfs/dbraw/zinc/92/25/23/563922523.db2.gz JZEILLBUEHNYLE-XBUHWIKASA-N 0 0 322.339 3.695 40 0 DHABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C ZINC000032585507 563923012 /nfs/dbraw/zinc/92/30/12/563923012.db2.gz RPPALVROMFFNHF-UHFFFAOYSA-N 0 0 319.426 3.811 40 0 DHABRN COC(=O)c1cc(NC(=S)Nc2ccccc2)ccc1Cl ZINC000020244209 563923015 /nfs/dbraw/zinc/92/30/15/563923015.db2.gz ARNNGCYJMPKMHJ-UHFFFAOYSA-N 0 0 320.801 3.936 40 0 DHABRN FCc1cc2c(I)cccc2nc1Cl ZINC000685937137 563926989 /nfs/dbraw/zinc/92/69/89/563926989.db2.gz JSZYOBYUVXFCIG-UHFFFAOYSA-N 0 0 321.520 3.962 40 0 DHABRN Oc1ccc(CCCC[C@H](O)CCc2ccc(O)cc2)cc1 ZINC000013384943 563929533 /nfs/dbraw/zinc/92/95/33/563929533.db2.gz UYJAYWZGEZOHRU-KRWDZBQOSA-N 0 0 300.398 3.804 40 0 biogenic,in-vitro DHABRN Fc1ccc(C(F)(F)F)c(F)c1I ZINC000604221676 563943643 /nfs/dbraw/zinc/94/36/43/563943643.db2.gz RZOPDVRITVTETB-UHFFFAOYSA-N 0 0 307.987 3.588 40 0 DHABRN c1[nH]c([C@@H]2COCCN2C2CCCCC2)nc1-c1ccccc1 ZINC000067898607 563950661 /nfs/dbraw/zinc/95/06/61/563950661.db2.gz RTWVSILELUTQQY-SFHVURJKSA-N 0 0 311.429 3.783 40 0 biogenic,in-vitro DHABRN CC(=O)Oc1ccccc1-c1csc(Nc2ccccc2)n1 ZINC000409378167 563959629 /nfs/dbraw/zinc/95/96/29/563959629.db2.gz MZQGASBWPKGENZ-UHFFFAOYSA-N 0 0 310.378 4.479 40 0 DHABRN Cc1ccccc1CNc1cc(Cl)nc(-c2cccnc2)n1 ZINC000328989743 563960164 /nfs/dbraw/zinc/96/01/64/563960164.db2.gz IMGKMPDSQUTYTM-UHFFFAOYSA-N 0 0 310.788 4.113 40 0 DHABRN Cc1ccc(Nc2cc(Cl)nc(-c3cccnc3)n2)c(C)c1 ZINC000328984880 563960168 /nfs/dbraw/zinc/96/01/68/563960168.db2.gz HPVYVTGTWWNJIN-UHFFFAOYSA-N 0 0 310.788 4.552 40 0 DHABRN COc1ccccc1/C=C(/c1nnc(N)s1)c1ccccc1 ZINC000408718110 563960529 /nfs/dbraw/zinc/96/05/29/563960529.db2.gz JZNTVZVFQLYDCD-SDNWHVSQSA-N 0 0 309.394 3.718 40 0 DHABRN O=C(NCc1ccc(F)c(Cl)c1)c1ccc2ncccc2c1 ZINC000071121550 1014103700 /nfs/dbraw/zinc/10/37/00/1014103700.db2.gz CIUKLPAALBRXEJ-UHFFFAOYSA-N 0 0 314.747 3.957 40 0 DHABRN Cc1cccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000195783767 1019315623 /nfs/dbraw/zinc/31/56/23/1019315623.db2.gz LLEWQOIOFBJPFD-OQLLNIDSSA-N 0 0 312.756 3.746 40 0 DHABRN O=C(OCc1ccccc1)N1CCC[C@H]1c1cc(Cl)cnn1 ZINC000256053900 1019707423 /nfs/dbraw/zinc/70/74/23/1019707423.db2.gz UCAYRGPYAUWYNM-HNNXBMFYSA-N 0 0 317.776 3.604 40 0 DHABRN COC(=O)c1cc(C)c(OC(=O)c2cccc(Cl)c2)c(C)c1 ZINC000256053187 1019707907 /nfs/dbraw/zinc/70/79/07/1019707907.db2.gz QKMCDBWCGSYZCU-UHFFFAOYSA-N 0 0 318.756 3.963 40 0 DHABRN CC(C)COC(=O)[C@H]1CN(c2ccccc2)N=C1c1ccccc1 ZINC000103769100 1021215610 /nfs/dbraw/zinc/21/56/10/1021215610.db2.gz XKGLSHKHEOCENT-SFHVURJKSA-N 0 0 322.408 3.726 40 0 DHABRN Clc1ccccc1CN(Cc1ccccn1)C[C@H]1CCOC1 ZINC000013990816 1022011843 /nfs/dbraw/zinc/01/18/43/1022011843.db2.gz JHLCPDHFKUHYPQ-OAHLLOKOSA-N 0 0 316.832 3.774 40 0 DHABRN COc1cccc(NC(=S)Nc2ccc(OC)c(F)c2)c1 ZINC000071325878 1022149794 /nfs/dbraw/zinc/14/97/94/1022149794.db2.gz BRQYMXMJFLUERI-UHFFFAOYSA-N 0 0 306.362 3.652 40 0 DHABRN COc1ccc2cc(C(=O)Nc3ccccc3F)c(C)nc2c1 ZINC000027029549 1022331640 /nfs/dbraw/zinc/33/16/40/1022331640.db2.gz LSDZZTGWWFMSGQ-UHFFFAOYSA-N 0 0 310.328 3.943 40 0 DHABRN COc1ccccc1NC(=O)CSCc1ccc(C)cc1 ZINC000016030656 1022373852 /nfs/dbraw/zinc/37/38/52/1022373852.db2.gz XPEPYVMLJCUBQT-UHFFFAOYSA-N 0 0 301.411 3.876 40 0 DHABRN CC(C)c1cccc(NC(=S)Nc2ccc(C(N)=O)cc2)c1 ZINC000071760700 1022489619 /nfs/dbraw/zinc/48/96/19/1022489619.db2.gz LTSUYXJRVIWUQE-UHFFFAOYSA-N 0 0 313.426 3.718 40 0 DHABRN CC(C)c1ccccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 ZINC000042646488 1022492884 /nfs/dbraw/zinc/49/28/84/1022492884.db2.gz BDHANEQUMXECBC-HNNXBMFYSA-N 0 0 324.424 3.668 40 0 DHABRN CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC000223280445 1024591479 /nfs/dbraw/zinc/59/14/79/1024591479.db2.gz OTORXPWUXPPRKN-OAHLLOKOSA-N 0 0 317.454 3.738 40 0 DHABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCC1 ZINC000223272456 1024591701 /nfs/dbraw/zinc/59/17/01/1024591701.db2.gz CCHZQRUHIKTJPE-CQSZACIVSA-N 0 0 301.430 3.782 40 0 DHABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCC1 ZINC000223272511 1024592380 /nfs/dbraw/zinc/59/23/80/1024592380.db2.gz CCHZQRUHIKTJPE-AWEZNQCLSA-N 0 0 301.430 3.782 40 0 DHABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSC1CCCC1 ZINC000223298755 1024592630 /nfs/dbraw/zinc/59/26/30/1024592630.db2.gz SNXAXAJGQGJLJG-QGZVFWFLSA-N 0 0 321.486 3.944 40 0 DHABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSC1CCCC1 ZINC000223298812 1024592840 /nfs/dbraw/zinc/59/28/40/1024592840.db2.gz SNXAXAJGQGJLJG-KRWDZBQOSA-N 0 0 321.486 3.944 40 0 DHABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C)cc1 ZINC000224686972 1024648203 /nfs/dbraw/zinc/64/82/03/1024648203.db2.gz CUBHEZAVHNRBDZ-UHFFFAOYSA-N 0 0 309.818 3.782 40 0 DHABRN CCOc1ccccc1CNC(=O)Cc1ccc(Cl)cc1F ZINC000223298310 1024677960 /nfs/dbraw/zinc/67/79/60/1024677960.db2.gz XKMMTVLVFARFNL-UHFFFAOYSA-N 0 0 321.779 3.737 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H]2Nc3ccc(Cl)cc3[C@@H]2C1 ZINC000095635394 185382888 /nfs/dbraw/zinc/38/28/88/185382888.db2.gz NUSSODRBWFEQDM-GXTWGEPZSA-N 0 0 308.809 3.859 40 0 DHABRN CCOC(=O)CCCCOc1ccc(Br)cc1F ZINC000095733971 185383591 /nfs/dbraw/zinc/38/35/91/185383591.db2.gz REQODQMCQAISAB-UHFFFAOYSA-N 0 0 319.170 3.700 40 0 DHABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccccc2)cc1 ZINC000000568319 190615562 /nfs/dbraw/zinc/61/55/62/190615562.db2.gz QVUKNWVZSCSOFS-UHFFFAOYSA-N 0 0 319.408 3.880 40 0 DHABRN COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000137506 190612096 /nfs/dbraw/zinc/61/20/96/190612096.db2.gz OVFMMJNKICPJJH-UHFFFAOYSA-N 0 0 304.777 3.713 40 0 in-vitro DHABRN CC(C)(C)OC(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000168545971 197725032 /nfs/dbraw/zinc/72/50/32/197725032.db2.gz LFSNVJDYBBIPHH-LBPRGKRZSA-N 0 0 312.207 3.961 40 0 DHABRN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(OC)cc1 ZINC000025512984 190651519 /nfs/dbraw/zinc/65/15/19/190651519.db2.gz PSHJEFRXESXOHT-KSSFIOAISA-N 0 0 313.397 3.730 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NC(C(C)C)C(C)C ZINC000044847013 190673996 /nfs/dbraw/zinc/67/39/96/190673996.db2.gz SLIGNICACRVKKW-INIZCTEOSA-N 0 0 307.434 3.649 40 0 DHABRN CC(=O)Nc1cccc(NC(=O)c2conc2-c2ccccc2)c1 ZINC000225872398 201757535 /nfs/dbraw/zinc/75/75/35/201757535.db2.gz SNRKTTKFZDZRCD-UHFFFAOYSA-N 0 0 321.336 3.552 40 0 DHABRN CCCCOc1ncc(NC(=O)C2(OCC)CCCC2)cc1C ZINC000225898654 201760773 /nfs/dbraw/zinc/76/07/73/201760773.db2.gz VUINUDIPOLXXQI-UHFFFAOYSA-N 0 0 320.433 3.857 40 0 DHABRN CCCOC(C)(C)C(=O)Nc1ccc(OCC)c2ncccc12 ZINC000225903292 201761057 /nfs/dbraw/zinc/76/10/57/201761057.db2.gz AIGZUBZEEWVMQN-UHFFFAOYSA-N 0 0 316.401 3.777 40 0 DHABRN CC(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C(C)C)C2(C)C)no1 ZINC000067890298 190731752 /nfs/dbraw/zinc/73/17/52/190731752.db2.gz BITHTBWVFNTPBG-CJNGLKHVSA-N 0 0 306.450 3.603 40 0 biogenic,in-vitro DHABRN Brc1cccc2c(I)c[nH]c21 ZINC000080441396 192157900 /nfs/dbraw/zinc/15/79/00/192157900.db2.gz ZMUHZDSLSUUPGS-UHFFFAOYSA-N 0 0 321.943 3.535 40 0 DHABRN CSc1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1 ZINC000225592997 186281197 /nfs/dbraw/zinc/28/11/97/186281197.db2.gz KSCOLZYGDBLPGR-UHFFFAOYSA-N 0 0 311.403 3.657 40 0 DHABRN S=C(NCCCOC1CCCC1)Nc1ccc(Cl)cc1 ZINC000225619052 186283622 /nfs/dbraw/zinc/28/36/22/186283622.db2.gz URHTUFZDAJHVBF-UHFFFAOYSA-N 0 0 312.866 3.976 40 0 DHABRN COc1cccc(C(=O)Nc2nnc(SCC(C)C)s2)c1 ZINC000225634275 186285422 /nfs/dbraw/zinc/28/54/22/186285422.db2.gz WWLIBMOVSGBKQB-UHFFFAOYSA-N 0 0 323.443 3.547 40 0 DHABRN Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(F)cc1 ZINC000225635057 186285514 /nfs/dbraw/zinc/28/55/14/186285514.db2.gz JTZZXCDDLUBYJD-ZDUSSCGKSA-N 0 0 318.417 3.888 40 0 DHABRN CC[C@@H](CNC(=S)Nc1cccc(C)n1)Cc1ccccc1 ZINC000225633844 186285521 /nfs/dbraw/zinc/28/55/21/186285521.db2.gz BXVQXPZPSTYTHN-OAHLLOKOSA-N 0 0 313.470 3.945 40 0 DHABRN CC(=O)N1CCC[C@@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072357566 191130288 /nfs/dbraw/zinc/13/02/88/191130288.db2.gz DAQBOHPHUWRBKI-GOSISDBHSA-N 0 0 308.425 3.707 40 0 DHABRN CC(=O)N1CCC(c2cccc(Cc3ccccc3C)n2)CC1 ZINC000072357565 191129939 /nfs/dbraw/zinc/12/99/39/191129939.db2.gz IZZDRLYMDMYMFK-UHFFFAOYSA-N 0 0 308.425 3.707 40 0 DHABRN COc1ccccc1-c1cc(CC[C@H]2CCCN2C(C)=O)ccn1 ZINC000072365800 191135674 /nfs/dbraw/zinc/13/56/74/191135674.db2.gz ACWSIEPQNZGEPH-QGZVFWFLSA-N 0 0 324.424 3.701 40 0 DHABRN CC(C)C(=O)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 ZINC000072384720 191144287 /nfs/dbraw/zinc/14/42/87/191144287.db2.gz KKJWXQNJCXJRQF-ZDUSSCGKSA-N 0 0 316.430 3.601 40 0 DHABRN c1csc(-c2nc(NC3CC3)ncc2-c2ccsc2)n1 ZINC000072396676 191149016 /nfs/dbraw/zinc/14/90/16/191149016.db2.gz SNLHCJNOOHUNKB-UHFFFAOYSA-N 0 0 300.412 3.903 40 0 DHABRN Cc1ccc(NC(=O)[C@@]23CC[C@@](C)([C@@H](O)C2)C3(C)C)cc1C ZINC000000347183 180763000 /nfs/dbraw/zinc/76/30/00/180763000.db2.gz NBKTZKPRHJRMLH-ZYSHUDEJSA-N 0 0 301.430 3.819 40 0 DHABRN COC(=O)c1ccc(-c2nc3cc(Cl)c(N)cc3s2)cc1 ZINC000000328285 180760035 /nfs/dbraw/zinc/76/00/35/180760035.db2.gz JKSOIBPHRQWUFF-UHFFFAOYSA-N 0 0 318.785 3.986 40 0 DHABRN COC(=O)c1ccc(-c2nc3cc(N)cc(Cl)c3o2)cc1 ZINC000000825602 180835484 /nfs/dbraw/zinc/83/54/84/180835484.db2.gz NJJXYMVJOSSQDU-UHFFFAOYSA-N 0 0 302.717 3.517 40 0 DHABRN CC[NH+](CC)CCC(C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000001675360 180886998 /nfs/dbraw/zinc/88/69/98/180886998.db2.gz ICDQPJSXTLJZIC-UHFFFAOYSA-N 0 0 311.425 3.789 40 0 DHABRN Brc1cc2c(cc1C1SCCS1)OCO2 ZINC000001630476 180881510 /nfs/dbraw/zinc/88/15/10/180881510.db2.gz SRCWKQMODRURGL-UHFFFAOYSA-N 0 0 305.218 3.656 40 0 DHABRN CC(=O)[C@]1(C)SC(N(c2ccccc2)c2ccccc2)=NC1=O ZINC000001720030 180891669 /nfs/dbraw/zinc/89/16/69/180891669.db2.gz HABUFTVZGXMKSZ-SFHVURJKSA-N 0 0 324.405 3.802 40 0 DHABRN COc1ccc(OC)c(NC(=O)NCc2ccccc2Cl)c1 ZINC000001755625 180894734 /nfs/dbraw/zinc/89/47/34/180894734.db2.gz ZVMSBPVJPXZGDG-UHFFFAOYSA-N 0 0 320.776 3.679 40 0 DHABRN CCCC[S@](=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1 ZINC000002176753 180914013 /nfs/dbraw/zinc/91/40/13/180914013.db2.gz MJWQPVCTXDHHDO-GCKMJXCFSA-N 0 0 308.443 3.703 40 0 DHABRN COC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000003559144 181034748 /nfs/dbraw/zinc/03/47/48/181034748.db2.gz VXLNXHOHFAWXPV-UHFFFAOYSA-N 0 0 313.353 3.513 40 0 DHABRN O=C(COc1ccccc1Cl)NCCc1ccc(Cl)cc1 ZINC000003602868 181038791 /nfs/dbraw/zinc/03/87/91/181038791.db2.gz PFRGOSFODIGBGO-UHFFFAOYSA-N 0 0 324.207 3.731 40 0 DHABRN COc1ccc(CNC(=O)CSCc2ccccc2C)cc1 ZINC000003601233 181038821 /nfs/dbraw/zinc/03/88/21/181038821.db2.gz VHAYKXOJWMZGCB-UHFFFAOYSA-N 0 0 315.438 3.553 40 0 DHABRN COc1ccccc1/C=C/C(=O)N[C@H]1CCCc2ccccc21 ZINC000003608556 181039994 /nfs/dbraw/zinc/03/99/94/181039994.db2.gz DEDLYOPFEIOIRR-JKGDOXCYSA-N 0 0 307.393 3.902 40 0 DHABRN C[C@@H]1Cc2ccccc2N1C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C ZINC000003893544 181053563 /nfs/dbraw/zinc/05/35/63/181053563.db2.gz UCCZEJKEPKONPP-GBLZOACLSA-N 0 0 311.425 3.750 40 0 DHABRN C[C@@]1(O)CC[C@H]2[C@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003831249 181047754 /nfs/dbraw/zinc/04/77/54/181047754.db2.gz QSLJIVKCVHQPLV-FQRJZAEESA-N 0 0 306.446 3.543 40 0 DHABRN CC(=O)Nc1ccc2c(c1)[nH]c(-c1ccccc1)c2OC(C)=O ZINC000003844603 181048715 /nfs/dbraw/zinc/04/87/15/181048715.db2.gz KAOWVSVWFWVTER-UHFFFAOYSA-N 0 0 308.337 3.719 40 0 DHABRN CC(C)(C)OC(=O)NCCCCCCNC(=O)OC(C)(C)C ZINC000003958314 181059521 /nfs/dbraw/zinc/05/95/21/181059521.db2.gz VDSMPNIBLRKWEG-UHFFFAOYSA-N 0 0 316.442 3.596 40 0 in-vitro DHABRN COc1cc(C(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O ZINC000004073859 181069956 /nfs/dbraw/zinc/06/99/56/181069956.db2.gz KTOAGBIQQPGNIR-DWQUBVKVSA-N 0 0 304.386 3.772 40 0 DHABRN Cc1cc(C)cc(-n2nc3c(c2NC(=O)C(C)C)CSC3)c1 ZINC000004176180 181081602 /nfs/dbraw/zinc/08/16/02/181081602.db2.gz XGPFBHZQLADDQQ-UHFFFAOYSA-N 0 0 315.442 3.830 40 0 DHABRN O=C(CSCc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004179414 181082693 /nfs/dbraw/zinc/08/26/93/181082693.db2.gz FVARRZHXSIQVPL-GZBFAFLISA-N 0 0 309.862 3.878 40 0 DHABRN C[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 ZINC000004353238 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/nfs/dbraw/zinc/13/23/07/182132307.db2.gz KTBHGXUFWBPMER-UHFFFAOYSA-N 0 0 322.368 3.513 40 0 DHABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1C ZINC000020025580 182180562 /nfs/dbraw/zinc/18/05/62/182180562.db2.gz QTOIKXOBTTWURZ-AWEZNQCLSA-N 0 0 313.397 3.893 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)CSc2ccc(C)cc2)cc1 ZINC000020044692 182183146 /nfs/dbraw/zinc/18/31/46/182183146.db2.gz BXAOOSRZMJAWPU-CQSZACIVSA-N 0 0 315.438 3.973 40 0 DHABRN COc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C)cc1 ZINC000020046922 182183722 /nfs/dbraw/zinc/18/37/22/182183722.db2.gz AYZYVTJCGITINH-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020105550 182186470 /nfs/dbraw/zinc/18/64/70/182186470.db2.gz RMEAGZPSPVJWEV-UHFFFAOYSA-N 0 0 305.399 3.556 40 0 DHABRN COc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 ZINC000020141649 182191452 /nfs/dbraw/zinc/19/14/52/182191452.db2.gz BABVSPINMYAECV-UHFFFAOYSA-N 0 0 323.348 3.700 40 0 DHABRN NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000020154587 182192851 /nfs/dbraw/zinc/19/28/51/182192851.db2.gz NZRJTGFDQMQRBO-UHFFFAOYSA-N 0 0 319.773 3.509 40 0 DHABRN COc1ccccc1-c1nc(Nc2ccc(Cl)cc2)n[nH]1 ZINC000020411709 182214671 /nfs/dbraw/zinc/21/46/71/182214671.db2.gz ZZYSBHXBFFDWBS-UHFFFAOYSA-N 0 0 300.749 3.877 40 0 DHABRN Nc1cc(Cl)ccc1NC(=O)c1ccc(Br)o1 ZINC000020344307 182209759 /nfs/dbraw/zinc/20/97/59/182209759.db2.gz FYVDAJAATAKHAM-UHFFFAOYSA-N 0 0 315.554 3.530 40 0 DHABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000020481826 182222286 /nfs/dbraw/zinc/22/22/86/182222286.db2.gz NNARCPAPQOINOK-ZDUSSCGKSA-N 0 0 321.467 3.756 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)NC2CCCCC2)cc1OC ZINC000020486840 182223617 /nfs/dbraw/zinc/22/36/17/182223617.db2.gz ZBIMRPWWEVYJIG-LBPRGKRZSA-N 0 0 323.458 3.633 40 0 DHABRN O=C(Nc1c(Cl)cccc1Cl)C(=S)N1CCCCC1 ZINC000020429046 182216336 /nfs/dbraw/zinc/21/63/36/182216336.db2.gz LFVVRLJYRVUSCU-UHFFFAOYSA-N 0 0 317.241 3.745 40 0 DHABRN O=C(Nc1ccc(F)cc1Cl)c1noc2c1CCCCC2 ZINC000020436024 182217387 /nfs/dbraw/zinc/21/73/87/182217387.db2.gz BQKQVWKYABMTAC-UHFFFAOYSA-N 0 0 308.740 3.988 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)NCc2cccc(C)c2)cc1 ZINC000020458608 182220140 /nfs/dbraw/zinc/22/01/40/182220140.db2.gz DZNVKUDGDFLENY-CQSZACIVSA-N 0 0 315.438 3.801 40 0 DHABRN COc1ccc(CN(C)C(=O)c2cccc(Cl)c2)cc1OC ZINC000021912812 182298356 /nfs/dbraw/zinc/29/83/56/182298356.db2.gz UQVCMTIKESQKFO-UHFFFAOYSA-N 0 0 319.788 3.629 40 0 DHABRN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1nc(-c2cccnc2)cs1 ZINC000022066311 182307860 /nfs/dbraw/zinc/30/78/60/182307860.db2.gz NILOXLYODCSATN-SCRDCRAPSA-N 0 0 313.426 3.970 40 0 DHABRN O=Cc1ccccc1OCc1nc(-c2ccccc2Cl)no1 ZINC000022120742 182309182 /nfs/dbraw/zinc/30/91/82/182309182.db2.gz ABEXDHXVQJBJRB-UHFFFAOYSA-N 0 0 314.728 3.782 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(F)cc1 ZINC000022532099 182325596 /nfs/dbraw/zinc/32/55/96/182325596.db2.gz CVXRUITZDTWXBV-HNNXBMFYSA-N 0 0 315.388 3.650 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000022520670 182325110 /nfs/dbraw/zinc/32/51/10/182325110.db2.gz UMJRLSXFBHESFQ-HNNXBMFYSA-N 0 0 309.287 3.900 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)cc1 ZINC000022523599 182325143 /nfs/dbraw/zinc/32/51/43/182325143.db2.gz HZNWJCTVULMTLV-MRXNPFEDSA-N 0 0 303.333 3.630 40 0 DHABRN CN(Cc1cccc2ccccc21)S(=O)(=O)c1cccs1 ZINC000023714901 182367416 /nfs/dbraw/zinc/36/74/16/182367416.db2.gz LLHISHGXJCCFHT-UHFFFAOYSA-N 0 0 317.435 3.722 40 0 DHABRN COc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000024615378 182385374 /nfs/dbraw/zinc/38/53/74/182385374.db2.gz ILDRIGPQBOMJMV-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CCC(=O)O2 ZINC000033860447 182724287 /nfs/dbraw/zinc/72/42/87/182724287.db2.gz SZKJPNYYJWKGMH-COXZCFCISA-N 0 0 306.446 3.686 40 0 DHABRN CCc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O ZINC000036635496 182832465 /nfs/dbraw/zinc/83/24/65/182832465.db2.gz UPVLGXQXLHKHLT-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN Fc1cc(Br)ccc1Nc1ccnc(Cl)n1 ZINC000038579798 183003197 /nfs/dbraw/zinc/00/31/97/183003197.db2.gz IBCGPNMRAUGSJB-UHFFFAOYSA-N 0 0 302.534 3.775 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)N(C)C2CCCC2)cc1OC ZINC000038754947 183008354 /nfs/dbraw/zinc/00/83/54/183008354.db2.gz AOWWKZXFVTZWRS-GFCCVEGCSA-N 0 0 323.458 3.585 40 0 DHABRN CC[C@H](Oc1ccccc1C)C(=O)N1CCc2ccccc2C1 ZINC000038771913 183009233 /nfs/dbraw/zinc/00/92/33/183009233.db2.gz UFGYNXAYHFHMOK-SFHVURJKSA-N 0 0 309.409 3.737 40 0 DHABRN COC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1F ZINC000038983733 183013569 /nfs/dbraw/zinc/01/35/69/183013569.db2.gz BZPAECUTSRAQAE-UHFFFAOYSA-N 0 0 323.538 3.758 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000039953931 183024020 /nfs/dbraw/zinc/02/40/20/183024020.db2.gz CUURPZRWNPWPKM-UHFFFAOYSA-N 0 0 313.344 3.743 40 0 DHABRN Cc1ccc2cccc(OC3CN(C(=O)OC(C)(C)C)C3)c2n1 ZINC000039954366 183024384 /nfs/dbraw/zinc/02/43/84/183024384.db2.gz IZCLDMJLZQUCIZ-UHFFFAOYSA-N 0 0 314.385 3.541 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](COc2ccccc2Cl)C1 ZINC000039954499 183024629 /nfs/dbraw/zinc/02/46/29/183024629.db2.gz RBWAEDYQOUUORC-GFCCVEGCSA-N 0 0 311.809 3.976 40 0 DHABRN CCOC(=O)c1c[nH]c2ccc(C(F)(F)F)cc2c1=S ZINC000040175537 183043937 /nfs/dbraw/zinc/04/39/37/183043937.db2.gz JLHBYJKVSLXGMG-UHFFFAOYSA-N 0 0 301.289 3.719 40 0 DHABRN COc1ccc(F)cc1[C@@H](O)c1ccccc1Br ZINC000040258378 183049477 /nfs/dbraw/zinc/04/94/77/183049477.db2.gz UPKVHUQRPRGNGR-AWEZNQCLSA-N 0 0 311.150 3.679 40 0 DHABRN CCc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1 ZINC000040294591 183051819 /nfs/dbraw/zinc/05/18/19/183051819.db2.gz DRJCVGCEYSYNCT-UHFFFAOYSA-N 0 0 319.202 3.846 40 0 DHABRN CN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000040296120 183052683 /nfs/dbraw/zinc/05/26/83/183052683.db2.gz DMNKPTOPTGPUSN-UHFFFAOYSA-N 0 0 324.211 3.894 40 0 DHABRN O=C(COc1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000041103607 183165885 /nfs/dbraw/zinc/16/58/85/183165885.db2.gz FAUOXKCRZCMCFU-UHFFFAOYSA-N 0 0 301.308 3.533 40 0 DHABRN NC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000041127155 183169293 /nfs/dbraw/zinc/16/92/93/183169293.db2.gz NKMWXLVJSYVJPU-UHFFFAOYSA-N 0 0 321.163 3.829 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2OC)cc1 ZINC000044902972 183452833 /nfs/dbraw/zinc/45/28/33/183452833.db2.gz PREILGGUQUFIKM-JWAFFJSPSA-N 0 0 311.381 3.594 40 0 DHABRN CC(C)OCCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000044860047 183443703 /nfs/dbraw/zinc/44/37/03/183443703.db2.gz UXMWAOCAIHPOFX-UHFFFAOYSA-N 0 0 318.244 3.857 40 0 DHABRN O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2nccs2)C1 ZINC000103949826 193967923 /nfs/dbraw/zinc/96/79/23/193967923.db2.gz KINLQQNSJIOMSJ-ZDUSSCGKSA-N 0 0 311.410 3.644 40 0 DHABRN CC(C)Oc1ccc(C(=O)NCCSC2CCCC2)cc1 ZINC000046450538 183561777 /nfs/dbraw/zinc/56/17/77/183561777.db2.gz QOGWJQRMGYUFKP-UHFFFAOYSA-N 0 0 307.459 3.879 40 0 DHABRN Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000048655909 183674070 /nfs/dbraw/zinc/67/40/70/183674070.db2.gz NQEQAIYDXCONMH-UHFFFAOYSA-N 0 0 309.818 3.782 40 0 DHABRN Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1N ZINC000057340485 184033866 /nfs/dbraw/zinc/03/38/66/184033866.db2.gz JASBHYSTWKORLM-UHFFFAOYSA-N 0 0 312.413 3.892 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)COc2cccc(C)c2C)cc1 ZINC000059351906 184137575 /nfs/dbraw/zinc/13/75/75/184137575.db2.gz DCACWLPBHVHIMO-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000059351099 184137583 /nfs/dbraw/zinc/13/75/83/184137583.db2.gz LGSUDEUKERYTSS-AWEZNQCLSA-N 0 0 313.397 3.812 40 0 DHABRN Cc1ccccc1OC[C@H](C)NC(=O)Cc1ccccc1Cl ZINC000065720287 184377503 /nfs/dbraw/zinc/37/75/03/184377503.db2.gz BCYPKWXSEAUJIL-AWEZNQCLSA-N 0 0 317.816 3.775 40 0 DHABRN CC(=O)c1cccc2cc([C@H]3CN(C(C)(C)C)C(=O)O3)oc21 ZINC000065733970 184378070 /nfs/dbraw/zinc/37/80/70/184378070.db2.gz GKIAZVRWKQSNAD-CQSZACIVSA-N 0 0 301.342 3.927 40 0 in-vitro DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F ZINC000113950922 194622248 /nfs/dbraw/zinc/62/22/48/194622248.db2.gz RWUDDLCJOWFPRU-HNNXBMFYSA-N 0 0 309.287 3.900 40 0 DHABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1C=NN=C12 ZINC000118917956 194941627 /nfs/dbraw/zinc/94/16/27/194941627.db2.gz ZOWUNTLIFRDPAL-AAXTVUCJSA-N 0 0 312.457 3.977 40 0 DHABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1C=NN=C12 ZINC000118917955 194941732 /nfs/dbraw/zinc/94/17/32/194941732.db2.gz ZOWUNTLIFRDPAL-OHLKBTDQSA-N 0 0 312.457 3.977 40 0 DHABRN CCNc1nc(Nc2ccccc2F)cc(C(F)(F)F)n1 ZINC000161759807 197516600 /nfs/dbraw/zinc/51/66/00/197516600.db2.gz IVBFHQHGQZICOB-UHFFFAOYSA-N 0 0 300.259 3.810 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000014737983 256525926 /nfs/dbraw/zinc/52/59/26/256525926.db2.gz KVILFADKFUXQBD-IRXDYDNUSA-N 0 0 311.425 3.900 40 0 DHABRN CC1CCN(C(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000098068418 256558780 /nfs/dbraw/zinc/55/87/80/256558780.db2.gz GAHUQKOLBVYNGF-UHFFFAOYSA-N 0 0 315.841 3.971 40 0 DHABRN CCCOc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 ZINC000104732413 256580519 /nfs/dbraw/zinc/58/05/19/256580519.db2.gz ZDVGVZFSLHOLOO-CALCHBBNSA-N 0 0 313.397 3.711 40 0 DHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F ZINC000113942651 256585179 /nfs/dbraw/zinc/58/51/79/256585179.db2.gz KUWONYYKLGQTKG-INIZCTEOSA-N 0 0 321.323 3.770 40 0 DHABRN C[C@@H]1CC[C@@H]1COc1ccc(I)cc1 ZINC000242718267 257120398 /nfs/dbraw/zinc/12/03/98/257120398.db2.gz XHQQLNGLVKBORD-NXEZZACHSA-N 0 0 302.155 3.716 40 0 DHABRN Cc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227784 257122537 /nfs/dbraw/zinc/12/25/37/257122537.db2.gz BTDVEIHAOLRLFE-HUUCEWRRSA-N 0 0 321.207 3.717 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213716 257126524 /nfs/dbraw/zinc/12/65/24/257126524.db2.gz VODBRXYUWBANDW-AWEZNQCLSA-N 0 0 303.406 3.728 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214413 257126645 /nfs/dbraw/zinc/12/66/45/257126645.db2.gz PGHRXZJZFYRXTR-AWEZNQCLSA-N 0 0 319.405 3.502 40 0 DHABRN CN(C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212692 257126871 /nfs/dbraw/zinc/12/68/71/257126871.db2.gz PEYLDLBHBFDURK-KRWDZBQOSA-N 0 0 309.413 3.515 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212053 257127282 /nfs/dbraw/zinc/12/72/82/257127282.db2.gz CVPWDMYVWYDBEL-GOSISDBHSA-N 0 0 310.397 3.734 40 0 DHABRN CCOC(=O)c1cnc2c(F)ccc(F)c2c1N(CC)CC ZINC000064874875 257128362 /nfs/dbraw/zinc/12/83/62/257128362.db2.gz ZHMLILCRHQTLKJ-UHFFFAOYSA-N 0 0 308.328 3.536 40 0 DHABRN Clc1ccc(N2CCOCC2)c(NCc2ccccc2)c1 ZINC000070948519 257217297 /nfs/dbraw/zinc/21/72/97/257217297.db2.gz SPCRMQMYKUZNSL-UHFFFAOYSA-N 0 0 302.805 3.789 40 0 DHABRN CCCOc1ccc(CNC(=O)c2ccccc2)cc1OCC ZINC000409378603 257220157 /nfs/dbraw/zinc/22/01/57/257220157.db2.gz QILDIMWQZYJSFG-UHFFFAOYSA-N 0 0 313.397 3.804 40 0 DHABRN Cc1ccc(C)c(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 ZINC000409206705 257220503 /nfs/dbraw/zinc/22/05/03/257220503.db2.gz VXWZIYHJOGKURH-UHFFFAOYSA-N 0 0 308.425 3.875 40 0 DHABRN O=C(Nc1cccc(O)c1)c1ccc(COc2ccccc2)o1 ZINC000409204950 257220697 /nfs/dbraw/zinc/22/06/97/257220697.db2.gz MLNNRBADFNYVPA-UHFFFAOYSA-N 0 0 309.321 3.817 40 0 DHABRN Cc1cc(C)cc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 ZINC000409207162 257220921 /nfs/dbraw/zinc/22/09/21/257220921.db2.gz PVSVJUNDRWSNBY-UHFFFAOYSA-N 0 0 308.425 3.875 40 0 DHABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1O ZINC000409109678 257222714 /nfs/dbraw/zinc/22/27/14/257222714.db2.gz JFNXYJZDVBDKEL-PTNGSMBKSA-N 0 0 309.365 3.698 40 0 DHABRN CCOc1cccc(/C=C2/c3ccccc3N(CC)C2=O)c1O ZINC000409109449 257222782 /nfs/dbraw/zinc/22/27/82/257222782.db2.gz FBOPPOUADTTXPO-QINSGFPZSA-N 0 0 309.365 3.698 40 0 DHABRN CCc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)s1 ZINC000409083314 257223471 /nfs/dbraw/zinc/22/34/71/257223471.db2.gz VEQUNAPTZCIZNL-UVTDQMKNSA-N 0 0 304.415 3.536 40 0 DHABRN CSc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000409082209 257223610 /nfs/dbraw/zinc/22/36/10/257223610.db2.gz RRBIVTZLZJIHIG-PTNGSMBKSA-N 0 0 316.426 3.634 40 0 DHABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O ZINC000409008895 257224600 /nfs/dbraw/zinc/22/46/00/257224600.db2.gz AAXLAPLPCRQRTM-LUHPIMIVSA-N 0 0 305.399 3.838 40 0 DHABRN Cc1cnc(Nc2ccc(Br)c(C)c2C)[nH]c1=O ZINC000408979111 257224608 /nfs/dbraw/zinc/22/46/08/257224608.db2.gz LJXHILCXUWMKTK-UHFFFAOYSA-N 0 0 308.179 3.614 40 0 DHABRN O=C1S/C(=C\c2ccccc2)C(=O)N1CCc1ccccc1 ZINC000409006396 257224768 /nfs/dbraw/zinc/22/47/68/257224768.db2.gz JHMSDWCISYLYNJ-SSZFMOIBSA-N 0 0 309.390 3.966 40 0 DHABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1cccs1 ZINC000408802680 257226951 /nfs/dbraw/zinc/22/69/51/257226951.db2.gz GBESHXAPKKHRSJ-UHFFFAOYSA-N 0 0 305.379 3.650 40 0 DHABRN Cc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1C ZINC000408708519 257227742 /nfs/dbraw/zinc/22/77/42/257227742.db2.gz JKYJIFMCLIPKCZ-UHFFFAOYSA-N 0 0 324.424 3.682 40 0 DHABRN Cc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc1 ZINC000408530907 257230450 /nfs/dbraw/zinc/23/04/50/257230450.db2.gz SAPMYXHCPZULPA-UHFFFAOYSA-N 0 0 304.349 3.980 40 0 DHABRN CC(=O)C1C[C@@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@@H]3C(C)(C)N2C1=O ZINC000390822405 257260640 /nfs/dbraw/zinc/26/06/40/257260640.db2.gz TUGDEWADZKLGJL-OEVSHUNASA-N 0 0 322.408 3.649 40 0 DHABRN COc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000123014705 195533547 /nfs/dbraw/zinc/53/35/47/195533547.db2.gz JTEXKCSBTORLSR-UHFFFAOYSA-N 0 0 312.300 3.742 40 0 DHABRN CCCC(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000006515974 134475699 /nfs/dbraw/zinc/47/56/99/134475699.db2.gz JTGVCGMOOMUMLO-UHFFFAOYSA-N 0 0 319.474 3.536 40 0 DHABRN Cc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 ZINC000020137504 331584338 /nfs/dbraw/zinc/58/43/38/331584338.db2.gz RDQXAGGUDBDGOK-UHFFFAOYSA-N 0 0 307.349 4.000 40 0 DHABRN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000257346151 331965012 /nfs/dbraw/zinc/96/50/12/331965012.db2.gz SLGYIGUMKJYZLP-SSCLMBNUSA-N 0 0 318.457 3.528 40 0 DHABRN Clc1ccc(Cc2nnc(-c3cnc(C4CC4)nc3)o2)cc1 ZINC000216616619 333388817 /nfs/dbraw/zinc/38/88/17/333388817.db2.gz ZTQNGWYZFVZCLA-UHFFFAOYSA-N 0 0 312.760 3.648 40 0 DHABRN O=C(/C=C/c1ccco1)Nc1c2nsnc2ccc1Cl ZINC000057312929 333396453 /nfs/dbraw/zinc/39/64/53/333396453.db2.gz GZMYQWCELSADKS-ZZXKWVIFSA-N 0 0 305.746 3.590 40 0 DHABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)C(F)(F)F ZINC000057316794 333396772 /nfs/dbraw/zinc/39/67/72/333396772.db2.gz CKKJICNPYXQCFS-UHFFFAOYSA-N 0 0 306.715 3.831 40 0 DHABRN C[C@@]12CCC(=O)[C@@H](O)[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)C(=O)CCC[C@@H]12 ZINC000245190550 341285140 /nfs/dbraw/zinc/28/51/40/341285140.db2.gz PSDYUQOKDCQVKL-APJTUZKOSA-N 0 0 318.457 3.528 40 0 DHABRN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(Oc2cccc(F)c2)CC1 ZINC000247796502 341370299 /nfs/dbraw/zinc/37/02/99/341370299.db2.gz CXAULPJWYKPJTL-PIIMJCKOSA-N 0 0 317.404 3.632 40 0 DHABRN Cc1cccc(-c2cnc3n2CCN(C(=O)c2cccs2)C3)c1 ZINC000306142298 534551687 /nfs/dbraw/zinc/55/16/87/534551687.db2.gz WVQHWSAQEGMFTR-UHFFFAOYSA-N 0 0 323.421 3.576 40 0 DHABRN CCNc1nc(NCc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000318327050 528441114 /nfs/dbraw/zinc/44/11/14/528441114.db2.gz RFWUXOGPDPWJDZ-UHFFFAOYSA-N 0 0 314.286 3.678 40 0 DHABRN CCOc1ccc(Nc2cc(C(F)(F)F)nc(NC)n2)cc1 ZINC000318541353 528556688 /nfs/dbraw/zinc/55/66/88/528556688.db2.gz YNJVGHAUASJVQO-UHFFFAOYSA-N 0 0 312.295 3.679 40 0 DHABRN CCCc1nc2sc(C)c(C)c2c(SCC(=O)OCC)n1 ZINC000000414022 563608900 /nfs/dbraw/zinc/60/89/00/563608900.db2.gz HRLCHMBSHSQJRI-UHFFFAOYSA-N 0 0 324.471 3.916 40 0 DHABRN CCCNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1 ZINC000225470316 563756123 /nfs/dbraw/zinc/75/61/23/563756123.db2.gz YLJWSNPQGCKYIX-UHFFFAOYSA-N 0 0 303.793 3.806 40 0 DHABRN O=C(Cc1ccccc1Cl)NCCSCc1ccccc1 ZINC000225434852 563755298 /nfs/dbraw/zinc/75/52/98/563755298.db2.gz KRLCBAAMGWZSIW-UHFFFAOYSA-N 0 0 319.857 3.932 40 0 DHABRN Cc1nnc(SCc2ccccc2Cl)n1C[C@@H]1CCCO1 ZINC000000420994 563252607 /nfs/dbraw/zinc/25/26/07/563252607.db2.gz HGTKYWSHPZBYLR-ZDUSSCGKSA-N 0 0 323.849 3.711 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)N(C)C2CCCCC2)cc1 ZINC000030848688 563438882 /nfs/dbraw/zinc/43/88/82/563438882.db2.gz NMXPQJHJMVSJIJ-CYBMUJFWSA-N 0 0 307.459 3.967 40 0 DHABRN CC(C)(O)c1ccc2c(c1)C(=O)C[C@@H]1[C@](C)(CO)CCC[C@]21C ZINC000013302714 560214000 /nfs/dbraw/zinc/21/40/00/560214000.db2.gz DNAMQWAMMWRLBC-YZGWKJHDSA-N 0 0 316.441 3.557 40 0 biogenic,in-vitro DHABRN COc1ccc(OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000000201790 563230252 /nfs/dbraw/zinc/23/02/52/563230252.db2.gz LSJKRVRGKCUGDL-AUUYWEPGSA-N 0 0 317.429 3.501 40 0 DHABRN Cc1ccc(-n2nnnc2-c2ccc(Cl)cc2)cc1Cl ZINC000000351590 563243055 /nfs/dbraw/zinc/24/30/55/563243055.db2.gz CGRPJSUPTBGYGN-UHFFFAOYSA-N 0 0 305.168 3.945 40 0 DHABRN COc1cc(OC)cc(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000000364459 563245221 /nfs/dbraw/zinc/24/52/21/563245221.db2.gz BUCDGDNHGITUHB-SFHVURJKSA-N 0 0 311.381 3.511 40 0 DHABRN Cc1nn(CN2CCCCC2)c(=S)n1-c1cccc(C)c1C ZINC000000390677 563249253 /nfs/dbraw/zinc/24/92/53/563249253.db2.gz UTLNCWCRWGMFHG-UHFFFAOYSA-N 0 0 316.474 3.772 40 0 DHABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)c(C)c1 ZINC000000570476 563267095 /nfs/dbraw/zinc/26/70/95/563267095.db2.gz ISRTYXRKIKOGRA-UHFFFAOYSA-N 0 0 302.374 3.569 40 0 DHABRN Cc1ccc(C)c([C@H]2CC(c3cc4ccccc4oc3=O)=NN2)c1 ZINC000001101793 563277016 /nfs/dbraw/zinc/27/70/16/563277016.db2.gz WWIKTEYXOLBIJN-QGZVFWFLSA-N 0 0 318.376 3.849 40 0 DHABRN CCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000001134649 563277846 /nfs/dbraw/zinc/27/78/46/563277846.db2.gz QKEFASJJOCKTFP-YFHOEESVSA-N 0 0 312.188 3.505 40 0 DHABRN CC(=O)Nc1ccc2c(c1)C(=O)c1cc(Br)ccc1-2 ZINC000001580962 563286385 /nfs/dbraw/zinc/28/63/85/563286385.db2.gz CKPVHGKLBSCMFU-UHFFFAOYSA-N 0 0 316.154 3.619 40 0 DHABRN O=C(OCc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000001614644 563288066 /nfs/dbraw/zinc/28/80/66/563288066.db2.gz WAQRGXFNOVQNMA-UHFFFAOYSA-N 0 0 306.317 3.926 40 0 DHABRN CN(C)c1c(Cl)c(=O)oc2c1CCSc1ccccc1-2 ZINC000001612288 563288149 /nfs/dbraw/zinc/28/81/49/563288149.db2.gz WRRVPXUFIQMFKZ-UHFFFAOYSA-N 0 0 307.802 3.674 40 0 DHABRN CCNc1ncnc2sc(SCc3ccccc3)nc21 ZINC000001640553 563288774 /nfs/dbraw/zinc/28/87/74/563288774.db2.gz TYWNEWUDTLNZRS-UHFFFAOYSA-N 0 0 302.428 3.810 40 0 DHABRN C[C@H](C[NH+]1CCCC1)OC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000001683408 563291126 /nfs/dbraw/zinc/29/11/26/563291126.db2.gz CNFNVXPDSNSPKW-APWZRJJASA-N 0 0 315.457 3.988 40 0 DHABRN CN(CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000001700085 563291826 /nfs/dbraw/zinc/29/18/26/563291826.db2.gz YYHAXALUHJQUNM-UHFFFAOYSA-N 0 0 304.187 3.768 40 0 DHABRN COc1cccc(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1OC ZINC000001711318 563292656 /nfs/dbraw/zinc/29/26/56/563292656.db2.gz RENOGJSUOODSNX-HOCLYGCPSA-N 0 0 318.413 3.985 40 0 DHABRN CCOC(=O)N1N=N[C@@H](C)[C@]1(c1ccccc1)N1CCCCC1 ZINC000001720311 563293159 /nfs/dbraw/zinc/29/31/59/563293159.db2.gz UUYWXVKCDSRUDH-YOEHRIQHSA-N 0 0 316.405 3.553 40 0 DHABRN CC(=O)Nc1cc2c(c(NC(C)=O)c1C)C(C)(C)CC2(C)C ZINC000001747562 563294694 /nfs/dbraw/zinc/29/46/94/563294694.db2.gz CHVPHZZXDXGZQP-UHFFFAOYSA-N 0 0 302.418 3.871 40 0 DHABRN CC(C)[C@@H]1CC[C@](C)(C(=O)OCc2ccc3c(c2)OCO3)C1 ZINC000001866892 563297137 /nfs/dbraw/zinc/29/71/37/563297137.db2.gz SORXWZCCEBTRKW-KDOFPFPSSA-N 0 0 304.386 3.921 40 0 DHABRN C[C@@H](COc1ccc(Cl)cc1)OC(=O)Cc1ccccc1 ZINC000002046290 563298608 /nfs/dbraw/zinc/29/86/08/563298608.db2.gz QTIFCYQKRFOZPW-ZDUSSCGKSA-N 0 0 304.773 3.893 40 0 DHABRN S=C(NCc1ccccc1)Nc1cccc(Br)c1 ZINC000006896630 563334533 /nfs/dbraw/zinc/33/45/33/563334533.db2.gz YEEAQDJDNRXJNQ-UHFFFAOYSA-N 0 0 321.243 3.936 40 0 DHABRN C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000006851022 563334674 /nfs/dbraw/zinc/33/46/74/563334674.db2.gz CQOSJBKEMYGNBZ-XHDPSFHLSA-N 0 0 304.777 3.584 40 0 DHABRN S=C(NCc1ccco1)Nc1cccc(Br)c1 ZINC000006896256 563334805 /nfs/dbraw/zinc/33/48/05/563334805.db2.gz SDRJDJOSNKJBQH-UHFFFAOYSA-N 0 0 311.204 3.529 40 0 DHABRN Cc1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000007897121 563343111 /nfs/dbraw/zinc/34/31/11/563343111.db2.gz GIVOSQDPHRQRJA-UHFFFAOYSA-N 0 0 311.425 3.988 40 0 DHABRN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1Cc1c[nH]nc12 ZINC000008615307 563348086 /nfs/dbraw/zinc/34/80/86/563348086.db2.gz WOAIFOIONHSFPQ-STOLFRJFSA-N 0 0 314.473 3.827 40 0 DHABRN O=C([O-])C1([NH2+]Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000008698559 563349413 /nfs/dbraw/zinc/34/94/13/563349413.db2.gz TZPNGAPPEIUPNN-UHFFFAOYSA-N 0 0 301.308 3.583 40 0 DHABRN O=C1S/C(=C/c2ccncc2)C(=O)N1c1cccc(Cl)c1 ZINC000009234599 563353007 /nfs/dbraw/zinc/35/30/07/563353007.db2.gz OFDHQUXTCMSDGI-MDWZMJQESA-N 0 0 316.769 3.976 40 0 DHABRN Cc1cc(C)cc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1 ZINC000009910286 563354480 /nfs/dbraw/zinc/35/44/80/563354480.db2.gz ZXCDXXBMXSFHDO-UHFFFAOYSA-N 0 0 302.761 3.534 40 0 DHABRN Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccccc1O)C2 ZINC000010156801 563355154 /nfs/dbraw/zinc/35/51/54/563355154.db2.gz KTWGFIOLACTWOZ-AWEZNQCLSA-N 0 0 318.376 3.799 40 0 DHABRN Nc1ccc(Cl)cc1C(=O)c1ccccc1Br ZINC000010152037 563355423 /nfs/dbraw/zinc/35/54/23/563355423.db2.gz MMNNWWHQUBSSIV-UHFFFAOYSA-N 0 0 310.578 3.916 40 0 DHABRN Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 ZINC000010326080 563355996 /nfs/dbraw/zinc/35/59/96/563355996.db2.gz ONMDXSJZJAXUAR-UHFFFAOYSA-N 0 0 324.424 3.705 40 0 DHABRN CCSc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000011689741 563359032 /nfs/dbraw/zinc/35/90/32/563359032.db2.gz ARVVFOQIJZMSRA-UHFFFAOYSA-N 0 0 315.394 3.822 40 0 DHABRN Cc1ccc2nc(-c3ccc4c(c3)CCN4C(=O)C(C)C)cn2c1 ZINC000012088180 563361751 /nfs/dbraw/zinc/36/17/51/563361751.db2.gz CHFKAGIRNKHHTJ-UHFFFAOYSA-N 0 0 319.408 3.855 40 0 DHABRN Cc1ccc2nc(-c3ccc4c(c3)CCN4C(=O)C3CC3)cn2c1 ZINC000012088183 563362031 /nfs/dbraw/zinc/36/20/31/563362031.db2.gz RXNNRVLSDYSGHB-UHFFFAOYSA-N 0 0 317.392 3.609 40 0 DHABRN Cc1cccc2cc(C(=O)NCCCc3ccccn3)c(C)nc12 ZINC000012148600 563363035 /nfs/dbraw/zinc/36/30/35/563363035.db2.gz KMCHGGFCYNNTNM-UHFFFAOYSA-N 0 0 319.408 3.609 40 0 DHABRN Cc1cc2occ(CC(=O)NCc3cc(C4CC4)n[nH]3)c2cc1C ZINC000012147231 563363083 /nfs/dbraw/zinc/36/30/83/563363083.db2.gz WEADSQYVTQBYAB-UHFFFAOYSA-N 0 0 323.396 3.509 40 0 DHABRN CC(C)[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1cccs1 ZINC000012147331 563363141 /nfs/dbraw/zinc/36/31/41/563363141.db2.gz NQXIAFFTSRJSIN-HNNXBMFYSA-N 0 0 317.458 3.867 40 0 DHABRN Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012221443 563364562 /nfs/dbraw/zinc/36/45/62/563364562.db2.gz QXPQKQAWRNUKHO-HNNXBMFYSA-N 0 0 324.384 3.535 40 0 DHABRN CCc1[nH]c2ccc(C(=O)Nc3c(CC)c(C)nn3C)cc2c1C ZINC000012201037 563364879 /nfs/dbraw/zinc/36/48/79/563364879.db2.gz NFTRMVUDQJVNBP-UHFFFAOYSA-N 0 0 324.428 3.895 40 0 DHABRN Cc1cc(-c2cnc(N3CCCCC3)nc2-c2ccoc2C)on1 ZINC000012251517 563365465 /nfs/dbraw/zinc/36/54/65/563365465.db2.gz RAULHQGNJRRRPY-UHFFFAOYSA-N 0 0 324.384 3.999 40 0 DHABRN Cc1ncc([C@@H](O)c2cccc(Cl)c2)n1Cc1ccccc1 ZINC000013281786 563379979 /nfs/dbraw/zinc/37/99/79/563379979.db2.gz CSKXPFXFIQQXMA-SFHVURJKSA-N 0 0 312.800 3.975 40 0 DHABRN c1cc(-c2cnc(N3CCCC3)nc2-c2cccnc2)cs1 ZINC000013266241 563380230 /nfs/dbraw/zinc/38/02/30/563380230.db2.gz BXAXAUGSWRJNHX-UHFFFAOYSA-N 0 0 308.410 3.867 40 0 DHABRN O=C(c1ccco1)N1CCC(c2onc3c2CCCCC3)CC1 ZINC000013266358 563380404 /nfs/dbraw/zinc/38/04/04/563380404.db2.gz WESKZJOZSCKSFI-UHFFFAOYSA-N 0 0 314.385 3.556 40 0 DHABRN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000013649819 563384287 /nfs/dbraw/zinc/38/42/87/563384287.db2.gz JFNIKFUZLJNKOH-LBPRGKRZSA-N 0 0 301.773 3.697 40 0 DHABRN Cc1ccc(C)c(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000013710319 563386723 /nfs/dbraw/zinc/38/67/23/563386723.db2.gz KSIPBCXCYCHCQT-MRXNPFEDSA-N 0 0 309.409 3.656 40 0 DHABRN COc1ccc(OC)c([C@H](C)NC(=S)Nc2ccccc2)c1 ZINC000013754963 563389002 /nfs/dbraw/zinc/38/90/02/563389002.db2.gz KGOPOOCPIQCIAI-LBPRGKRZSA-N 0 0 316.426 3.751 40 0 DHABRN S=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000013786495 563389373 /nfs/dbraw/zinc/38/93/73/563389373.db2.gz IUHDMLABBDHZJY-UHFFFAOYSA-N 0 0 306.774 3.878 40 0 DHABRN Cc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000013938197 563392656 /nfs/dbraw/zinc/39/26/56/563392656.db2.gz RFIGFAZCINTOJE-INIZCTEOSA-N 0 0 317.454 3.960 40 0 DHABRN CCc1ccc([C@H](C)NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000014219075 563398580 /nfs/dbraw/zinc/39/85/80/563398580.db2.gz YGCJCISZQMRPIF-HNNXBMFYSA-N 0 0 317.454 3.905 40 0 DHABRN CC[C@H](NC(=O)COc1ccccc1F)c1ccc(C)cc1 ZINC000014602631 563401536 /nfs/dbraw/zinc/40/15/36/563401536.db2.gz SWTAYXABXDNFBQ-INIZCTEOSA-N 0 0 301.361 3.780 40 0 DHABRN Cc1ccc(-c2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000020799304 563417581 /nfs/dbraw/zinc/41/75/81/563417581.db2.gz VFUSCVMIPZLGJO-INIZCTEOSA-N 0 0 320.392 3.551 40 0 DHABRN COCc1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000025334670 563422521 /nfs/dbraw/zinc/42/25/21/563422521.db2.gz HNLUAPPOJKPOIP-ZDUSSCGKSA-N 0 0 301.411 3.952 40 0 DHABRN O=Cc1ccc(OCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000025454024 563423021 /nfs/dbraw/zinc/42/30/21/563423021.db2.gz MFJPIAVJKZKOGY-UHFFFAOYSA-N 0 0 314.728 3.782 40 0 DHABRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028580379 563432461 /nfs/dbraw/zinc/43/24/61/563432461.db2.gz ZITAGHQJAUYLLB-UHFFFAOYSA-N 0 0 309.818 3.864 40 0 DHABRN CC[C@H](Oc1ccccc1C)C(=O)NCCCc1ccccc1 ZINC000030851643 563438835 /nfs/dbraw/zinc/43/88/35/563438835.db2.gz XMPFXALQWYBPLO-SFHVURJKSA-N 0 0 311.425 3.901 40 0 DHABRN Nc1ncnc2[nH]cc(-c3cccc(OCc4ccccc4)c3)c21 ZINC000036294281 563454754 /nfs/dbraw/zinc/45/47/54/563454754.db2.gz ZQRJZBYXLDCLFV-UHFFFAOYSA-N 0 0 316.364 3.786 40 0 DHABRN CC(C)Oc1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000036559408 563455291 /nfs/dbraw/zinc/45/52/91/563455291.db2.gz FHNUQIBTVZRNSZ-UHFFFAOYSA-N 0 0 300.427 3.960 40 0 DHABRN CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000036561538 563455366 /nfs/dbraw/zinc/45/53/66/563455366.db2.gz TUUUYDXMIAZNDQ-HNNXBMFYSA-N 0 0 313.397 3.558 40 0 DHABRN CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(C)c(C)c2)C1=O ZINC000036635544 563456366 /nfs/dbraw/zinc/45/63/66/563456366.db2.gz ZMACFTRFKLAXBC-KRWDZBQOSA-N 0 0 322.408 3.610 40 0 DHABRN CC(=O)Nc1ccccc1Sc1ccccc1NC(C)=O ZINC000037638269 563458615 /nfs/dbraw/zinc/45/86/15/563458615.db2.gz ZICFROMPZDSWLU-UHFFFAOYSA-N 0 0 300.383 3.755 40 0 DHABRN COc1ccc(CN(C)C(=O)CCc2ccccc2Cl)cc1 ZINC000044818491 563462432 /nfs/dbraw/zinc/46/24/32/563462432.db2.gz VTFQQBOKWAOWHV-UHFFFAOYSA-N 0 0 317.816 3.940 40 0 DHABRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000044900206 563463638 /nfs/dbraw/zinc/46/36/38/563463638.db2.gz TWFBCTMWPFLCLI-OAUONFCTSA-N 0 0 309.365 3.614 40 0 DHABRN Cc1ccc(C)c(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000044901167 563463730 /nfs/dbraw/zinc/46/37/30/563463730.db2.gz WLYKJCHFDAVBSJ-UHFFFAOYSA-N 0 0 322.408 3.611 40 0 DHABRN CCOc1ccccc1CNC(=O)[C@@H](C)Sc1ccccc1 ZINC000044900040 563463855 /nfs/dbraw/zinc/46/38/55/563463855.db2.gz QLYWECXZKDFNCP-CQSZACIVSA-N 0 0 315.438 3.882 40 0 DHABRN CC[C@@H](C)NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000045819315 563465709 /nfs/dbraw/zinc/46/57/09/563465709.db2.gz KMJFXNJRZRRQJY-CYBMUJFWSA-N 0 0 315.417 3.707 40 0 DHABRN O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@@H]2CCC[C@H]1COC2 ZINC000085471107 563467181 /nfs/dbraw/zinc/46/71/81/563467181.db2.gz UCKSYPURHXTCLD-PHIMTYICSA-N 0 0 315.200 3.779 40 0 DHABRN COc1ccc(C)cc1Nc1cc(N)nc(-c2ccc(F)cc2)n1 ZINC000049467997 563467695 /nfs/dbraw/zinc/46/76/95/563467695.db2.gz BJCDDFCSQOBTJW-UHFFFAOYSA-N 0 0 324.359 3.926 40 0 DHABRN COc1ccc2c(c1OC)C(=O)O[C@H]2NC1CCCCCCC1 ZINC000054172781 563470359 /nfs/dbraw/zinc/47/03/59/563470359.db2.gz YIEMRGCHQSRBRA-QGZVFWFLSA-N 0 0 319.401 3.575 40 0 DHABRN COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)cc1C ZINC000055558768 563476578 /nfs/dbraw/zinc/47/65/78/563476578.db2.gz VRINQSROMHRWOY-UHFFFAOYSA-N 0 0 319.426 3.730 40 0 DHABRN C[C@@H](COc1ccccc1)NC(=O)c1ccc(Cl)cc1F ZINC000055732780 563477404 /nfs/dbraw/zinc/47/74/04/563477404.db2.gz OFYRTQDDLHIVIV-NSHDSACASA-N 0 0 307.752 3.676 40 0 DHABRN Cc1[nH]c2c(cc(Br)nc2Br)c1C ZINC000071256367 563498431 /nfs/dbraw/zinc/49/84/31/563498431.db2.gz QHCDNODUINREGC-UHFFFAOYSA-N 0 0 303.985 3.705 40 0 DHABRN COc1ccc(-c2cc(-c3cccc(C)c3)nc(N)n2)c(OC)c1 ZINC000071977508 563501306 /nfs/dbraw/zinc/50/13/06/563501306.db2.gz OHJFFDXPQRGPJE-UHFFFAOYSA-N 0 0 321.380 3.718 40 0 DHABRN Nc1cnccc1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000199711463 563515942 /nfs/dbraw/zinc/51/59/42/563515942.db2.gz NHDGNIIJTJEXKH-UHFFFAOYSA-N 0 0 300.667 3.567 40 0 DHABRN FC(F)(Br)C(F)(F)C(F)(F)Br ZINC000095864635 563530718 /nfs/dbraw/zinc/53/07/18/563530718.db2.gz JUBPKZOWXSVBAO-UHFFFAOYSA-N 0 0 309.829 3.597 40 0 DHABRN Cc1nc(-c2cc(C(=O)N3CCCC3)c3ccccn23)cs1 ZINC000096154806 563534590 /nfs/dbraw/zinc/53/45/90/563534590.db2.gz DRVQSCGWUQCNDL-UHFFFAOYSA-N 0 0 311.410 3.607 40 0 DHABRN Cc1nc(-c2cc(C(=O)NCC3CC3)c3ccccn23)cs1 ZINC000096266744 563536408 /nfs/dbraw/zinc/53/64/08/563536408.db2.gz XXPRTGJQARKBEM-UHFFFAOYSA-N 0 0 311.410 3.511 40 0 DHABRN COc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000096586346 563536974 /nfs/dbraw/zinc/53/69/74/563536974.db2.gz BTRLMXRBZRWBEV-UHFFFAOYSA-N 0 0 311.381 3.592 40 0 DHABRN Cc1ccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1C ZINC000101275517 563556949 /nfs/dbraw/zinc/55/69/49/563556949.db2.gz NILRWCKAVSGCSB-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN CCc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2C)C1=O ZINC000101275653 563557125 /nfs/dbraw/zinc/55/71/25/563557125.db2.gz XZICPRNDUHWUGV-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN N[C@H](c1nc(-c2ccccc2Cl)n[nH]1)c1ccc(Cl)cc1 ZINC000095533997 563567818 /nfs/dbraw/zinc/56/78/18/563567818.db2.gz XONOXRIXVNDEIP-ZDUSSCGKSA-N 0 0 319.195 3.827 40 0 DHABRN COc1ccc(C(=O)Oc2ccc(C)cc2Br)cc1 ZINC000000149108 563573251 /nfs/dbraw/zinc/57/32/51/563573251.db2.gz OTFCZSFZHIBMJZ-UHFFFAOYSA-N 0 0 321.170 3.985 40 0 DHABRN CCCc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 ZINC000000148475 563573351 /nfs/dbraw/zinc/57/33/51/563573351.db2.gz UPRGTOAFEUQWSP-UHFFFAOYSA-N 0 0 319.430 3.632 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(F)c1 ZINC000113951655 563585911 /nfs/dbraw/zinc/58/59/11/563585911.db2.gz ABCCHKQTIRSCJU-INIZCTEOSA-N 0 0 303.333 3.630 40 0 DHABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(F)cc1 ZINC000113970250 563586123 /nfs/dbraw/zinc/58/61/23/563586123.db2.gz SECDUTGFMUYRSX-GOSISDBHSA-N 0 0 315.388 3.916 40 0 DHABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(F)cc1 ZINC000113970249 563586207 /nfs/dbraw/zinc/58/62/07/563586207.db2.gz SECDUTGFMUYRSX-SFHVURJKSA-N 0 0 315.388 3.916 40 0 DHABRN CCOc1cc(C(=O)NCc2ccccc2)cc(Cl)c1OC ZINC000006350922 563592908 /nfs/dbraw/zinc/59/29/08/563592908.db2.gz WIVXFAKOJJXOAW-UHFFFAOYSA-N 0 0 319.788 3.677 40 0 DHABRN c1ccc(CNc2cc(N3CCc4ccccc4C3)ncn2)cc1 ZINC000243202116 563604601 /nfs/dbraw/zinc/60/46/01/563604601.db2.gz KFPZNASDTQNXKP-UHFFFAOYSA-N 0 0 316.408 3.651 40 0 DHABRN Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(C)c1 ZINC000000045003 563606962 /nfs/dbraw/zinc/60/69/62/563606962.db2.gz JMVQYBJGDQJION-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN COc1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)cc1 ZINC000000264477 563607344 /nfs/dbraw/zinc/60/73/44/563607344.db2.gz OCTKFLYJXZSLIG-UHFFFAOYSA-N 0 0 318.376 3.984 40 0 aggregator DHABRN Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C)n2)c(C)c1 ZINC000000411668 563608100 /nfs/dbraw/zinc/60/81/00/563608100.db2.gz YLFRFEWFJFFQNO-UHFFFAOYSA-N 0 0 315.442 3.750 40 0 DHABRN Cc1cc(C)n(CC(=O)N(C2CCCCC2)C2CCCCC2)n1 ZINC000000411878 563608117 /nfs/dbraw/zinc/60/81/17/563608117.db2.gz OKHBMUFRSRTBBW-UHFFFAOYSA-N 0 0 317.477 3.994 40 0 DHABRN O=C(C[NH2+]C1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000000411756 563608165 /nfs/dbraw/zinc/60/81/65/563608165.db2.gz BUVPXRLLVYZSRD-UHFFFAOYSA-N 0 0 300.324 3.566 40 0 DHABRN Cc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1C ZINC000000418118 563608959 /nfs/dbraw/zinc/60/89/59/563608959.db2.gz QUMPBKYNONSAID-UHFFFAOYSA-N 0 0 314.366 3.921 40 0 DHABRN CCCN(C(=O)CC)c1nnc(-c2ccc(OCC)cc2)s1 ZINC000001345554 563620307 /nfs/dbraw/zinc/62/03/07/563620307.db2.gz BKDJMESQQBBCNV-UHFFFAOYSA-N 0 0 319.430 3.757 40 0 DHABRN CCCC(=O)Nc1cnc(NC(=O)c2ccccc2F)cc1C ZINC000001352753 563620789 /nfs/dbraw/zinc/62/07/89/563620789.db2.gz XEJIAOJIZXNJNV-UHFFFAOYSA-N 0 0 315.348 3.520 40 0 DHABRN CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000008556167 563625296 /nfs/dbraw/zinc/62/52/96/563625296.db2.gz LGSLAQWUQSSOBO-UHFFFAOYSA-N 0 0 324.424 3.644 40 0 DHABRN CC[C@H](C)NC(=O)CSCc1ccc(Br)cc1 ZINC000107567808 563640623 /nfs/dbraw/zinc/64/06/23/563640623.db2.gz HRRBPIXDWDRPNB-JTQLQIEISA-N 0 0 316.264 3.597 40 0 DHABRN Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)c1 ZINC000007882288 563641127 /nfs/dbraw/zinc/64/11/27/563641127.db2.gz KDYOFADDLOAOMI-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 ZINC000008479930 563642832 /nfs/dbraw/zinc/64/28/32/563642832.db2.gz BZUVKFJOVMIUJL-OAHLLOKOSA-N 0 0 311.381 3.912 40 0 DHABRN CC(C)(C)C(=O)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000008555965 563643565 /nfs/dbraw/zinc/64/35/65/563643565.db2.gz WULYTYHLBNCVKE-UHFFFAOYSA-N 0 0 305.230 3.853 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1OC ZINC000008499511 563643682 /nfs/dbraw/zinc/64/36/82/563643682.db2.gz XWGCTIGBUZMELP-AWEZNQCLSA-N 0 0 303.333 3.630 40 0 DHABRN O=C(Nc1ccc(Cl)cc1)C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000013140113 563657336 /nfs/dbraw/zinc/65/73/36/563657336.db2.gz OSVHMFGRCLKTFY-GKUGFIGPSA-N 0 0 305.805 3.610 40 0 DHABRN Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C ZINC000014291437 563667282 /nfs/dbraw/zinc/66/72/82/563667282.db2.gz NNWIOLSWUMGMOO-UHFFFAOYSA-N 0 0 309.818 3.899 40 0 DHABRN Cc1cc(C)cc(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000014398574 563667726 /nfs/dbraw/zinc/66/77/26/563667726.db2.gz IFKGBVFGTXFJEC-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 ZINC000014424118 563671339 /nfs/dbraw/zinc/67/13/39/563671339.db2.gz HYDMKZKYHIMUBL-UHFFFAOYSA-N 0 0 322.408 3.920 40 0 DHABRN Fc1ccc(N2CCCCC2)c(NC(=S)c2ccncc2)c1 ZINC000150288174 563678094 /nfs/dbraw/zinc/67/80/94/563678094.db2.gz VRKZHYSJZOUICG-UHFFFAOYSA-N 0 0 315.417 3.999 40 0 DHABRN CC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@H]2[C@@H]1c1ccco1 ZINC000004555190 563686224 /nfs/dbraw/zinc/68/62/24/563686224.db2.gz GUESWBIUECWPCJ-VUCTXSBTSA-N 0 0 301.317 3.604 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000216256713 563708153 /nfs/dbraw/zinc/70/81/53/563708153.db2.gz KXACRYAAIBLLHZ-CABCVRRESA-N 0 0 309.409 3.994 40 0 DHABRN CCOc1ncccc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC000216608148 563710259 /nfs/dbraw/zinc/71/02/59/563710259.db2.gz MYYYZQGSYWXRJZ-UHFFFAOYSA-N 0 0 301.733 3.851 40 0 DHABRN CCCOc1cccc(C(=O)n2cc(C=O)c3ccccc32)c1 ZINC000216957231 563712722 /nfs/dbraw/zinc/71/27/22/563712722.db2.gz VIVPPZRPNCVNBL-UHFFFAOYSA-N 0 0 307.349 3.931 40 0 DHABRN Cc1ccc(C)c(OCC(=O)NCCCc2ccc(F)cc2)c1 ZINC000218950010 563717393 /nfs/dbraw/zinc/71/73/93/563717393.db2.gz MDPUOESIJPMXBC-UHFFFAOYSA-N 0 0 315.388 3.570 40 0 DHABRN CCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000219956875 563722412 /nfs/dbraw/zinc/72/24/12/563722412.db2.gz KXTWZRUXQJCQQF-OAHLLOKOSA-N 0 0 313.397 3.591 40 0 DHABRN Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000222578814 563726683 /nfs/dbraw/zinc/72/66/83/563726683.db2.gz SKEYZNZTIDBPCP-UHFFFAOYSA-N 0 0 307.328 3.843 40 0 DHABRN CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000222729072 563727924 /nfs/dbraw/zinc/72/79/24/563727924.db2.gz RBMYRFAGWQWMGI-GOSISDBHSA-N 0 0 322.408 3.695 40 0 DHABRN Cc1ccccc1OCC(=O)NCc1cccc2ccccc21 ZINC000222824887 563728470 /nfs/dbraw/zinc/72/84/70/563728470.db2.gz URYRWPHDFIMLCY-UHFFFAOYSA-N 0 0 305.377 3.843 40 0 DHABRN Cc1cccc(OCC(=O)NCc2ccc3ccccc3c2)c1 ZINC000222814804 563728635 /nfs/dbraw/zinc/72/86/35/563728635.db2.gz RFGWWISJRMGNQU-UHFFFAOYSA-N 0 0 305.377 3.843 40 0 DHABRN C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc(Cl)cc1F ZINC000222903292 563729217 /nfs/dbraw/zinc/72/92/17/563729217.db2.gz GSRSLBOCISBUEK-LLVKDONJSA-N 0 0 303.764 3.999 40 0 DHABRN CCCSc1nnc(NC(=O)Cc2cc(C)ccc2C)s1 ZINC000222894285 563729507 /nfs/dbraw/zinc/72/95/07/563729507.db2.gz JDKMUEBCGVFZJM-UHFFFAOYSA-N 0 0 321.471 3.838 40 0 DHABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccco1 ZINC000223074565 563730467 /nfs/dbraw/zinc/73/04/67/563730467.db2.gz SQUVLYGGPCFXQE-SFHVURJKSA-N 0 0 313.397 3.632 40 0 DHABRN 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311.410 3.563 40 0 DHABRN NC(=O)/C=C\c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000361634177 563800469 /nfs/dbraw/zinc/80/04/69/563800469.db2.gz CXCXDESSFKGGQU-DAXSKMNVSA-N 0 0 305.736 3.557 40 0 DHABRN Cc1ccc(C)c(Nc2cc(Cl)nc(-c3cccnc3)n2)c1 ZINC000329014020 563801811 /nfs/dbraw/zinc/80/18/11/563801811.db2.gz MTRWCUQWRLVKIC-UHFFFAOYSA-N 0 0 310.788 4.552 40 0 DHABRN C[C@@H]1CN1[P@@](=O)(Oc1cccc2ccccc21)N1C[C@@H]1C ZINC000301054493 563807662 /nfs/dbraw/zinc/80/76/62/563807662.db2.gz VHFHHVZUPGCQJK-CGPAKSPXSA-N 0 0 302.314 3.735 40 0 DHABRN Cc1cc(C)cc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)c1 ZINC000329010269 563832916 /nfs/dbraw/zinc/83/29/16/563832916.db2.gz MAJFNNDHTSPDKA-UHFFFAOYSA-N 0 0 322.456 3.913 40 0 DHABRN CC[C@@H](C)Nc1nc(Nc2cc(C)ccc2C)cc(C2CC2)n1 ZINC000329007234 563832926 /nfs/dbraw/zinc/83/29/26/563832926.db2.gz LJMJDBASIAMTKW-CQSZACIVSA-N 0 0 310.445 3.769 40 0 DHABRN CC[C@H](C)Nc1nc(Nc2cc(C)cc(C)c2)cc(C2CC2)n1 ZINC000328963827 563832996 /nfs/dbraw/zinc/83/29/96/563832996.db2.gz BRSSEDMPBFUJJT-AWEZNQCLSA-N 0 0 310.445 3.769 40 0 DHABRN CC(C)Nc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)n1 ZINC000329052645 563833618 /nfs/dbraw/zinc/83/36/18/563833618.db2.gz VDIWHGBSIKNBQI-UHFFFAOYSA-N 0 0 320.799 3.554 40 0 DHABRN S=c1[nH]c(-c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000013534256 563839791 /nfs/dbraw/zinc/83/97/91/563839791.db2.gz UPBHWXOHJXJWOB-UHFFFAOYSA-N 0 0 304.378 3.771 40 0 DHABRN Fc1ccc(CSc2n[nH]c(C(F)(F)F)n2)c(Cl)c1 ZINC000216860854 563857145 /nfs/dbraw/zinc/85/71/45/563857145.db2.gz UCWFLEQDKDRCRS-UHFFFAOYSA-N 0 0 311.691 3.908 40 0 DHABRN CC(=O)O[C@H]1[C@@H](O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1 ZINC000035464636 563867664 /nfs/dbraw/zinc/86/76/64/563867664.db2.gz RRGRXDIGPVAQIW-FUMNGEBKSA-N 0 0 310.393 3.640 40 0 biogenic,in-vitro DHABRN COc1cccc(/C=C2\Sc3ccccc3NC2=O)c1OC ZINC000026894403 563872815 /nfs/dbraw/zinc/87/28/15/563872815.db2.gz IORRUNSEOPKGEV-GDNBJRDFSA-N 0 0 313.378 3.789 40 0 DHABRN COc1cc(-c2nc3cc(Cl)cnc3o2)cc(OC)c1OC ZINC000078407022 563884407 /nfs/dbraw/zinc/88/44/07/563884407.db2.gz PTPRITUKBTYHPR-UHFFFAOYSA-N 0 0 320.732 3.569 40 0 DHABRN CC(C)C(=O)Nc1cc(N2CCCC[C@@H]2C)c(N)cc1Cl ZINC000045891802 563888444 /nfs/dbraw/zinc/88/84/44/563888444.db2.gz LHLUNNDIKRDYAX-NSHDSACASA-N 0 0 309.841 3.896 40 0 DHABRN CC(C)OCCCNC(=O)CSCc1ccc(Cl)cc1 ZINC000006344978 563921478 /nfs/dbraw/zinc/92/14/78/563921478.db2.gz HLZGADWYLULFAC-UHFFFAOYSA-N 0 0 315.866 3.505 40 0 DHABRN CC[C@H](C)Nc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000228940823 563914612 /nfs/dbraw/zinc/91/46/12/563914612.db2.gz VZNDHXHUXGNLDR-ZETCQYMHSA-N 0 0 313.739 3.757 40 0 DHABRN CCOC(=O)c1ccc(Nc2cc(C)ccc2OC)c(N)c1 ZINC000225433858 563914689 /nfs/dbraw/zinc/91/46/89/563914689.db2.gz ZKBNEANSOJKWDU-UHFFFAOYSA-N 0 0 300.358 3.506 40 0 DHABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000007882135 563922112 /nfs/dbraw/zinc/92/21/12/563922112.db2.gz KFHMEAUNMXFCRG-DOTOQJQBSA-N 0 0 322.408 3.543 40 0 DHABRN CCCNC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000009974022 563922405 /nfs/dbraw/zinc/92/24/05/563922405.db2.gz BTJPYSFXXLVJOL-UHFFFAOYSA-N 0 0 313.397 3.804 40 0 DHABRN O=C1C[C@H](c2ccc(F)cc2)CC2=N[C@H]3CCCC[C@H]3NC=C12 ZINC000017032471 563922837 /nfs/dbraw/zinc/92/28/37/563922837.db2.gz RZOWRGHYBQRJHU-XYPHTWIQSA-N 0 0 312.388 3.512 40 0 DHABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000028580307 563922917 /nfs/dbraw/zinc/92/29/17/563922917.db2.gz WJLZXGHXSIZQRO-UHFFFAOYSA-N 0 0 303.427 3.514 40 0 DHABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000032585518 563922999 /nfs/dbraw/zinc/92/29/99/563922999.db2.gz OGLSAQVZGUUDMP-UHFFFAOYSA-N 0 0 319.426 3.811 40 0 DHABRN COc1ccc2nc(C)c(C(=O)NCCc3ccccc3)cc2c1 ZINC000045652472 563923072 /nfs/dbraw/zinc/92/30/72/563923072.db2.gz QSWHUSSRJVKCCB-UHFFFAOYSA-N 0 0 320.392 3.524 40 0 DHABRN Cc1cccc(C)c1N(Cc1cccc(Cl)c1)S(C)(=O)=O ZINC000033667002 563923096 /nfs/dbraw/zinc/92/30/96/563923096.db2.gz PRLSQBMLSPJQFU-UHFFFAOYSA-N 0 0 323.845 3.923 40 0 DHABRN COc1ccc(CN(C)C(=O)CCCOc2ccccc2)cc1 ZINC000044818694 563923153 /nfs/dbraw/zinc/92/31/53/563923153.db2.gz FKXJEDZDWREWOV-UHFFFAOYSA-N 0 0 313.397 3.513 40 0 DHABRN CC(=O)O[C@H]1[C@@H](O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1 ZINC000253388399 563924959 /nfs/dbraw/zinc/92/49/59/563924959.db2.gz RRGRXDIGPVAQIW-LWYYNNOASA-N 0 0 310.393 3.640 40 0 biogenic,in-vitro DHABRN CC(C)CC[NH2+][C@H](C)c1onc(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000096297101 563936240 /nfs/dbraw/zinc/93/62/40/563936240.db2.gz YYENCQODAHCBRZ-LLVKDONJSA-N 0 0 320.364 3.876 40 0 biogenic,in-vitro DHABRN CC(C)(C)CN1CCOC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000096296199 563936242 /nfs/dbraw/zinc/93/62/42/563936242.db2.gz JSKZCKLZWFUNER-INIZCTEOSA-N 0 0 317.408 3.635 40 0 biogenic,in-vitro DHABRN CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccc1 ZINC000030882603 563943937 /nfs/dbraw/zinc/94/39/37/563943937.db2.gz MOVKPIVXPBEHQE-FHWLQOOXSA-N 0 0 315.457 3.540 40 0 biogenic,in-vitro DHABRN CC(C)(C)OC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000168923920 563952226 /nfs/dbraw/zinc/95/22/26/563952226.db2.gz LFSNVJDYBBIPHH-GFCCVEGCSA-N 0 0 312.207 3.961 40 0 DHABRN CC(C)(C)Nc1nc(NCc2ccccc2)cc(C(F)(F)F)n1 ZINC000329045934 563959685 /nfs/dbraw/zinc/95/96/85/563959685.db2.gz TXPBOSYIJUOFGF-UHFFFAOYSA-N 0 0 324.350 4.318 40 0 DHABRN Cc1cc(F)ccc1Nc1cc(C2CC2)nc(NC(C)C)n1 ZINC000329064651 563959930 /nfs/dbraw/zinc/95/99/30/563959930.db2.gz XKQXAHXBAMGKMA-UHFFFAOYSA-N 0 0 300.381 4.365 40 0 DHABRN Oc1cccc(Nc2cc(Cl)nc(-c3cccc(F)c3)n2)c1 ZINC000329058495 563960143 /nfs/dbraw/zinc/96/01/43/563960143.db2.gz WDFHZRKPQPMLKP-UHFFFAOYSA-N 0 0 315.735 4.385 40 0 DHABRN Oc1ccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)cc1 ZINC000329071325 563960183 /nfs/dbraw/zinc/96/01/83/563960183.db2.gz ZOQIPDVXSOPMKR-UHFFFAOYSA-N 0 0 324.428 4.548 40 0 DHABRN CSc1nc(N)c(C(=O)Nc2ccc3ccccc3c2)s1 ZINC000001566688 568412216 /nfs/dbraw/zinc/41/22/16/568412216.db2.gz REQFBFNWKHVVFV-UHFFFAOYSA-N 0 0 315.423 3.853 40 0 DHABRN COc1cccc(CCCNC(=O)CCc2ccc(C)cc2)c1 ZINC000066435539 568413410 /nfs/dbraw/zinc/41/34/10/568413410.db2.gz CXRCDFVPHNSDGZ-UHFFFAOYSA-N 0 0 311.425 3.685 40 0 DHABRN O=C(N1CCC[C@H](c2nccs2)C1)C1(c2ccccc2)CC1 ZINC000171647347 568414501 /nfs/dbraw/zinc/41/45/01/568414501.db2.gz APDXTHUVGRJFGC-AWEZNQCLSA-N 0 0 312.438 3.581 40 0 DHABRN CCc1cccc(C)c1NC(=S)NC(=O)c1cccc(C)c1 ZINC000014001471 568414723 /nfs/dbraw/zinc/41/47/23/568414723.db2.gz GJTHIACVPYMQCG-UHFFFAOYSA-N 0 0 312.438 3.993 40 0 DHABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 ZINC000096685787 568415025 /nfs/dbraw/zinc/41/50/25/568415025.db2.gz STGVEHPUFOEULU-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN NC(=O)/C=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000361634181 1018734301 /nfs/dbraw/zinc/73/43/01/1018734301.db2.gz FWPKTEWTEDWBAM-QXMHVHEDSA-N 0 0 303.361 3.917 40 0 DHABRN C[C@@H]1C[C@@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)CC(C)(C)C1 ZINC000255189405 1019337018 /nfs/dbraw/zinc/33/70/18/1019337018.db2.gz PQDWJCQALFHMLQ-HTQZYQBOSA-N 0 0 304.221 3.661 40 0 DHABRN COC(=O)c1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 ZINC000065695359 1019769409 /nfs/dbraw/zinc/76/94/09/1019769409.db2.gz DVLCLSWAKCANAG-UHFFFAOYSA-N 0 0 318.373 3.730 40 0 DHABRN CC[C@H](NC(=O)c1ccccc1OC)c1ccc(OC)c(C)c1 ZINC000223306851 1024593214 /nfs/dbraw/zinc/59/32/14/1024593214.db2.gz KLHJCAWOKMMKFQ-INIZCTEOSA-N 0 0 313.397 3.893 40 0 DHABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(F)c(Cl)c2)cc1 ZINC000224689925 1024648344 /nfs/dbraw/zinc/64/83/44/1024648344.db2.gz XTFRJRNZBZYJRS-UHFFFAOYSA-N 0 0 313.781 3.613 40 0 DHABRN C[Si](C)(C)C(F)(F)C(F)(F)S(=O)(=O)c1ccccc1 ZINC000231493353 1031538291 /nfs/dbraw/zinc/53/82/91/1031538291.db2.gz MQZIKRGVDVGNSG-UHFFFAOYSA-N 0 0 314.376 3.566 40 0 DHABRN C[C@@H]1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CC/C(=C\CO)CO ZINC000031157445 1035128457 /nfs/dbraw/zinc/12/84/57/1035128457.db2.gz NNDLUXBYTPAACV-OYJUXVGMSA-N 0 0 324.505 3.671 40 0 biogenic,in-vitro DHABRN Cc1ccc(N2N[C@@](C)(CCc3ccccc3)NC2=S)cc1 ZINC000225349056 201696584 /nfs/dbraw/zinc/69/65/84/201696584.db2.gz QGEJVMMBHNPWSV-SFHVURJKSA-N 0 0 311.454 3.543 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H]2Nc3ccc(Cl)cc3[C@H]2C1 ZINC000095635395 185382860 /nfs/dbraw/zinc/38/28/60/185382860.db2.gz NUSSODRBWFEQDM-TZMCWYRMSA-N 0 0 308.809 3.859 40 0 DHABRN CCOC(=O)CCCCOc1ccc(Br)c(F)c1 ZINC000095738530 185383845 /nfs/dbraw/zinc/38/38/45/185383845.db2.gz NJONHLJFHGRSMU-UHFFFAOYSA-N 0 0 319.170 3.700 40 0 DHABRN COC(=O)c1cccc(NC(=O)CCc2ccc(C)c(C)c2)c1 ZINC000096621759 185384611 /nfs/dbraw/zinc/38/46/11/185384611.db2.gz FULAGDGVLZUVHL-UHFFFAOYSA-N 0 0 311.381 3.661 40 0 DHABRN COc1ccc(C(=O)NCCCc2cccc(C)c2)cc1F ZINC000096726972 185385736 /nfs/dbraw/zinc/38/57/36/185385736.db2.gz YOHLVEZFARYBLY-UHFFFAOYSA-N 0 0 301.361 3.505 40 0 DHABRN Cc1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 ZINC000082336935 185176324 /nfs/dbraw/zinc/17/63/24/185176324.db2.gz GKJHZNFASXUEFC-UHFFFAOYSA-N 0 0 315.682 3.710 40 0 DHABRN CCOc1cccc(CNC(=S)Nc2c(F)cccc2F)c1 ZINC000225439596 201708824 /nfs/dbraw/zinc/70/88/24/201708824.db2.gz YDNONTWTJVLMKE-UHFFFAOYSA-N 0 0 322.380 3.850 40 0 DHABRN COC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC(=O)CC1 ZINC000090513052 185300102 /nfs/dbraw/zinc/30/01/02/185300102.db2.gz CCJGDVJEDVTSDN-UHFFFAOYSA-N 0 0 301.169 3.547 40 0 DHABRN O=Cc1c(Br)ccc(OCc2ccccc2)c1F ZINC000090411237 185294774 /nfs/dbraw/zinc/29/47/74/185294774.db2.gz GRIVHAIKQQBTIY-UHFFFAOYSA-N 0 0 309.134 3.980 40 0 DHABRN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000006852941 190625047 /nfs/dbraw/zinc/62/50/47/190625047.db2.gz CQOSJBKEMYGNBZ-ABAIWWIYSA-N 0 0 304.777 3.584 40 0 DHABRN C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H](O)c1ccccc1 ZINC000006852949 190625375 /nfs/dbraw/zinc/62/53/75/190625375.db2.gz MMHHGWQXSWYUEY-ABAIWWIYSA-N 0 0 323.314 3.557 40 0 DHABRN CCO[C@](C)(CC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 ZINC000225816094 201752249 /nfs/dbraw/zinc/75/22/49/201752249.db2.gz KMCNUIZGXJFOQV-CQSZACIVSA-N 0 0 319.323 3.858 40 0 DHABRN Cc1ccnc(NC(=S)NC2(c3ccncc3)CCCC2)c1 ZINC000225873520 201757402 /nfs/dbraw/zinc/75/74/02/201757402.db2.gz IRAHYKPMKQLJON-UHFFFAOYSA-N 0 0 312.442 3.541 40 0 DHABRN CCc1ccc(CC(=O)NCCSC2CCCCC2)cc1 ZINC000225882592 201758322 /nfs/dbraw/zinc/75/83/22/201758322.db2.gz XVMLJMXKTCNBMO-UHFFFAOYSA-N 0 0 305.487 3.974 40 0 DHABRN CCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCC)c(C)c1 ZINC000225896777 201760256 /nfs/dbraw/zinc/76/02/56/201760256.db2.gz XREGMOINNFJYPE-QGZVFWFLSA-N 0 0 308.422 3.713 40 0 DHABRN COc1cccc(OC)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000225993761 201764870 /nfs/dbraw/zinc/76/48/70/201764870.db2.gz GFUXUEGOZJTOBK-AWEZNQCLSA-N 0 0 313.397 3.514 40 0 DHABRN COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000225587403 186280653 /nfs/dbraw/zinc/28/06/53/186280653.db2.gz YXOGCYHUOIMDMO-OAHLLOKOSA-N 0 0 313.397 3.509 40 0 DHABRN COc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1C ZINC000225598457 186281607 /nfs/dbraw/zinc/28/16/07/186281607.db2.gz RXZZEHRCVLBPFA-UHFFFAOYSA-N 0 0 317.816 3.858 40 0 DHABRN COc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1C ZINC000225604634 186281964 /nfs/dbraw/zinc/28/19/64/186281964.db2.gz WPTSFVOWIFBFAT-SFHVURJKSA-N 0 0 309.409 3.740 40 0 DHABRN 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COc1ccccc1[C@H](C)NC(=O)COc1ccccc1Cl ZINC000015472234 182004108 /nfs/dbraw/zinc/00/41/08/182004108.db2.gz ISXSBBREACJRDJ-LBPRGKRZSA-N 0 0 319.788 3.605 40 0 DHABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000015388869 182000155 /nfs/dbraw/zinc/00/01/55/182000155.db2.gz ILXWXBAHLYRKTR-CYBMUJFWSA-N 0 0 301.361 3.644 40 0 DHABRN CC(C)c1nnc(SCCCOc2ccc(C=O)cc2)o1 ZINC000015418586 182001088 /nfs/dbraw/zinc/00/10/88/182001088.db2.gz RTTKGWHMSABCFD-UHFFFAOYSA-N 0 0 306.387 3.567 40 0 DHABRN COc1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000015693743 182013119 /nfs/dbraw/zinc/01/31/19/182013119.db2.gz PPNBQQYOTQHROD-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN COC(=O)c1cc(-c2cccs2)nc2onc(C(C)C)c21 ZINC000016778809 182060949 /nfs/dbraw/zinc/06/09/49/182060949.db2.gz LRJBBVYLJCTLAR-UHFFFAOYSA-N 0 0 302.355 3.861 40 0 DHABRN CN(CCNC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000016724214 182058942 /nfs/dbraw/zinc/05/89/42/182058942.db2.gz KLMVQUUJWQWXIU-FMIVXFBMSA-N 0 0 314.816 3.606 40 0 DHABRN CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)cc2)cc1 ZINC000018131745 182094387 /nfs/dbraw/zinc/09/43/87/182094387.db2.gz DIXBJKCUAOVPGY-GOSISDBHSA-N 0 0 313.397 3.975 40 0 DHABRN COc1cccc(CNC(=S)Nc2cccc(Cl)c2)c1 ZINC000018141453 182094617 /nfs/dbraw/zinc/09/46/17/182094617.db2.gz WSXIURNOOXNRDP-UHFFFAOYSA-N 0 0 306.818 3.835 40 0 DHABRN CN(CCCNC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000018177979 182097182 /nfs/dbraw/zinc/09/71/82/182097182.db2.gz DTYDDIXPNYPFEC-UHFFFAOYSA-N 0 0 317.820 3.988 40 0 DHABRN O=C(Cc1ccccc1Cl)NCCSc1ccccc1 ZINC000018214302 182098697 /nfs/dbraw/zinc/09/86/97/182098697.db2.gz RXCYOAIGVLIKQA-UHFFFAOYSA-N 0 0 305.830 3.791 40 0 DHABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)s2)c1 ZINC000018204378 182098700 /nfs/dbraw/zinc/09/87/00/182098700.db2.gz NRUGTQACRGGWMG-LLVKDONJSA-N 0 0 305.399 3.565 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCc2ccccc2C1=O ZINC000019083204 182104359 /nfs/dbraw/zinc/10/43/59/182104359.db2.gz YOSCDMNSILJRMJ-JKSUJKDBSA-N 0 0 315.413 3.831 40 0 DHABRN CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000020022235 182179951 /nfs/dbraw/zinc/17/99/51/182179951.db2.gz REFUVYSZWDMGRD-UHFFFAOYSA-N 0 0 304.777 3.502 40 0 DHABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccco1 ZINC000020045774 182183596 /nfs/dbraw/zinc/18/35/96/182183596.db2.gz KMCQSWCQYZJBDN-SFHVURJKSA-N 0 0 309.365 3.907 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000020048644 182183631 /nfs/dbraw/zinc/18/36/31/182183631.db2.gz CIKVHDWPRMOSBV-PXAZEXFGSA-N 0 0 319.351 4.000 40 0 DHABRN CC[C@@H](NS(=O)(=O)Cc1cccc(C)c1)c1ccc(C)cc1 ZINC000020048525 182183961 /nfs/dbraw/zinc/18/39/61/182183961.db2.gz UWNSHXRCERTXAV-GOSISDBHSA-N 0 0 317.454 3.874 40 0 DHABRN CC[C@@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccccc1 ZINC000020108416 182187855 /nfs/dbraw/zinc/18/78/55/182187855.db2.gz KBUVABJKEAUHPS-MRXNPFEDSA-N 0 0 321.467 3.838 40 0 DHABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)C(F)(F)F ZINC000020137027 182191169 /nfs/dbraw/zinc/19/11/69/182191169.db2.gz CAKJUTMFPGGGOF-UHFFFAOYSA-N 0 0 319.666 3.593 40 0 DHABRN O=C(/C=C/c1ccco1)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020145247 182191437 /nfs/dbraw/zinc/19/14/37/182191437.db2.gz HTMGJRHNBBRJNN-CSKARUKUSA-N 0 0 309.321 3.684 40 0 DHABRN O=C(/C=C/c1ccco1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020145235 182191789 /nfs/dbraw/zinc/19/17/89/182191789.db2.gz LGVUYVKSXZWDNY-VQHVLOKHSA-N 0 0 309.321 3.684 40 0 DHABRN Nc1ccc(NC(=O)COc2ccccc2Cl)c(Cl)c1 ZINC000020344512 182209940 /nfs/dbraw/zinc/20/99/40/182209940.db2.gz BDWGQRQSWVZVDS-UHFFFAOYSA-N 0 0 311.168 3.593 40 0 DHABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000020481829 182222525 /nfs/dbraw/zinc/22/25/25/182222525.db2.gz NNARCPAPQOINOK-CYBMUJFWSA-N 0 0 321.467 3.756 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)cc1F ZINC000020482801 182223165 /nfs/dbraw/zinc/22/31/65/182223165.db2.gz ALOOFSDQFVMUIE-INIZCTEOSA-N 0 0 321.323 3.770 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1c(F)cccc1F ZINC000020459183 182220042 /nfs/dbraw/zinc/22/00/42/182220042.db2.gz BGEYOINTAYYYRQ-HNNXBMFYSA-N 0 0 321.323 3.770 40 0 DHABRN CCOc1cccc(CNC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000020457430 182220145 /nfs/dbraw/zinc/22/01/45/182220145.db2.gz SLGNYPBFVZSHDF-AWEZNQCLSA-N 0 0 315.438 3.882 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000020462225 182221054 /nfs/dbraw/zinc/22/10/54/182221054.db2.gz JHJYSWTZHCIYGY-LLVKDONJSA-N 0 0 305.324 3.933 40 0 DHABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1N ZINC000020559823 182232160 /nfs/dbraw/zinc/23/21/60/182232160.db2.gz RWHQSNLQOJCWLG-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000020493318 182224263 /nfs/dbraw/zinc/22/42/63/182224263.db2.gz FHYDFSRIUPVRMV-CYBMUJFWSA-N 0 0 303.402 3.764 40 0 DHABRN O=C1C[C@H](c2ccccc2)c2cc(Br)ccc2N1 ZINC000022053144 182307069 /nfs/dbraw/zinc/30/70/69/182307069.db2.gz NGZWCCIWYKYWDL-GFCCVEGCSA-N 0 0 302.171 3.923 40 0 in-vitro DHABRN COc1ccc(CCC(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000022367558 182319592 /nfs/dbraw/zinc/31/95/92/182319592.db2.gz SWHWJKHLRKABBH-CQSZACIVSA-N 0 0 313.397 3.514 40 0 DHABRN CCc1cccc(C)c1NC(=O)c1cn(C)c2ccccc2c1=O ZINC000022234130 182313949 /nfs/dbraw/zinc/31/39/49/182313949.db2.gz IYILCJGCDUPNKQ-UHFFFAOYSA-N 0 0 320.392 3.662 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(F)cccc1F ZINC000022513971 182324114 /nfs/dbraw/zinc/32/41/14/182324114.db2.gz NNESFLGSTFCVKL-AWEZNQCLSA-N 0 0 309.287 3.900 40 0 DHABRN COc1ccccc1CN(C)C(=O)Cc1ccc(Cl)cc1 ZINC000022528773 182324773 /nfs/dbraw/zinc/32/47/73/182324773.db2.gz ORBDEEULIUNYIW-UHFFFAOYSA-N 0 0 303.789 3.550 40 0 DHABRN COc1ccc(OC)c([C@H](C)NC(=O)c2sccc2C)c1 ZINC000023099580 182346563 /nfs/dbraw/zinc/34/65/63/182346563.db2.gz PUJFFMUQAWPHGJ-NSHDSACASA-N 0 0 305.399 3.565 40 0 DHABRN CCCCNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000023746189 182367233 /nfs/dbraw/zinc/36/72/33/182367233.db2.gz REIIBEVHNQDDER-UHFFFAOYSA-N 0 0 315.417 3.709 40 0 DHABRN CN(CCCNC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000023427907 182361056 /nfs/dbraw/zinc/36/10/56/182361056.db2.gz GTGXGZBXGGMJIF-UHFFFAOYSA-N 0 0 316.832 3.525 40 0 DHABRN CCc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000024690002 182387920 /nfs/dbraw/zinc/38/79/20/182387920.db2.gz SXHHYYGSSOJFIY-UHFFFAOYSA-N 0 0 311.381 3.592 40 0 DHABRN O=Cc1ccccc1OCc1nc(-c2cccc(Cl)c2)no1 ZINC000025242805 182405084 /nfs/dbraw/zinc/40/50/84/182405084.db2.gz WISBZCBEYCZJCQ-UHFFFAOYSA-N 0 0 314.728 3.782 40 0 DHABRN CC(=O)c1c(=O)cc(C)oc1Nc1ccc(C(F)(F)F)cc1 ZINC000027300353 182467914 /nfs/dbraw/zinc/46/79/14/182467914.db2.gz ZXVZLNMMRKBEGO-UHFFFAOYSA-N 0 0 311.259 3.913 40 0 DHABRN Nc1ccc(Cl)cc1C(=O)c1cccc(Br)c1 ZINC000028166921 182510507 /nfs/dbraw/zinc/51/05/07/182510507.db2.gz SVKPERNKLIVCSJ-UHFFFAOYSA-N 0 0 310.578 3.916 40 0 DHABRN CCc1ccc(N2C(=O)C[C@@H](Nc3ccccc3CC)C2=O)cc1 ZINC000101275776 193810494 /nfs/dbraw/zinc/81/04/94/193810494.db2.gz BPAXIRZDNDJAGH-GOSISDBHSA-N 0 0 322.408 3.555 40 0 DHABRN C[C@@H]1[C@H]2CC[C@@H]([C@@H]1OC[C@H](O)CSc1ccccn1)C2(C)C ZINC000036597090 182827721 /nfs/dbraw/zinc/82/77/21/182827721.db2.gz TWDXDPVWDPRXGY-LBKYZSNHSA-N 0 0 321.486 3.622 40 0 DHABRN COc1ccc(Br)c(C=O)c1OCc1ccccc1 ZINC000039131123 183014111 /nfs/dbraw/zinc/01/41/11/183014111.db2.gz BONZUBOOGNLLPJ-UHFFFAOYSA-N 0 0 321.170 3.849 40 0 DHABRN COC(=O)c1cc(Br)ccc1NCc1ccccc1 ZINC000039951700 183022995 /nfs/dbraw/zinc/02/29/95/183022995.db2.gz CDUZFDBBVFOGDR-UHFFFAOYSA-N 0 0 320.186 3.848 40 0 DHABRN CCOC(=O)c1ccc(C(C)C)c(I)c1 ZINC000039951765 183023646 /nfs/dbraw/zinc/02/36/46/183023646.db2.gz BFJVARACMISZLG-UHFFFAOYSA-N 0 0 318.154 3.591 40 0 DHABRN COc1ccc([C@H](O)c2cccc(Br)c2)c(OC)c1 ZINC000040248065 183049305 /nfs/dbraw/zinc/04/93/05/183049305.db2.gz BKPQEPUVXRDKJO-OAHLLOKOSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc([C@H](O)c2ccccc2Br)cc1F ZINC000040263027 183049337 /nfs/dbraw/zinc/04/93/37/183049337.db2.gz ARKACYJHKWZIPZ-AWEZNQCLSA-N 0 0 311.150 3.679 40 0 DHABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000040295150 183051897 /nfs/dbraw/zinc/05/18/97/183051897.db2.gz UIMKVYLWJAVFAE-RKDXNWHRSA-N 0 0 301.217 3.979 40 0 DHABRN Cc1ccc(C)c(NC(=O)c2ccc(Br)c(N)c2)c1 ZINC000040293164 183051951 /nfs/dbraw/zinc/05/19/51/183051951.db2.gz BPDDCHRMXMBOAE-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN CCN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1 ZINC000040293397 183052347 /nfs/dbraw/zinc/05/23/47/183052347.db2.gz TXGWACZIZOUMBM-UHFFFAOYSA-N 0 0 319.202 3.698 40 0 DHABRN CN(C)c1ccc(N)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000040301880 183052977 /nfs/dbraw/zinc/05/29/77/183052977.db2.gz MWDDWWHFRMBGIM-UHFFFAOYSA-N 0 0 324.211 3.894 40 0 DHABRN CN(C)C(=S)c1ccc(-c2ccc(Br)cc2)o1 ZINC000040542473 183098736 /nfs/dbraw/zinc/09/87/36/183098736.db2.gz HYULKHXLUWWZEV-UHFFFAOYSA-N 0 0 310.216 3.946 40 0 DHABRN CCOc1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000041008006 183156036 /nfs/dbraw/zinc/15/60/36/183156036.db2.gz BUCWXRATNFNLNK-UHFFFAOYSA-N 0 0 315.438 3.749 40 0 DHABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1C ZINC000041091206 183163862 /nfs/dbraw/zinc/16/38/62/183163862.db2.gz MBUKEASFLOPDCV-UHFFFAOYSA-N 0 0 313.781 3.897 40 0 DHABRN Cc1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000041813607 183221358 /nfs/dbraw/zinc/22/13/58/183221358.db2.gz NWJOMLSJAHGFBC-QGZVFWFLSA-N 0 0 323.436 3.921 40 0 DHABRN CCOc1cccc(CNC(=S)Nc2ccccc2F)c1 ZINC000044155679 183396736 /nfs/dbraw/zinc/39/67/36/183396736.db2.gz YYWUIEPUGPSZDU-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000044900138 183452298 /nfs/dbraw/zinc/45/22/98/183452298.db2.gz MXQSAZQROWRFQG-INIZCTEOSA-N 0 0 303.333 3.630 40 0 DHABRN COc1ccccc1NC(=O)NCc1ccc(OC(C)C)cc1 ZINC000045311505 183496425 /nfs/dbraw/zinc/49/64/25/183496425.db2.gz YFLWRCPUSFGVPF-UHFFFAOYSA-N 0 0 314.385 3.804 40 0 DHABRN COc1cccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 ZINC000047346387 183588211 /nfs/dbraw/zinc/58/82/11/183588211.db2.gz VSUCBXMDXXNLCE-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN Cc1nc(Cl)cc(NCc2ccccc2Br)n1 ZINC000052836467 183875821 /nfs/dbraw/zinc/87/58/21/183875821.db2.gz NVGNSHXWFHZZDU-UHFFFAOYSA-N 0 0 312.598 3.813 40 0 DHABRN C[C@@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)CCC2 ZINC000053387934 183900988 /nfs/dbraw/zinc/90/09/88/183900988.db2.gz CBWLUNXWZWBIQU-CYBMUJFWSA-N 0 0 313.372 3.571 40 0 DHABRN CC(C)c1ccccc1OCCNC(=O)Cc1cccs1 ZINC000110509202 194335930 /nfs/dbraw/zinc/33/59/30/194335930.db2.gz JEJWCUZDHXLEER-UHFFFAOYSA-N 0 0 303.427 3.609 40 0 DHABRN CCOC(=O)c1cc(C(C)(C)C)cc(Br)c1OC ZINC000057339292 184033687 /nfs/dbraw/zinc/03/36/87/184033687.db2.gz MAPOMJAWYHRQCY-UHFFFAOYSA-N 0 0 315.207 3.932 40 0 DHABRN CCOc1cccc(CNC(=O)CCc2ccccc2Cl)c1 ZINC000057670192 184045959 /nfs/dbraw/zinc/04/59/59/184045959.db2.gz LTIYECWEPCJYOW-UHFFFAOYSA-N 0 0 317.816 3.988 40 0 DHABRN CCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1Cl ZINC000057340320 184033940 /nfs/dbraw/zinc/03/39/40/184033940.db2.gz CNBFKXGWXLQIMS-UHFFFAOYSA-N 0 0 320.776 3.582 40 0 DHABRN Cc1ccc(NC(=S)NCCCOC2CCCC2)c(C)c1 ZINC000057815706 184055388 /nfs/dbraw/zinc/05/53/88/184055388.db2.gz ZYMTUORHSRHVIS-UHFFFAOYSA-N 0 0 306.475 3.939 40 0 DHABRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1C ZINC000059351405 184137427 /nfs/dbraw/zinc/13/74/27/184137427.db2.gz QYUVYUOIISYBPH-PPYMECGQSA-N 0 0 323.392 3.923 40 0 DHABRN Cc1ccccc1COc1ccc(CO)cc1Br ZINC000062703417 184248298 /nfs/dbraw/zinc/24/82/98/184248298.db2.gz SZJHQSJXQYPWDQ-UHFFFAOYSA-N 0 0 307.187 3.829 40 0 DHABRN Fc1ccc(-c2nn3c(nnc3-c3ccsc3)s2)cc1 ZINC000066087733 184387934 /nfs/dbraw/zinc/38/79/34/184387934.db2.gz VZFPWFLYUWHQNX-UHFFFAOYSA-N 0 0 302.359 3.720 40 0 DHABRN Cc1ccc(CCC(=O)N[C@H](C)COc2ccccc2C)cc1 ZINC000065721183 184377434 /nfs/dbraw/zinc/37/74/34/184377434.db2.gz PMCRIRBCDLDJKU-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN CC(=O)c1cccc2cc([C@@H]3CN(C(C)(C)C)C(=O)O3)oc21 ZINC000065733969 184377897 /nfs/dbraw/zinc/37/78/97/184377897.db2.gz GKIAZVRWKQSNAD-AWEZNQCLSA-N 0 0 301.342 3.927 40 0 in-vitro DHABRN O=C(COc1ccc2c(c1)CCCC2)Nc1c(F)cccc1F ZINC000158111879 197244363 /nfs/dbraw/zinc/24/43/63/197244363.db2.gz PKKQLZHIZZTXCL-UHFFFAOYSA-N 0 0 317.335 3.861 40 0 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40 0 DHABRN CSc1ccccc1C(=O)NCCOc1ccc(C)cc1C ZINC000009888448 181646124 /nfs/dbraw/zinc/64/61/24/181646124.db2.gz IKPJJISVYGYSJF-UHFFFAOYSA-N 0 0 315.438 3.834 40 0 DHABRN CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1C ZINC000013582341 181864942 /nfs/dbraw/zinc/86/49/42/181864942.db2.gz QMWIKGCALWKPAV-UHFFFAOYSA-N 0 0 315.369 3.663 40 0 DHABRN S=C(NCc1ccccc1Cl)Nc1ccc2c(c1)OCO2 ZINC000013817188 181901123 /nfs/dbraw/zinc/90/11/23/181901123.db2.gz CKRMARFFXBSGNI-UHFFFAOYSA-N 0 0 320.801 3.555 40 0 DHABRN CC[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000013931560 181910379 /nfs/dbraw/zinc/91/03/79/181910379.db2.gz IIXPBYRXQZGRNE-CQSZACIVSA-N 0 0 314.410 3.853 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)CSc1ccc(C)cc1 ZINC000015402810 182000389 /nfs/dbraw/zinc/00/03/89/182000389.db2.gz ODZZOKDYEVRLJP-CQSZACIVSA-N 0 0 315.438 3.973 40 0 DHABRN CSc1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000016248738 182038388 /nfs/dbraw/zinc/03/83/88/182038388.db2.gz GBVOWXPFFLDYLX-PTNGSMBKSA-N 0 0 310.378 3.506 40 0 DHABRN CCCCOc1ccc(-c2nc(O)c(CCCC)c(=O)o2)cc1 ZINC000016639515 182054905 /nfs/dbraw/zinc/05/49/05/182054905.db2.gz SGONVKIYWMSNQV-UHFFFAOYSA-N 0 0 317.385 3.929 40 0 DHABRN CCCCCCNC(=S)NCCc1c[nH]c2ccccc12 ZINC000016638098 182054675 /nfs/dbraw/zinc/05/46/75/182054675.db2.gz XTMLHKZXDQOLBL-UHFFFAOYSA-N 0 0 303.475 3.755 40 0 DHABRN O[C@@H](CNc1ccccn1)COc1ccc(-c2ccccc2)cc1 ZINC000016780237 182060591 /nfs/dbraw/zinc/06/05/91/182060591.db2.gz OIQNAQQMADINQQ-SFHVURJKSA-N 0 0 320.392 3.600 40 0 DHABRN CCOC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 ZINC000016755326 182060274 /nfs/dbraw/zinc/06/02/74/182060274.db2.gz OECIYMYHFPWBJA-UHFFFAOYSA-N 0 0 302.399 3.562 40 0 DHABRN Fc1ccc2[nH]cc(CCNC(=S)Nc3ccccc3)c2c1 ZINC000017052462 182070415 /nfs/dbraw/zinc/07/04/15/182070415.db2.gz WOLTYZLXJAUMIZ-UHFFFAOYSA-N 0 0 313.401 3.836 40 0 DHABRN CCc1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000017024807 182068208 /nfs/dbraw/zinc/06/82/08/182068208.db2.gz VGWUPSXJVDFTIE-RAXLEYEMSA-N 0 0 310.422 3.775 40 0 DHABRN Oc1ccc(CCNC(=S)Nc2ccccc2Cl)cc1 ZINC000017031444 182069395 /nfs/dbraw/zinc/06/93/95/182069395.db2.gz QEKCROKTOPECJN-UHFFFAOYSA-N 0 0 306.818 3.575 40 0 DHABRN Cc1ccc(SCCNC(=O)Cc2ccccc2F)cc1 ZINC000017341185 182084126 /nfs/dbraw/zinc/08/41/26/182084126.db2.gz HDMMRMVLNXXIDO-UHFFFAOYSA-N 0 0 303.402 3.585 40 0 DHABRN CN(CCCNC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000017826758 182085951 /nfs/dbraw/zinc/08/59/51/182085951.db2.gz KQGUGRVOVBXAMW-UHFFFAOYSA-N 0 0 302.805 3.596 40 0 DHABRN Cc1ccccc1[C@@H](C)NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000018085557 182092811 /nfs/dbraw/zinc/09/28/11/182092811.db2.gz KKVGFKOJBLIYMZ-OAHLLOKOSA-N 0 0 322.408 3.613 40 0 DHABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(C2=NCCO2)cc1 ZINC000019074357 182103764 /nfs/dbraw/zinc/10/37/64/182103764.db2.gz GAHIAPCEPGTZMC-UHFFFAOYSA-N 0 0 315.760 3.761 40 0 DHABRN O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000019014970 182103467 /nfs/dbraw/zinc/10/34/67/182103467.db2.gz QWBJXVOZILQYSW-FRRDWIJNSA-N 0 0 302.443 3.953 40 0 DHABRN O=C(C1[C@@H]2CCCC[C@H]12)N1CCC(Oc2cccc(F)c2)CC1 ZINC000019294215 182113776 /nfs/dbraw/zinc/11/37/76/182113776.db2.gz CXAULPJWYKPJTL-JWTNVVGKSA-N 0 0 317.404 3.632 40 0 DHABRN C[C@@H](C(=O)Nc1ccc(-c2cccc(F)c2)cc1)n1ccnc1 ZINC000019080613 182103880 /nfs/dbraw/zinc/10/38/80/182103880.db2.gz MTNDUAPVKGLKJK-ZDUSSCGKSA-N 0 0 309.344 3.889 40 0 DHABRN CC(C)(C)CC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019082636 182104565 /nfs/dbraw/zinc/10/45/65/182104565.db2.gz QDBYFPDDQBFMKO-OAHLLOKOSA-N 0 0 312.417 3.571 40 0 DHABRN O=C1Oc2nc3ccccc3cc2CN1CCc1ccccc1 ZINC000019371355 182120200 /nfs/dbraw/zinc/12/02/00/182120200.db2.gz AASXUOFIKWBAIQ-UHFFFAOYSA-N 0 0 304.349 3.792 40 0 DHABRN Cc1cc(Br)ccc1NC(=O)c1cccc(N)c1C ZINC000019397690 182122037 /nfs/dbraw/zinc/12/20/37/182122037.db2.gz ZPMSXLBBCPQUMF-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN O=C(Nc1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000019505969 182126708 /nfs/dbraw/zinc/12/67/08/182126708.db2.gz UUTGAXBRYNMOSB-UHFFFAOYSA-N 0 0 312.113 3.980 40 0 DHABRN COCCCNc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000019593328 182132762 /nfs/dbraw/zinc/13/27/62/182132762.db2.gz UPBRLQQWZFOAHU-UHFFFAOYSA-N 0 0 320.396 3.654 40 0 DHABRN CCSc1nc2nc(-c3ccco3)cc(-c3ccncc3)n2n1 ZINC000019960930 182171044 /nfs/dbraw/zinc/17/10/44/182171044.db2.gz MHSMCLDRBPFFJI-UHFFFAOYSA-N 0 0 323.381 3.558 40 0 DHABRN FC(F)(F)c1nc2nc(-c3ccco3)cc(-c3ccco3)n2n1 ZINC000019960914 182171047 /nfs/dbraw/zinc/17/10/47/182171047.db2.gz OBBLUWQSYLOYMP-UHFFFAOYSA-N 0 0 320.230 3.663 40 0 DHABRN O=C(Cc1ccc(F)cc1)NCCSc1ccc(Cl)cc1 ZINC000020014174 182178537 /nfs/dbraw/zinc/17/85/37/182178537.db2.gz YFJTZZZVXYIWAF-UHFFFAOYSA-N 0 0 323.820 3.930 40 0 DHABRN COc1ccc([C@H](C)NC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000020029697 182181500 /nfs/dbraw/zinc/18/15/00/182181500.db2.gz RAULGDFNRPTPMX-VIFPVBQESA-N 0 0 309.287 3.604 40 0 DHABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(F)cc1 ZINC000020035479 182181951 /nfs/dbraw/zinc/18/19/51/182181951.db2.gz NKCDNZHLLSFOEU-KRWDZBQOSA-N 0 0 315.388 3.916 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000020041313 182183033 /nfs/dbraw/zinc/18/30/33/182183033.db2.gz KRODVNHFWJWRBD-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN CCCCCNC(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000020050513 182183700 /nfs/dbraw/zinc/18/37/00/182183700.db2.gz QAGBTUVDOXQCRE-UHFFFAOYSA-N 0 0 307.434 3.723 40 0 DHABRN Cc1ccc(CC(=O)NCCSCc2ccccc2C)cc1 ZINC000020111092 182187490 /nfs/dbraw/zinc/18/74/90/182187490.db2.gz ZQWSJSRWPVZVDP-UHFFFAOYSA-N 0 0 313.466 3.896 40 0 DHABRN COc1cc(NC(=O)CCC(C)C)ccc1-c1ccc(CO)o1 ZINC000020136801 182190641 /nfs/dbraw/zinc/19/06/41/182190641.db2.gz NLADPWMKEZLLIX-UHFFFAOYSA-N 0 0 317.385 3.822 40 0 DHABRN CC(C)(Br)C(=O)Nc1nc2c(cccc2F)s1 ZINC000020133266 182190644 /nfs/dbraw/zinc/19/06/44/182190644.db2.gz JTCCQDMKUXYIHX-UHFFFAOYSA-N 0 0 317.183 3.547 40 0 DHABRN COc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 ZINC000020141404 182191622 /nfs/dbraw/zinc/19/16/22/182191622.db2.gz CWCBFOUNUMBWIR-UHFFFAOYSA-N 0 0 323.348 3.700 40 0 DHABRN O=C1N[C@@H](c2ccc3c4c(cccc42)CC3)Nc2ccccc21 ZINC000020244064 182200447 /nfs/dbraw/zinc/20/04/47/182200447.db2.gz VTKSBEWQVOHRQK-IBGZPJMESA-N 0 0 300.361 3.793 40 0 DHABRN Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2N)c1C ZINC000020344430 182209684 /nfs/dbraw/zinc/20/96/84/182209684.db2.gz BKXKSHKZWCFKFV-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)c2ccccc2SC)cc1 ZINC000020491345 182223571 /nfs/dbraw/zinc/22/35/71/182223571.db2.gz ZQQIKQVSVMECPN-GFCCVEGCSA-N 0 0 301.411 3.908 40 0 DHABRN COc1ccc(SCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000020450442 182218560 /nfs/dbraw/zinc/21/85/60/182218560.db2.gz QRTFIFKONLVWBX-CQSZACIVSA-N 0 0 315.438 3.973 40 0 DHABRN Cc1ccc(C)c(CC(=O)NCc2cccc(OC(C)C)c2)c1 ZINC000020457833 182220266 /nfs/dbraw/zinc/22/02/66/182220266.db2.gz OJHTZZKTCGMPOL-UHFFFAOYSA-N 0 0 311.425 3.950 40 0 DHABRN CC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000020494626 182224243 /nfs/dbraw/zinc/22/42/43/182224243.db2.gz PSUBNQUFPHVFCU-MRXNPFEDSA-N 0 0 323.845 3.911 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000020494627 182224642 /nfs/dbraw/zinc/22/46/42/182224642.db2.gz PSUBNQUFPHVFCU-INIZCTEOSA-N 0 0 323.845 3.911 40 0 DHABRN COc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(N)c1 ZINC000021510837 182276239 /nfs/dbraw/zinc/27/62/39/182276239.db2.gz HBTQEUPOHVCUME-UHFFFAOYSA-N 0 0 322.817 3.662 40 0 DHABRN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1nc(-c2cccnc2)cs1 ZINC000022066314 182307572 /nfs/dbraw/zinc/30/75/72/182307572.db2.gz NILOXLYODCSATN-OUCADQQQSA-N 0 0 313.426 3.970 40 0 DHABRN CCOC(=O)N1CCN[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000022115382 182309092 /nfs/dbraw/zinc/30/90/92/182309092.db2.gz IHGUOBVQHSJQOW-MSOLQXFVSA-N 0 0 310.397 3.531 40 0 DHABRN CC[C@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C ZINC000022245657 182315305 /nfs/dbraw/zinc/31/53/05/182315305.db2.gz SFNCPVMKYHWBJY-VIFPVBQESA-N 0 0 307.394 3.863 40 0 DHABRN CCn1cc(C(=O)Nc2cc(F)ccc2C)c(=O)c2ccccc21 ZINC000022234588 182314480 /nfs/dbraw/zinc/31/44/80/182314480.db2.gz OMRVDQLLXLJXGW-UHFFFAOYSA-N 0 0 324.355 3.721 40 0 DHABRN CSc1cccc(NC(=O)c2cnc3ccccc3c2O)c1 ZINC000022233941 182314507 /nfs/dbraw/zinc/31/45/07/182314507.db2.gz NRCQRLXCPGKQKY-UHFFFAOYSA-N 0 0 310.378 3.502 40 0 DHABRN CCOc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1 ZINC000022480058 182323852 /nfs/dbraw/zinc/32/38/52/182323852.db2.gz IAISJMXDHAGXND-UHFFFAOYSA-N 0 0 313.397 3.511 40 0 DHABRN CN(C(=O)COc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000022513013 182324261 /nfs/dbraw/zinc/32/42/61/182324261.db2.gz YTNQZDROGUAISF-UHFFFAOYSA-N 0 0 302.201 3.773 40 0 DHABRN O=C(NC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000026329959 182437851 /nfs/dbraw/zinc/43/78/51/182437851.db2.gz NYEFIBNYAUYJKF-UHFFFAOYSA-N 0 0 324.258 3.547 40 0 DHABRN Cc1occc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1 ZINC000027920708 182498047 /nfs/dbraw/zinc/49/80/47/182498047.db2.gz NTFPPPSDYADDBI-UHFFFAOYSA-N 0 0 315.760 3.739 40 0 DHABRN CCCCNC(=O)Nc1ccc(Br)c2cccnc12 ZINC000027930168 182498630 /nfs/dbraw/zinc/49/86/30/182498630.db2.gz JGPABVRQZZKURU-UHFFFAOYSA-N 0 0 322.206 3.919 40 0 DHABRN CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 ZINC000027938242 182499478 /nfs/dbraw/zinc/49/94/78/182499478.db2.gz WLJDFGRGUJPLPQ-UHFFFAOYSA-N 0 0 317.698 3.828 40 0 DHABRN CCCc1nnc(NC(=O)COc2ccccc2C(C)C)s1 ZINC000028284461 182519227 /nfs/dbraw/zinc/51/92/27/182519227.db2.gz BYKNSVROGCAKJA-UHFFFAOYSA-N 0 0 319.430 3.632 40 0 DHABRN Cc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000031491166 182615338 /nfs/dbraw/zinc/61/53/38/182615338.db2.gz QTRSFQHIVXPFHP-UHFFFAOYSA-N 0 0 323.314 3.709 40 0 DHABRN CC(=O)C1C(=O)N[C@]23CCCC[C@@H]2[C@H]1c1cc(Cl)ccc1O3 ZINC000101530497 193817635 /nfs/dbraw/zinc/81/76/35/193817635.db2.gz GPUFUHHFUPADPT-SACBGVIRSA-N 0 0 319.788 3.664 40 0 DHABRN COc1ccccc1CN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC000038752162 183008521 /nfs/dbraw/zinc/00/85/21/183008521.db2.gz QYCKORKVHSWJQB-UHFFFAOYSA-N 0 0 313.397 3.755 40 0 DHABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccccc1 ZINC000038772977 183009463 /nfs/dbraw/zinc/00/94/63/183009463.db2.gz CVXHRVSURKFPOD-IBGZPJMESA-N 0 0 311.425 3.901 40 0 DHABRN COC(=O)c1cc(Br)c(-c2ccccc2)cc1OC ZINC000039951726 183022939 /nfs/dbraw/zinc/02/29/39/183022939.db2.gz BLOMJPDEQOVQSJ-UHFFFAOYSA-N 0 0 321.170 3.911 40 0 DHABRN CCCCC(C(=O)C(C)C)=C(O)C(=O)Nc1ccc(C)cc1C ZINC000039943595 183023028 /nfs/dbraw/zinc/02/30/28/183023028.db2.gz VWDXFLXWWZRUOG-HNNXBMFYSA-N 0 0 317.429 3.843 40 0 DHABRN CCOC(=O)c1cnc2c(F)cc(F)cc2c1N(CC)CC ZINC000040175553 183044024 /nfs/dbraw/zinc/04/40/24/183044024.db2.gz PFZKPWJFDPCBRY-UHFFFAOYSA-N 0 0 308.328 3.536 40 0 DHABRN COc1ccc([C@@H](O)c2ccc(Br)cc2)c(OC)c1 ZINC000040243316 183049521 /nfs/dbraw/zinc/04/95/21/183049521.db2.gz SGLPPTHLVWQNJZ-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc([C@H](O)c2ccccc2Br)c(OC)c1 ZINC000040248059 183049100 /nfs/dbraw/zinc/04/91/00/183049100.db2.gz FEWKHMIHRASCSX-OAHLLOKOSA-N 0 0 323.186 3.548 40 0 DHABRN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1 ZINC000040294720 183051871 /nfs/dbraw/zinc/05/18/71/183051871.db2.gz JQRXVNZSQJKULT-RKDXNWHRSA-N 0 0 301.217 3.694 40 0 DHABRN CN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040297230 183052888 /nfs/dbraw/zinc/05/28/88/183052888.db2.gz ICIXDQGVHOGJGB-UHFFFAOYSA-N 0 0 324.211 3.894 40 0 DHABRN Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 ZINC000040924946 183149421 /nfs/dbraw/zinc/14/94/21/183149421.db2.gz AKOHYALLDIOPCV-UHFFFAOYSA-N 0 0 316.817 3.605 40 0 DHABRN CCc1cccc(CC)c1NC(=O)COc1cccc(OC)c1 ZINC000040946375 183149664 /nfs/dbraw/zinc/14/96/64/183149664.db2.gz ZNQLHZRWBBZLBX-UHFFFAOYSA-N 0 0 313.397 3.838 40 0 DHABRN COC(=O)c1cc(N)ccc1Nc1cccc(Br)c1 ZINC000041081558 183163953 /nfs/dbraw/zinc/16/39/53/183163953.db2.gz GHZFDILXAWHZLD-UHFFFAOYSA-N 0 0 321.174 3.562 40 0 DHABRN NC(=O)Cc1ccc(-c2nc3ccccc3s2)cc1Cl ZINC000041127236 183169533 /nfs/dbraw/zinc/16/95/33/183169533.db2.gz NTUFINWMDITQOE-UHFFFAOYSA-N 0 0 302.786 3.645 40 0 DHABRN CCOC(=O)c1nc(-c2ccccc2Br)cs1 ZINC000042407109 183265043 /nfs/dbraw/zinc/26/50/43/183265043.db2.gz SLXFMMOYYUZOAC-UHFFFAOYSA-N 0 0 312.188 3.749 40 0 DHABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000044902662 183453119 /nfs/dbraw/zinc/45/31/19/183453119.db2.gz MSSSKBVFBHALDD-HNNXBMFYSA-N 0 0 321.779 3.953 40 0 DHABRN COc1ccc(SCC(=O)Nc2ccccc2F)cc1OC ZINC000044886402 183447003 /nfs/dbraw/zinc/44/70/03/183447003.db2.gz SLQCCWMBYPDMRE-UHFFFAOYSA-N 0 0 321.373 3.574 40 0 DHABRN Cc1cc(C)c(C)c(OCC(=O)NCCC2=CCCCC2)c1 ZINC000104637799 194021508 /nfs/dbraw/zinc/02/15/08/194021508.db2.gz ANDYKAVRGRUCBR-UHFFFAOYSA-N 0 0 301.430 3.997 40 0 DHABRN COC(=O)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000045923165 183537018 /nfs/dbraw/zinc/53/70/18/183537018.db2.gz RNIGVJCPVPVHRN-UHFFFAOYSA-N 0 0 301.342 3.818 40 0 DHABRN CCc1ccc2oc(-c3ccc(Cn4cnnc4)cc3)nc2c1 ZINC000045920840 183537071 /nfs/dbraw/zinc/53/70/71/183537071.db2.gz PCPTYRVNHYGQFN-UHFFFAOYSA-N 0 0 304.353 3.697 40 0 DHABRN CCc1cc(N)cc(C)c1NC(=O)COc1ccc(C)cc1C ZINC000045890175 183534434 /nfs/dbraw/zinc/53/44/34/183534434.db2.gz NRRBJECJAZCFEE-UHFFFAOYSA-N 0 0 312.413 3.774 40 0 DHABRN Cc1cccc(C(=O)Nc2c(C)cc(NC(N)=S)cc2C)c1 ZINC000045890864 183534797 /nfs/dbraw/zinc/53/47/97/183534797.db2.gz STMSGXYTFGWUKR-UHFFFAOYSA-N 0 0 313.426 3.520 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)NCCSC2CCCC2)c1 ZINC000046450677 183561932 /nfs/dbraw/zinc/56/19/32/183561932.db2.gz DEXXGSMPLOFFJB-AWEZNQCLSA-N 0 0 307.459 3.554 40 0 DHABRN CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000055508399 183990042 /nfs/dbraw/zinc/99/00/42/183990042.db2.gz WSJSNJMLFWPICH-ZDUSSCGKSA-N 0 0 321.417 3.569 40 0 DHABRN Cc1cc(Br)ccc1-c1ccc(/C=C/C(N)=O)o1 ZINC000057353768 184035400 /nfs/dbraw/zinc/03/54/00/184035400.db2.gz UHRWDIOPEUISND-QPJJXVBHSA-N 0 0 306.159 3.516 40 0 DHABRN CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000059244747 184135734 /nfs/dbraw/zinc/13/57/34/184135734.db2.gz NNNWJMDVNOQUEZ-CYBMUJFWSA-N 0 0 317.882 3.976 40 0 DHABRN COc1ccc([C@H](C)NC(=O)COc2ccc(C)cc2C)cc1 ZINC000059351975 184137250 /nfs/dbraw/zinc/13/72/50/184137250.db2.gz AYIYTBIQIRCQBC-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN CC(C)Oc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1 ZINC000061665840 184181842 /nfs/dbraw/zinc/18/18/42/184181842.db2.gz MGEKOMVCDQTWCG-UHFFFAOYSA-N 0 0 304.777 3.962 40 0 DHABRN CCOC(=O)c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000062170279 184210009 /nfs/dbraw/zinc/21/00/09/184210009.db2.gz GJPPYHPXBKZKIM-UHFFFAOYSA-N 0 0 304.317 3.590 40 0 DHABRN CN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12 ZINC000061886970 184192389 /nfs/dbraw/zinc/19/23/89/184192389.db2.gz PWVLZAWWMIOCEB-HUGJHKJRSA-N 0 0 317.473 3.726 40 0 DHABRN CC(=O)N(C)CC/C=C1\c2ccccc2COc2ccccc21 ZINC000065734015 184377873 /nfs/dbraw/zinc/37/78/73/184377873.db2.gz BFOHVOUMOVZBKO-WOJGMQOQSA-N 0 0 307.393 3.879 40 0 in-vitro DHABRN COc1ccc(CSCC(=O)NCc2ccc(C)cc2)cc1 ZINC000113935377 256584745 /nfs/dbraw/zinc/58/47/45/256584745.db2.gz LWXRCAALFHGNMT-UHFFFAOYSA-N 0 0 315.438 3.553 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@]2(c3cccc(Cl)c3)O[C@H]2C1 ZINC000242425595 257120784 /nfs/dbraw/zinc/12/07/84/257120784.db2.gz BQBTXSZGAQQARH-BBRMVZONSA-N 0 0 309.793 3.575 40 0 DHABRN Cc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227447 257122360 /nfs/dbraw/zinc/12/23/60/257122360.db2.gz MEWOSRODEJHKIA-GJZGRUSLSA-N 0 0 321.207 3.717 40 0 DHABRN Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCCCCC1 ZINC000072222481 257124437 /nfs/dbraw/zinc/12/44/37/257124437.db2.gz CWDQQJIRYZKIPC-UHFFFAOYSA-N 0 0 319.449 3.795 40 0 DHABRN CC(C)(C)OC(=O)N(c1ccc(C2=NCCC2)cn1)C1CCC1 ZINC000072215423 257125120 /nfs/dbraw/zinc/12/51/20/257125120.db2.gz MLYXUDUSMHCLHE-UHFFFAOYSA-N 0 0 315.417 3.959 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213715 257125866 /nfs/dbraw/zinc/12/58/66/257125866.db2.gz VODBRXYUWBANDW-CQSZACIVSA-N 0 0 303.406 3.728 40 0 DHABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1C1=NCCC1 ZINC000072214719 257125984 /nfs/dbraw/zinc/12/59/84/257125984.db2.gz XYYANNPRHZSZEV-UHFFFAOYSA-N 0 0 303.406 3.816 40 0 DHABRN CCOc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072211816 257127327 /nfs/dbraw/zinc/12/73/27/257127327.db2.gz XEILGBJANWHHRB-QGZVFWFLSA-N 0 0 310.397 3.848 40 0 DHABRN CCOC(=O)c1cnc2c(OC)cc(C)cc2c1N(CC)CC ZINC000064874660 257128150 /nfs/dbraw/zinc/12/81/50/257128150.db2.gz UCZHRGPILDDHAC-UHFFFAOYSA-N 0 0 316.401 3.575 40 0 DHABRN O[C@@H](Cn1cnc2ccccc21)c1ccc(Br)cc1 ZINC000062702425 257129250 /nfs/dbraw/zinc/12/92/50/257129250.db2.gz NNDIRWULOGEOCL-HNNXBMFYSA-N 0 0 317.186 3.532 40 0 DHABRN Cc1cccc(N2C[C@H](C(=O)Nc3cc(C)ccc3C)CC2=O)c1 ZINC000059227272 257217156 /nfs/dbraw/zinc/21/71/56/257217156.db2.gz SGRIHNQZLGDXQS-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN CNc1ccccc1C(=O)Nc1cccc(Br)c1 ZINC000039212957 257217558 /nfs/dbraw/zinc/21/75/58/257217558.db2.gz CQCJXBNTFSBWEJ-UHFFFAOYSA-N 0 0 305.175 3.743 40 0 DHABRN CCCCCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000016637820 257217770 /nfs/dbraw/zinc/21/77/70/257217770.db2.gz HFUORWPIMJGOBY-UHFFFAOYSA-N 0 0 305.403 3.774 40 0 DHABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(C)cc1 ZINC000409375247 257220271 /nfs/dbraw/zinc/22/02/71/257220271.db2.gz HRQZCWVVEXCNCT-OAHLLOKOSA-N 0 0 314.410 3.763 40 0 DHABRN Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc(Cl)cc1)C2 ZINC000409195253 257221008 /nfs/dbraw/zinc/22/10/08/257221008.db2.gz NVNPHZFCRVDMTQ-UHFFFAOYSA-N 0 0 314.816 3.911 40 0 DHABRN COC(=O)c1ccc(CSc2ccccc2NC(C)=O)cc1 ZINC000409178670 257221269 /nfs/dbraw/zinc/22/12/69/257221269.db2.gz NRNQOMVAQOCCFA-UHFFFAOYSA-N 0 0 315.394 3.724 40 0 DHABRN Cc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)s1 ZINC000409076001 257223648 /nfs/dbraw/zinc/22/36/48/257223648.db2.gz WFGFBZQMKLILAC-MDWZMJQESA-N 0 0 318.785 3.807 40 0 DHABRN CCC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(C(C)(C)C)C1 ZINC000408976761 257224625 /nfs/dbraw/zinc/22/46/25/257224625.db2.gz SAKLQHJWPVGRCX-MRXNPFEDSA-N 0 0 308.809 3.687 40 0 DHABRN CC(C)c1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1 ZINC000408713170 257228114 /nfs/dbraw/zinc/22/81/14/257228114.db2.gz MSRVANABFLJLMR-UHFFFAOYSA-N 0 0 320.392 3.914 40 0 DHABRN COc1ccc(CC(=O)Sc2nc3cc(C)ccc3[nH]2)cc1 ZINC000408624684 257228575 /nfs/dbraw/zinc/22/85/75/257228575.db2.gz VQBIMILMIDEFPN-UHFFFAOYSA-N 0 0 312.394 3.741 40 0 DHABRN CSc1cccc(NC(=O)CSc2ccccc2N)c1 ZINC000408599036 257229089 /nfs/dbraw/zinc/22/90/89/257229089.db2.gz CYELOXFOEHGVTJ-UHFFFAOYSA-N 0 0 304.440 3.722 40 0 DHABRN COc1ccc(OC)c(C(=S)NCc2ccc(Cl)cc2)c1 ZINC000408573873 257229573 /nfs/dbraw/zinc/22/95/73/257229573.db2.gz PKVNVYHYPFLSND-UHFFFAOYSA-N 0 0 321.829 3.823 40 0 DHABRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccco1 ZINC000408562654 257229961 /nfs/dbraw/zinc/22/99/61/257229961.db2.gz RFHWDZWVTWNLMZ-ZCXUNETKSA-N 0 0 312.394 3.879 40 0 DHABRN COc1cccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000408528670 257230343 /nfs/dbraw/zinc/23/03/43/257230343.db2.gz KKNQJNJKEWZUGJ-UHFFFAOYSA-N 0 0 324.311 3.511 40 0 DHABRN O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1ccccc1 ZINC000408533372 257230435 /nfs/dbraw/zinc/23/04/35/257230435.db2.gz QQVGDCOMFIFRBG-VAWYXSNFSA-N 0 0 301.349 3.796 40 0 DHABRN Oc1cccc(Nc2cc(Cl)nc(-c3ccc(F)cc3)n2)c1 ZINC000328987656 257231290 /nfs/dbraw/zinc/23/12/90/257231290.db2.gz ICWCVFBPKCRNNF-UHFFFAOYSA-N 0 0 315.735 3.807 40 0 DHABRN Cc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1 ZINC000005541148 257231497 /nfs/dbraw/zinc/23/14/97/257231497.db2.gz CIHDKAAZVDNFKS-UHFFFAOYSA-N 0 0 305.377 3.843 40 0 DHABRN Cc1nnc(NC(=O)c2csc3cc(C)ccc23)n1C1CC1 ZINC000285408328 131165752 /nfs/dbraw/zinc/16/57/52/131165752.db2.gz MTZQNNGGALJVMA-UHFFFAOYSA-N 0 0 312.398 3.697 40 0 DHABRN CCCOc1ccc(CNC(=O)c2cccc(C)c2)cc1OC ZINC000033632041 262506902 /nfs/dbraw/zinc/50/69/02/262506902.db2.gz LPVQXJLWYIGVQP-UHFFFAOYSA-N 0 0 313.397 3.722 40 0 DHABRN COc1ccccc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000006849156 331499116 /nfs/dbraw/zinc/49/91/16/331499116.db2.gz WTTVIUIEQRXPNA-UHFFFAOYSA-N 0 0 306.818 3.835 40 0 DHABRN O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(Br)c1 ZINC000016386168 333199750 /nfs/dbraw/zinc/19/97/50/333199750.db2.gz KAPLUGSDFTUCTG-LOWVWBTDSA-N 0 0 308.219 3.615 40 0 DHABRN CCN1C(=O)S/C(=C\c2c(OC)ccc3ccccc32)C1=O ZINC000409069068 333399024 /nfs/dbraw/zinc/39/90/24/333399024.db2.gz USLJCSLQDWOJIO-GDNBJRDFSA-N 0 0 313.378 3.905 40 0 DHABRN COc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Cl ZINC000408814127 333405486 /nfs/dbraw/zinc/40/54/86/333405486.db2.gz QFKSOUICMWHWHG-UITAMQMPSA-N 0 0 318.181 3.668 40 0 DHABRN COc1ccc(C(N)=O)cc1COc1ccc2ccccc2c1 ZINC000224309028 333408203 /nfs/dbraw/zinc/40/82/03/333408203.db2.gz UWFWFUBFRSXUQB-UHFFFAOYSA-N 0 0 307.349 3.526 40 0 DHABRN Cc1cccc(-c2nc(CO[C@H]3CCCC[C@H]3C)no2)c1O ZINC000333111033 336198096 /nfs/dbraw/zinc/19/80/96/336198096.db2.gz XOOQNRKCQDLWGW-RISCZKNCSA-N 0 0 302.374 3.846 40 0 DHABRN CC(C)(C)OC(=O)N1CCC2(CCC(=O)c3ccccc32)CC1 ZINC000051943333 337103937 /nfs/dbraw/zinc/10/39/37/337103937.db2.gz ZFNFZJGSXGFMBJ-UHFFFAOYSA-N 0 0 315.413 3.932 40 0 DHABRN CCCCCNC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O ZINC000181824179 520225065 /nfs/dbraw/zinc/22/50/65/520225065.db2.gz NXADVHNVGOMZNL-UHFFFAOYSA-N 0 0 320.820 3.595 40 0 DHABRN Brc1ccccc1-c1nc([C@@H]2CCCCCN2)no1 ZINC000135964925 563597570 /nfs/dbraw/zinc/59/75/70/563597570.db2.gz RKTXVAUUPDLZJG-LBPRGKRZSA-N 0 0 322.206 3.704 40 0 DHABRN CCCCCC(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000009064387 563644971 /nfs/dbraw/zinc/64/49/71/563644971.db2.gz MZARHNQKXDRWFY-UHFFFAOYSA-N 0 0 323.868 3.611 40 0 DHABRN COc1ccc(CNC(=S)Nc2cc(C)c(Cl)cn2)cc1 ZINC000223925777 563737633 /nfs/dbraw/zinc/73/76/33/563737633.db2.gz XPMBZZOWJBKBDX-UHFFFAOYSA-N 0 0 321.833 3.539 40 0 DHABRN CC(C)(C)NC(=S)Nc1ncc(Br)cc1Cl ZINC000223880063 563737672 /nfs/dbraw/zinc/73/76/72/563737672.db2.gz DVZWZWGVDVQQCZ-UHFFFAOYSA-N 0 0 322.659 3.582 40 0 DHABRN Cc1ccc(SCCNC(=S)Nc2cc(C)ccn2)cc1 ZINC000225287344 563751252 /nfs/dbraw/zinc/75/12/52/563751252.db2.gz XCRWXVJDNHJMNX-UHFFFAOYSA-N 0 0 317.483 3.777 40 0 DHABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)nc1C ZINC000225897564 563766417 /nfs/dbraw/zinc/76/64/17/563766417.db2.gz SZEBPFPRFSZMDI-KRWDZBQOSA-N 0 0 308.422 3.713 40 0 DHABRN CCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1 ZINC000007376088 563337776 /nfs/dbraw/zinc/33/77/76/563337776.db2.gz BHHTUTJDUWYPIU-UHFFFAOYSA-N 0 0 313.463 3.578 40 0 DHABRN Nc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000010537019 563357578 /nfs/dbraw/zinc/35/75/78/563357578.db2.gz QNNLJCOXGZUMLI-UHFFFAOYSA-N 0 0 316.158 3.748 40 0 DHABRN CCC[C@H](NC(=O)c1cc(C2CC2)nn1C)c1cccs1 ZINC000012200041 563364400 /nfs/dbraw/zinc/36/44/00/563364400.db2.gz PWJQHAMDPDJELI-LBPRGKRZSA-N 0 0 303.431 3.630 40 0 DHABRN COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccccc1 ZINC000000250395 563233598 /nfs/dbraw/zinc/23/35/98/563233598.db2.gz OIQILTOIIMBXGU-UHFFFAOYSA-N 0 0 304.733 3.771 40 0 DHABRN COc1cccc(C(=O)Nc2cccc(Cl)c2C)c1OC ZINC000000496535 563263401 /nfs/dbraw/zinc/26/34/01/563263401.db2.gz YSKZUNOPGYQJFX-UHFFFAOYSA-N 0 0 305.761 3.918 40 0 DHABRN Cc1cc(C)cc(OCC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000000568788 563267284 /nfs/dbraw/zinc/26/72/84/563267284.db2.gz ASIXRKYQQKJASB-UHFFFAOYSA-N 0 0 313.441 3.623 40 0 DHABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2n1 ZINC000001025913 563275092 /nfs/dbraw/zinc/27/50/92/563275092.db2.gz MWSWUZHGKRTDBQ-UHFFFAOYSA-N 0 0 317.270 3.901 40 0 DHABRN O=C(NCc1ccccc1)c1cccnc1Nc1ccc(F)cc1 ZINC000001340614 563281550 /nfs/dbraw/zinc/28/15/50/563281550.db2.gz LMAIBKNDKYQUFB-UHFFFAOYSA-N 0 0 321.355 3.894 40 0 DHABRN COc1cc2c(c(OC)c1OC)[C@H]1CCCC[C@H]1SCC2=O ZINC000001556482 563284644 /nfs/dbraw/zinc/28/46/44/563284644.db2.gz XOHRFHYQHDDXHS-IINYFYTJSA-N 0 0 322.426 3.668 40 0 DHABRN O=C(C[C@@H]1OC(=O)C(Cl)=C1Cl)c1ccc(Cl)cc1 ZINC000001618358 563287988 /nfs/dbraw/zinc/28/79/88/563287988.db2.gz LQYBKXDTOSRFSI-VIFPVBQESA-N 0 0 305.544 3.527 40 0 DHABRN O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1 ZINC000001653062 563289150 /nfs/dbraw/zinc/28/91/50/563289150.db2.gz YHQZCZRZUDDZTA-UHFFFAOYSA-N 0 0 319.297 3.585 40 0 DHABRN CCOC(=O)C(C)(Cc1c(C)c(C)cc(C)c1C)C(=O)OCC ZINC000001673195 563290691 /nfs/dbraw/zinc/29/06/91/563290691.db2.gz OEQQWEYHNYXRRG-UHFFFAOYSA-N 0 0 320.429 3.595 40 0 DHABRN CCCN(CCC)C(=O)[C@H](c1ccccc1)C1(O)CCCC1 ZINC000001670722 563290722 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/nfs/dbraw/zinc/36/53/02/563365302.db2.gz JJZCPRKQQQVCFO-UHFFFAOYSA-N 0 0 301.143 3.576 40 0 DHABRN S=C(NCCc1ccccc1)c1ccc(Br)cc1 ZINC000013547008 563383294 /nfs/dbraw/zinc/38/32/94/563383294.db2.gz PYIMJSOUEQKVIQ-UHFFFAOYSA-N 0 0 320.255 3.957 40 0 DHABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCCSC(C)(C)C)c1 ZINC000013710520 563386813 /nfs/dbraw/zinc/38/68/13/563386813.db2.gz FFLVLRZTXWUYLL-CQSZACIVSA-N 0 0 309.475 3.719 40 0 DHABRN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 ZINC000013710656 563386868 /nfs/dbraw/zinc/38/68/68/563386868.db2.gz RSJOWRDGSBEPGC-HNNXBMFYSA-N 0 0 311.381 3.912 40 0 DHABRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013938131 563392599 /nfs/dbraw/zinc/39/25/99/563392599.db2.gz NKLFRUUFDMKXGZ-LBPRGKRZSA-N 0 0 309.818 3.688 40 0 DHABRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013938130 563392720 /nfs/dbraw/zinc/39/27/20/563392720.db2.gz NKLFRUUFDMKXGZ-GFCCVEGCSA-N 0 0 309.818 3.688 40 0 DHABRN COc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1OC ZINC000013935016 563392748 /nfs/dbraw/zinc/39/27/48/563392748.db2.gz CCIZJRJQLONBRY-GFCCVEGCSA-N 0 0 316.426 3.751 40 0 DHABRN O=C(CCCOc1ccccc1)NCCSc1ccccc1 ZINC000014401191 563400346 /nfs/dbraw/zinc/40/03/46/563400346.db2.gz PJTUGDXUBUAXGH-UHFFFAOYSA-N 0 0 315.438 3.754 40 0 DHABRN Cc1cccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000014790104 563402968 /nfs/dbraw/zinc/40/29/68/563402968.db2.gz QKOZPWIWQFLSEQ-UHFFFAOYSA-N 0 0 323.314 3.709 40 0 DHABRN Nc1ccc(Br)cc1C(=O)c1c(F)cccc1F ZINC000014989342 563404476 /nfs/dbraw/zinc/40/44/76/563404476.db2.gz HUMJFBFHEXBOPB-UHFFFAOYSA-N 0 0 312.113 3.541 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)cc1C ZINC000015357614 563409683 /nfs/dbraw/zinc/40/96/83/563409683.db2.gz LRTVULVJUYKNOW-CQSZACIVSA-N 0 0 301.361 3.526 40 0 DHABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(F)c1 ZINC000020138144 563417053 /nfs/dbraw/zinc/41/70/53/563417053.db2.gz NBPMXZIYUUTYLY-UHFFFAOYSA-N 0 0 311.312 3.830 40 0 DHABRN COc1cc(NC(=O)c2ccccc2)ccc1-c1ccc(CO)o1 ZINC000020137385 563417068 /nfs/dbraw/zinc/41/70/68/563417068.db2.gz GUUUSPDSSNSZEV-UHFFFAOYSA-N 0 0 323.348 3.700 40 0 DHABRN Fc1cc(F)cc(-c2cc(-c3ccccc3)nc3ncnn32)c1 ZINC000020800306 563417843 /nfs/dbraw/zinc/41/78/43/563417843.db2.gz ODVSUWRWPJMEDJ-UHFFFAOYSA-N 0 0 308.291 3.737 40 0 DHABRN CCN(CC)C(=O)Oc1cccc(Cl)c1Br ZINC000026896107 563426720 /nfs/dbraw/zinc/42/67/20/563426720.db2.gz XHMXNFIQIDCOHN-UHFFFAOYSA-N 0 0 306.587 3.943 40 0 DHABRN CC[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000027339060 563428003 /nfs/dbraw/zinc/42/80/03/563428003.db2.gz PBCJVKBWXJINTP-NSHDSACASA-N 0 0 306.793 3.842 40 0 DHABRN CCCNc1nc2c(cnn2C)c(Nc2cc(C)ccc2C)n1 ZINC000027666410 563429551 /nfs/dbraw/zinc/42/95/51/563429551.db2.gz YUYFAVWBPHVFIR-UHFFFAOYSA-N 0 0 310.405 3.546 40 0 DHABRN CCSc1ccccc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000030850026 563438818 /nfs/dbraw/zinc/43/88/18/563438818.db2.gz OFDBYLUBTWNAHW-UHFFFAOYSA-N 0 0 323.439 3.608 40 0 DHABRN Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2F)c(C)c1 ZINC000030861541 563439307 /nfs/dbraw/zinc/43/93/07/563439307.db2.gz QTMFXOFFXFZVOB-AWEZNQCLSA-N 0 0 321.417 3.623 40 0 DHABRN CC(C)(C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030860633 563439636 /nfs/dbraw/zinc/43/96/36/563439636.db2.gz QABRKYUPTCGXMJ-UHFFFAOYSA-N 0 0 308.425 3.778 40 0 DHABRN Nc1cccc(-c2nc(-c3ccccc3Br)no2)c1 ZINC000034797667 563451973 /nfs/dbraw/zinc/45/19/73/563451973.db2.gz VWUOSFDKYFRNBJ-UHFFFAOYSA-N 0 0 316.158 3.748 40 0 DHABRN Cc1ccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000036635444 563456542 /nfs/dbraw/zinc/45/65/42/563456542.db2.gz BLBSFYPPCWAPKQ-SFHVURJKSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000036635445 563456678 /nfs/dbraw/zinc/45/66/78/563456678.db2.gz YUTIIIYHQOELCY-SFHVURJKSA-N 0 0 322.408 3.664 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(F)cccc1F ZINC000078700592 563459987 /nfs/dbraw/zinc/45/99/87/563459987.db2.gz VNMDGTBXNUSBCV-CYBMUJFWSA-N 0 0 309.287 3.900 40 0 DHABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1 ZINC000042048686 563461264 /nfs/dbraw/zinc/46/12/64/563461264.db2.gz CFMWEIHPZJWQFQ-UHFFFAOYSA-N 0 0 310.397 3.696 40 0 DHABRN CC[C@H](NC(=O)c1c(OC)cccc1OC)c1ccc(C)cc1 ZINC000044839860 563462160 /nfs/dbraw/zinc/46/21/60/563462160.db2.gz ZXASDFRCHRWGIV-HNNXBMFYSA-N 0 0 313.397 3.893 40 0 DHABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccncc2)c1 ZINC000045584619 563465051 /nfs/dbraw/zinc/46/50/51/563465051.db2.gz IAQFZLSTXJSAQY-HNNXBMFYSA-N 0 0 312.413 3.597 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NCCSC2CCCC2)c1 ZINC000046450679 563465271 /nfs/dbraw/zinc/46/52/71/563465271.db2.gz DEXXGSMPLOFFJB-CQSZACIVSA-N 0 0 307.459 3.554 40 0 DHABRN COC(=O)C(C)(C)CC(=O)c1ccc(-c2ccc(N)cc2)cc1 ZINC000008764188 563466775 /nfs/dbraw/zinc/46/67/75/563466775.db2.gz QQIBWNNOJLMPER-UHFFFAOYSA-N 0 0 311.381 3.708 40 0 DHABRN CCOc1ccc(-c2nc(N)cc(Nc3ccccc3)n2)cc1 ZINC000049468020 563467216 /nfs/dbraw/zinc/46/72/16/563467216.db2.gz JNJRTDQIDRQIKI-UHFFFAOYSA-N 0 0 306.369 3.868 40 0 DHABRN C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1 ZINC000049890889 563468418 /nfs/dbraw/zinc/46/84/18/563468418.db2.gz VMKZHGTVMCCPBU-ZDUSSCGKSA-N 0 0 303.789 3.766 40 0 DHABRN CCN(CC)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000055275835 563473762 /nfs/dbraw/zinc/47/37/62/563473762.db2.gz MYSKHUNCVUURNZ-UHFFFAOYSA-N 0 0 315.417 3.661 40 0 DHABRN CC(C)OCCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000057770686 563478099 /nfs/dbraw/zinc/47/80/99/563478099.db2.gz CDXFCXJVUICFHO-UHFFFAOYSA-N 0 0 320.380 3.807 40 0 DHABRN CCc1ccc(CCC(=O)NCCOc2cccc(C)c2)cc1 ZINC000060612513 563479161 /nfs/dbraw/zinc/47/91/61/563479161.db2.gz YYYGJPBSMNYUKF-UHFFFAOYSA-N 0 0 311.425 3.685 40 0 DHABRN Cc1cc(C)cc(OCCNC(=S)Nc2ccccc2)c1 ZINC000063674555 563485334 /nfs/dbraw/zinc/48/53/34/563485334.db2.gz WXDXPLNOQHUVEK-UHFFFAOYSA-N 0 0 300.427 3.669 40 0 DHABRN CC[C@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096519543 563485955 /nfs/dbraw/zinc/48/59/55/563485955.db2.gz YWJJZWUUUUAZFU-MSOLQXFVSA-N 0 0 318.438 3.600 40 0 DHABRN COc1cccc(-c2cc(-c3ccccc3C)nc(N)n2)c1OC ZINC000071978088 563502161 /nfs/dbraw/zinc/50/21/61/563502161.db2.gz YBOIRYNPZACUQA-UHFFFAOYSA-N 0 0 321.380 3.718 40 0 DHABRN Cc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(N)n1 ZINC000127028760 563520033 /nfs/dbraw/zinc/52/00/33/563520033.db2.gz BIXOPUVSBZYUEU-UHFFFAOYSA-N 0 0 302.687 3.783 40 0 DHABRN O=C(NC1CCCCCC1)c1ccn(-c2ccc3ccccn32)n1 ZINC000096038049 563531979 /nfs/dbraw/zinc/53/19/79/563531979.db2.gz PMZPXONABCTBQU-UHFFFAOYSA-N 0 0 322.412 3.578 40 0 DHABRN Cc1ccccc1NC(=O)c1ccn(-c2ccc3ccccn32)n1 ZINC000096038027 563532122 /nfs/dbraw/zinc/53/21/22/563532122.db2.gz KBLVPBPBZYACSM-UHFFFAOYSA-N 0 0 316.364 3.686 40 0 DHABRN CC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 ZINC000098210693 563544454 /nfs/dbraw/zinc/54/44/54/563544454.db2.gz DLHZEHVGTRFRJK-VIFPVBQESA-N 0 0 302.170 3.693 40 0 DHABRN CCc1ccccc1N1C(=O)C[C@@H](Nc2cc(C)ccc2C)C1=O ZINC000101275661 563556940 /nfs/dbraw/zinc/55/69/40/563556940.db2.gz KCCDTHIYPFATQG-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN CCc1ccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 ZINC000101275520 563556970 /nfs/dbraw/zinc/55/69/70/563556970.db2.gz MCGVQRXAJXBGJQ-KRWDZBQOSA-N 0 0 322.408 3.610 40 0 DHABRN CCc1ccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000101275387 563557090 /nfs/dbraw/zinc/55/70/90/563557090.db2.gz BSCGREPGKRFNBS-SFHVURJKSA-N 0 0 322.408 3.610 40 0 DHABRN O=C(c1ccc2c(c1)CCC2)N1CCC[C@H](c2nccs2)C1 ZINC000109053383 563568492 /nfs/dbraw/zinc/56/84/92/563568492.db2.gz QNNHGDRLJTXSDH-INIZCTEOSA-N 0 0 312.438 3.652 40 0 DHABRN CCOc1ccc(-c2nnc(-c3ccoc3C)[nH]2)cc1OCC ZINC000085385103 563569145 /nfs/dbraw/zinc/56/91/45/563569145.db2.gz IDOAFBBOHFPCCV-UHFFFAOYSA-N 0 0 313.357 3.838 40 0 DHABRN CC[C@H](O)c1scc(Br)c1Br ZINC000085391210 563569257 /nfs/dbraw/zinc/56/92/57/563569257.db2.gz FTGRGFHKHRLOLZ-YFKPBYRVSA-N 0 0 300.015 3.717 40 0 DHABRN COC(=O)c1cn([C@H](C)C(=O)Nc2ccccc2)c2ccccc12 ZINC000006958076 563596273 /nfs/dbraw/zinc/59/62/73/563596273.db2.gz NGFVFZRPHRBGJS-CYBMUJFWSA-N 0 0 322.364 3.628 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCCSc2ccccc2)cc1 ZINC000008041226 563601435 /nfs/dbraw/zinc/60/14/35/563601435.db2.gz KVGPMLJPDCRNIK-OAHLLOKOSA-N 0 0 315.438 3.671 40 0 DHABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCc2ccccc2C1 ZINC000008041325 563602288 /nfs/dbraw/zinc/60/22/88/563602288.db2.gz CDAIMAGCZNFHLG-IBGZPJMESA-N 0 0 309.409 3.737 40 0 DHABRN O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000128611826 563605420 /nfs/dbraw/zinc/60/54/20/563605420.db2.gz CRQQSAQPEMJYTF-GFCCVEGCSA-N 0 0 314.401 3.675 40 0 DHABRN [O-]c1c(-c2ccccc2)sc2nc(-c3ccccc3)cc[n+]12 ZINC000000128075 563606922 /nfs/dbraw/zinc/60/69/22/563606922.db2.gz XWHPLJQGBOWNPE-UHFFFAOYSA-O 0 0 305.382 3.921 40 0 DHABRN O=C(Nc1nnc(-c2cccnc2)s1)c1cccc(Cl)c1 ZINC000000412246 563607968 /nfs/dbraw/zinc/60/79/68/563607968.db2.gz TYTKCANSBJQFIP-UHFFFAOYSA-N 0 0 316.773 3.506 40 0 DHABRN CCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1 ZINC000001345419 563620274 /nfs/dbraw/zinc/62/02/74/563620274.db2.gz RHORHYMTSNRQLZ-UHFFFAOYSA-N 0 0 301.415 3.667 40 0 DHABRN Cc1ccccc1Cn1c(C(=O)OC(C)C)cc2c1ccn2C ZINC000001355141 563620900 /nfs/dbraw/zinc/62/09/00/563620900.db2.gz DVTKZZXPXFTCQW-UHFFFAOYSA-N 0 0 310.397 3.902 40 0 DHABRN CCOc1ccc(N2C(=O)CN=C2Nc2ccc(C)c(C)c2)cc1 ZINC000001360534 563620905 /nfs/dbraw/zinc/62/09/05/563620905.db2.gz QPPAHQBIZDNJPR-UHFFFAOYSA-N 0 0 323.396 3.517 40 0 DHABRN COC(OC)(c1ccc2c(c1)[nH]c1ccc(Cl)cc12)[C@H](C)O ZINC000034496313 563625362 /nfs/dbraw/zinc/62/53/62/563625362.db2.gz QTDQYWLFPXKKNK-JTQLQIEISA-N 0 0 319.788 3.801 40 0 in-vitro DHABRN COc1cc(Nc2cc(Cl)nc(C)n2)c(OC)cc1Cl ZINC000052835513 563626787 /nfs/dbraw/zinc/62/67/87/563626787.db2.gz LSWIQUAICVLVOH-UHFFFAOYSA-N 0 0 314.172 3.853 40 0 DHABRN O=C(c1ccc(N2CCCCC2)cc1)N1CCc2ccccc21 ZINC000007505050 563640524 /nfs/dbraw/zinc/64/05/24/563640524.db2.gz VOEHXEPPVHVIQL-UHFFFAOYSA-N 0 0 306.409 3.880 40 0 DHABRN CCOc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1 ZINC000007383012 563640576 /nfs/dbraw/zinc/64/05/76/563640576.db2.gz JDGSBFWZBFSKPS-UHFFFAOYSA-N 0 0 310.397 3.938 40 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GBYBDRZLFHAQRZ-UHFFFAOYSA-N 0 0 323.327 3.544 40 0 DHABRN COc1ccccc1CN(C)C(=O)CCc1ccc(C)c(C)c1 ZINC000222634925 563726774 /nfs/dbraw/zinc/72/67/74/563726774.db2.gz NHHYUIDNQHHZDB-UHFFFAOYSA-N 0 0 311.425 3.903 40 0 DHABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)[nH]3)N21 ZINC000222718194 563727762 /nfs/dbraw/zinc/72/77/62/563727762.db2.gz JKVNMSSMJDLQJL-APHBMKBZSA-N 0 0 312.442 3.698 40 0 DHABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 ZINC000223206950 563731774 /nfs/dbraw/zinc/73/17/74/563731774.db2.gz XUIWWXUGWBGMIA-OAHLLOKOSA-N 0 0 323.436 3.994 40 0 DHABRN CC[C@H](C(=O)OC)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C ZINC000223200782 563731842 /nfs/dbraw/zinc/73/18/42/563731842.db2.gz WNLXXISROXROMF-SWLSCSKDSA-N 0 0 305.418 3.739 40 0 DHABRN CC(=O)Nc1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1 ZINC000223247137 563732814 /nfs/dbraw/zinc/73/28/14/563732814.db2.gz FQXFNNKQZFYUDX-UHFFFAOYSA-N 0 0 310.397 3.833 40 0 DHABRN CCc1ccc(CC(=O)NCCCc2cccc(OC)c2)cc1 ZINC000223414278 563733994 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DHABRN Cc1ccc(OCCCC(=O)N2CCc3ccccc3C2)cc1 ZINC000050080555 563923105 /nfs/dbraw/zinc/92/31/05/563923105.db2.gz OWMQGBDXTYCBMI-UHFFFAOYSA-N 0 0 309.409 3.739 40 0 DHABRN FC(F)(F)COc1ccnc2c(Br)cccc12 ZINC000685937876 563927048 /nfs/dbraw/zinc/92/70/48/563927048.db2.gz YEVXZNFICKFXIX-UHFFFAOYSA-N 0 0 306.081 3.938 40 0 DHABRN CCN(CC)C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@H](C)O ZINC000225437002 563927834 /nfs/dbraw/zinc/92/78/34/563927834.db2.gz XHLJCTKICTYVRU-JTQLQIEISA-N 0 0 322.792 3.530 40 0 biogenic,in-vitro DHABRN CC(C)(C)c1ccc(-c2nnc([C@H](N)c3ccccc3)[nH]2)cc1 ZINC000095533464 563931849 /nfs/dbraw/zinc/93/18/49/563931849.db2.gz UVNIZPJGGOHQTM-MRXNPFEDSA-N 0 0 306.413 3.817 40 0 DHABRN O=c1c2ccccc2nc(-c2ccccc2)n1Nc1ccccc1 ZINC000002801448 563940924 /nfs/dbraw/zinc/94/09/24/563940924.db2.gz JFGSHUOPEXYFBO-UHFFFAOYSA-N 0 0 313.360 3.939 40 0 DHABRN O=C(Nc1noc2ncccc12)c1ccc(Cl)cc1Cl ZINC000031903714 563945024 /nfs/dbraw/zinc/94/50/24/563945024.db2.gz SSZCPIGOAYMENP-UHFFFAOYSA-N 0 0 308.124 3.782 40 0 DHABRN Cc1cccc(CNc2cc(Cl)nc(-c3cccnc3)n2)c1 ZINC000328984110 563960132 /nfs/dbraw/zinc/96/01/32/563960132.db2.gz HLFBHHSHWJTHQB-UHFFFAOYSA-N 0 0 310.788 4.113 40 0 DHABRN O=C([O-])[C@@H]1C[C@H]2C[C@H](C[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000665887160 563960507 /nfs/dbraw/zinc/96/05/07/563960507.db2.gz GEDUJKKTXUQVAR-MBOZVWFJSA-N 0 0 321.420 3.864 40 0 DHABRN O=C1[C@@H](O)[C@@H](c2ccccc2)c2ccccc2N1c1ccccc1 ZINC000001564172 568412252 /nfs/dbraw/zinc/41/22/52/568412252.db2.gz IKSHEFTYHQNATA-PMACEKPBSA-N 0 0 315.372 3.858 40 0 DHABRN Cc1cc(N2C(=O)CCSC2=S)ccc1Br ZINC000001565567 568412296 /nfs/dbraw/zinc/41/22/96/568412296.db2.gz ROZAJEVWOJJOPI-UHFFFAOYSA-N 0 0 316.245 3.512 40 0 DHABRN COC(=O)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000075629718 568413599 /nfs/dbraw/zinc/41/35/99/568413599.db2.gz MZSGCJXSOIQHTA-HNNXBMFYSA-N 0 0 319.401 3.854 40 0 DHABRN CC(C)OC(=O)OCCC(F)(F)C(F)(F)Br ZINC000169795829 568414406 /nfs/dbraw/zinc/41/44/06/568414406.db2.gz CFXMAVIUCYPMKA-UHFFFAOYSA-N 0 0 311.069 3.561 40 0 DHABRN CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(C)cc1 ZINC000014001503 568414765 /nfs/dbraw/zinc/41/47/65/568414765.db2.gz QNHASOGIVQQVHF-UHFFFAOYSA-N 0 0 312.438 3.993 40 0 DHABRN Brc1cc(-c2ccccc2Br)ncn1 ZINC000160952001 568415898 /nfs/dbraw/zinc/41/58/98/568415898.db2.gz BBWCIHFJSPKWOG-UHFFFAOYSA-N 0 0 313.980 3.669 40 0 DHABRN CC[C@H](C)NC(=O)CSCc1ccccc1Br ZINC000185334543 568415905 /nfs/dbraw/zinc/41/59/05/568415905.db2.gz DOVSLIRUGFDYBB-JTQLQIEISA-N 0 0 316.264 3.597 40 0 DHABRN CCOC(=O)c1nc2cc(OC)ccc2c(Cl)c1Cl ZINC000685936857 568416384 /nfs/dbraw/zinc/41/63/84/568416384.db2.gz COEOWWUSQFUEQY-UHFFFAOYSA-N 0 0 300.141 3.727 40 0 DHABRN FCc1ccc(Br)c(I)c1 ZINC001504206554 1017844131 /nfs/dbraw/zinc/84/41/31/1017844131.db2.gz ZSSMMDJIGWMAGY-UHFFFAOYSA-N 0 0 314.923 3.523 40 0 DHABRN CCOP(=O)(OCC)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000199524922 1019316311 /nfs/dbraw/zinc/31/63/11/1019316311.db2.gz MGGYRSWMBLYUCD-GFCCVEGCSA-N 0 0 320.709 3.820 40 0 DHABRN O=C(OC/C=C/COC(=O)C1CCCCC1)C1CCCCC1 ZINC000255190715 1019336196 /nfs/dbraw/zinc/33/61/96/1019336196.db2.gz YYUQXLITJUELAP-BQYQJAHWSA-N 0 0 308.418 3.790 40 0 DHABRN NC(=S)C[C@@H](Cc1nc2ccccc2s1)C(F)(F)F ZINC000256052388 1019707227 /nfs/dbraw/zinc/70/72/27/1019707227.db2.gz NDBWMWFFLJPXEE-ZETCQYMHSA-N 0 0 304.362 3.694 40 0 DHABRN CC(C)c1cnc(NC(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)s1 ZINC000192390489 1022012760 /nfs/dbraw/zinc/01/27/60/1022012760.db2.gz ITKPYVHQWXZMCT-BDAKNGLRSA-N 0 0 305.407 3.757 40 0 DHABRN CCc1ccccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccccc1 ZINC000014000808 1022042555 /nfs/dbraw/zinc/04/25/55/1022042555.db2.gz GDKIIGDGQWWTBF-MRXNPFEDSA-N 0 0 317.392 3.909 40 0 DHABRN CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1 ZINC000044013761 1022505427 /nfs/dbraw/zinc/50/54/27/1022505427.db2.gz MQNPAJVLFLUXIG-GXDHUFHOSA-N 0 0 310.328 3.770 40 0 DHABRN O=C(CCc1ccc2c(c1)OCO2)NC1CCCCCCC1 ZINC000198913800 1024035221 /nfs/dbraw/zinc/03/52/21/1024035221.db2.gz TZXFVSVXOPVFPN-UHFFFAOYSA-N 0 0 303.402 3.577 40 0 DHABRN Cc1nn2c(nc(C)cc2-c2ccccc2)c1Br ZINC000215880795 1024276278 /nfs/dbraw/zinc/27/62/78/1024276278.db2.gz RLYZPMXPHHJKPP-UHFFFAOYSA-N 0 0 302.175 3.776 40 0 DHABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)cc2Cl)c1 ZINC000191144381 1034759069 /nfs/dbraw/zinc/75/90/69/1034759069.db2.gz NKWGKDXHZQWAMQ-UHFFFAOYSA-N 0 0 317.772 3.996 40 0 DHABRN C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc2c1CCCC2 ZINC000225358739 201697334 /nfs/dbraw/zinc/69/73/34/201697334.db2.gz NFFFLBFUJOZARG-OAHLLOKOSA-N 0 0 321.420 3.922 40 0 DHABRN CCOC(=O)CCCOc1ccc(Cl)cc1Br ZINC000095738561 185383810 /nfs/dbraw/zinc/38/38/10/185383810.db2.gz XLSPKOPCVNKVRC-UHFFFAOYSA-N 0 0 321.598 3.825 40 0 DHABRN Cc1ccnc(SC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000079440843 185171842 /nfs/dbraw/zinc/17/18/42/185171842.db2.gz AQSGSFRJQIQVFY-ZDUSSCGKSA-N 0 0 308.447 3.882 40 0 DHABRN Cc1ccnc(NC(=S)NCc2ccc(OC(C)C)cc2)c1 ZINC000225448175 201709693 /nfs/dbraw/zinc/70/96/93/201709693.db2.gz ROPNZGUPIWQLTM-UHFFFAOYSA-N 0 0 315.442 3.664 40 0 DHABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5n[nH]cc5C[C@]34C)[C@@H]1CC[C@@H]2O ZINC000004625581 190619874 /nfs/dbraw/zinc/61/98/74/190619874.db2.gz GZCJWTCFQKPYQN-SMVANRBLSA-N 0 0 314.473 3.728 40 0 DHABRN Cc1cc(C)c(OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c(C)c1 ZINC000006742779 190623149 /nfs/dbraw/zinc/62/31/49/190623149.db2.gz NWZQXEHMRAUYMK-MOPGFXCFSA-N 0 0 316.397 3.639 40 0 DHABRN COc1ccccc1NC(=O)COc1cccc2c1CCCC2 ZINC000225767334 201742893 /nfs/dbraw/zinc/74/28/93/201742893.db2.gz RZJRNPRBNIPMKP-UHFFFAOYSA-N 0 0 311.381 3.592 40 0 DHABRN O=C(NC1CCCCC1)c1snnc1-c1ccc(Cl)cc1 ZINC000225768741 201744347 /nfs/dbraw/zinc/74/43/47/201744347.db2.gz LILGLGYLFIVCBD-UHFFFAOYSA-N 0 0 321.833 3.921 40 0 DHABRN O=C(Nc1ccccc1F)c1snnc1-c1ccc(F)cc1 ZINC000225778130 201745159 /nfs/dbraw/zinc/74/51/59/201745159.db2.gz NZBCENGQGZLMLS-UHFFFAOYSA-N 0 0 317.320 3.736 40 0 DHABRN C[C@]1(O)CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004104654 290720588 /nfs/dbraw/zinc/72/05/88/290720588.db2.gz XLHAVSYGJGEONL-FDVPAGPLSA-N 0 0 318.457 3.528 40 0 biogenic,in-vitro DHABRN CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cn1 ZINC000225898944 201761475 /nfs/dbraw/zinc/76/14/75/201761475.db2.gz BFYZVFPILTXEDC-UHFFFAOYSA-N 0 0 320.433 3.938 40 0 DHABRN Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(N)c1 ZINC000070462907 190900043 /nfs/dbraw/zinc/90/00/43/190900043.db2.gz SRWSBCSMJOFEHU-UHFFFAOYSA-N 0 0 318.804 3.865 40 0 DHABRN Cc1ccccc1COC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072203952 191076458 /nfs/dbraw/zinc/07/64/58/191076458.db2.gz VVHPEEPBHAOAHP-MRXNPFEDSA-N 0 0 305.418 3.911 40 0 DHABRN CN(C)c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1N ZINC000072229327 191077235 /nfs/dbraw/zinc/07/72/35/191077235.db2.gz HDZARLIQURVAAM-UHFFFAOYSA-N 0 0 324.211 3.894 40 0 DHABRN CSc1cccc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000225602745 186282122 /nfs/dbraw/zinc/28/21/22/186282122.db2.gz WQOLOIBWBQIWKN-UHFFFAOYSA-N 0 0 311.403 3.657 40 0 DHABRN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000225611120 186283198 /nfs/dbraw/zinc/28/31/98/186283198.db2.gz SAPRNJIRHVKXJE-CYBMUJFWSA-N 0 0 321.417 3.736 40 0 DHABRN COC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1C ZINC000225628149 186284711 /nfs/dbraw/zinc/28/47/11/186284711.db2.gz ZBZUAMVZRWJRFN-UHFFFAOYSA-N 0 0 323.392 3.913 40 0 DHABRN O=C(c1cccc2ncccc21)N1CCC(c2ccncc2)CC1 ZINC000072346590 191127472 /nfs/dbraw/zinc/12/74/72/191127472.db2.gz RDAKUHVGJKDNMH-UHFFFAOYSA-N 0 0 317.392 3.650 40 0 DHABRN CC(=O)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072357573 191130652 /nfs/dbraw/zinc/13/06/52/191130652.db2.gz MYUBFHYDUHKMDC-UHFFFAOYSA-N 0 0 312.388 3.537 40 0 DHABRN CC(=O)N1CCC[C@@H](c2cnc(-c3ccc(Cl)cc3)cn2)C1 ZINC000072360767 191131584 /nfs/dbraw/zinc/13/15/84/191131584.db2.gz GXGKMIQDZPKSPH-CQSZACIVSA-N 0 0 315.804 3.523 40 0 DHABRN Fc1ccc(NCc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000072392287 191147182 /nfs/dbraw/zinc/14/71/82/191147182.db2.gz RIOHLNXXABSOIW-UHFFFAOYSA-N 0 0 319.343 3.543 40 0 DHABRN Fc1cccc(NCc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000072392306 191148093 /nfs/dbraw/zinc/14/80/93/191148093.db2.gz SEEBGYOSWJQQHI-UHFFFAOYSA-N 0 0 319.343 3.543 40 0 DHABRN O=C1O[C@H](Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000000032916 180672695 /nfs/dbraw/zinc/67/26/95/180672695.db2.gz QBUQBJFTVLGTKT-ZDUSSCGKSA-N 0 0 309.243 3.866 40 0 DHABRN O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(Cl)cc1 ZINC000000055421 180679989 /nfs/dbraw/zinc/67/99/89/180679989.db2.gz BPPONWQIBJSQIY-NTEUORMPSA-N 0 0 301.704 3.824 40 0 DHABRN COc1ccc(/C=C/C(=O)Oc2c(C)cccc2C)c(OC)c1 ZINC000000147503 180708353 /nfs/dbraw/zinc/70/83/53/180708353.db2.gz HSDGTZVLMUBBNS-PKNBQFBNSA-N 0 0 312.365 3.939 40 0 DHABRN CCOC(=O)Oc1ccc(Br)cc1Br ZINC000001692354 180888575 /nfs/dbraw/zinc/88/85/75/180888575.db2.gz DQHDUYRALBXZKR-UHFFFAOYSA-N 0 0 323.968 3.747 40 0 DHABRN CCN(CC)C(=S)SCCSC(=S)N(CC)CC ZINC000001732690 180892899 /nfs/dbraw/zinc/89/28/99/180892899.db2.gz UARYQTLLIJOADW-UHFFFAOYSA-N 0 0 324.606 3.706 40 0 DHABRN O=C(NCc1ccccc1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000003059188 180979327 /nfs/dbraw/zinc/97/93/27/180979327.db2.gz ULUJOCPTYZTMRJ-GJZGRUSLSA-N 0 0 320.219 3.890 40 0 DHABRN O=C(COC(=O)c1ccc(F)cc1)Nc1ccc2ccccc2c1 ZINC000003510870 181028192 /nfs/dbraw/zinc/02/81/92/181028192.db2.gz KUNDTJYHPRAULT-UHFFFAOYSA-N 0 0 323.323 3.774 40 0 DHABRN C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000003516003 181029375 /nfs/dbraw/zinc/02/93/75/181029375.db2.gz QCHGBJJYJDUTMX-NSHDSACASA-N 0 0 307.752 3.735 40 0 DHABRN COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000003597836 181038232 /nfs/dbraw/zinc/03/82/32/181038232.db2.gz YOAMMODMSCSOOJ-UHFFFAOYSA-N 0 0 321.332 3.829 40 0 DHABRN CCN(CC)C(=O)c1ccccc1CC(=O)c1ccccc1C ZINC000003847981 181049329 /nfs/dbraw/zinc/04/93/29/181049329.db2.gz XZVSQMXGCLHJRK-UHFFFAOYSA-N 0 0 309.409 3.902 40 0 DHABRN COc1cc2occc2c(OC)c1C1=NN[C@@H](c2ccccc2)C1 ZINC000003851090 181049816 /nfs/dbraw/zinc/04/98/16/181049816.db2.gz VBXVRYAJXBGWLU-CQSZACIVSA-N 0 0 322.364 3.889 40 0 DHABRN CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C ZINC000003999251 181060326 /nfs/dbraw/zinc/06/03/26/181060326.db2.gz ARHZHRUTGKCDRK-PYIJOLGTSA-N 0 0 315.457 3.651 40 0 DHABRN O=C(CSc1nnc(-c2cccc(F)c2)o1)c1ccccc1 ZINC000004185889 181083349 /nfs/dbraw/zinc/08/33/49/181083349.db2.gz OOFGTTLLYUCWIU-UHFFFAOYSA-N 0 0 314.341 3.851 40 0 DHABRN O=C(NCCSCc1ccc(Cl)cc1Cl)C1CC1 ZINC000182418596 199436187 /nfs/dbraw/zinc/43/61/87/199436187.db2.gz YKJCXQKKCZFCMI-UHFFFAOYSA-N 0 0 304.242 3.753 40 0 DHABRN O=c1[nH]c2c(s1)[C@H]1c3ccccc3O[C@H]3CCC[C@H](S2)[C@@H]13 ZINC000004484431 181113467 /nfs/dbraw/zinc/11/34/67/181113467.db2.gz RPODNVZRIFIAQZ-CYDGBPFRSA-N 0 0 317.435 3.604 40 0 DHABRN COc1ccc(C2NC3=C(C2=O)C(=O)CC(C)(C)C3)cc1F ZINC000004785104 181152079 /nfs/dbraw/zinc/15/20/79/181152079.db2.gz RICOWNUSVXZUBA-UHFFFAOYSA-N 0 0 303.333 3.690 40 0 DHABRN Nc1cc(-c2nnc(-c3ccc(Cl)c(N)c3)o2)ccc1Cl ZINC000073634467 191332184 /nfs/dbraw/zinc/33/21/84/191332184.db2.gz RHPLQJYPOGYFCU-UHFFFAOYSA-N 0 0 321.167 3.875 40 0 DHABRN 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309.152 3.571 40 0 DHABRN Cc1ccc(-c2nnc([C@H](c3ccccc3)n3ccnc3)o2)cc1 ZINC000005530136 181253648 /nfs/dbraw/zinc/25/36/48/181253648.db2.gz VIIPWUUMTOEXTC-KRWDZBQOSA-N 0 0 316.364 3.879 40 0 DHABRN Nc1ccccc1CNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005589415 181261481 /nfs/dbraw/zinc/26/14/81/181261481.db2.gz AYLOBERKVLENSZ-UHFFFAOYSA-N 0 0 309.291 3.609 40 0 DHABRN O=c1oc2ccccc2cc1C1=NN[C@H](c2ccccc2Cl)C1 ZINC000005704900 181274614 /nfs/dbraw/zinc/27/46/14/181274614.db2.gz NOSNEEQJMYUKIZ-HNNXBMFYSA-N 0 0 324.767 3.885 40 0 DHABRN C[C@@H]1NC(=O)[C@@H](C)[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 ZINC000005882884 181292934 /nfs/dbraw/zinc/29/29/34/181292934.db2.gz NGMGPYNQJAKUED-ZZCKCESHSA-N 0 0 323.396 3.607 40 0 DHABRN COc1ccc(NC(=O)COc2cccc(C)c2)cc1Cl ZINC000005942966 181298985 /nfs/dbraw/zinc/29/89/85/181298985.db2.gz SZNLYBSGWQWYQE-UHFFFAOYSA-N 0 0 305.761 3.675 40 0 DHABRN CCOc1ccc(CN(C)C(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000006335701 181331570 /nfs/dbraw/zinc/33/15/70/181331570.db2.gz 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ZINC000010157170 181659042 /nfs/dbraw/zinc/65/90/42/181659042.db2.gz YXKWTPPLQPEYRJ-UHFFFAOYSA-N 0 0 301.349 3.689 40 0 DHABRN Cc1cc(C)cc(NC(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000014795282 181971451 /nfs/dbraw/zinc/97/14/51/181971451.db2.gz NUNSGQQNDWZJGX-UHFFFAOYSA-N 0 0 305.381 3.801 40 0 DHABRN CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000015648527 182010248 /nfs/dbraw/zinc/01/02/48/182010248.db2.gz JSNXPLQKHIIKME-CXAGYDPISA-N 0 0 301.361 3.861 40 0 DHABRN O=C(Cc1ccc(F)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000015940994 182025938 /nfs/dbraw/zinc/02/59/38/182025938.db2.gz LWZZLWKFOCRSJP-UHFFFAOYSA-N 0 0 320.367 3.993 40 0 DHABRN COC(=O)c1ccccc1N(C)C(=O)Nc1ccc(Cl)cc1 ZINC000016188849 182036354 /nfs/dbraw/zinc/03/63/54/182036354.db2.gz QDDLOVCAPWKZAQ-UHFFFAOYSA-N 0 0 318.760 3.795 40 0 DHABRN COc1ccccc1CNC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 ZINC000016227317 182037693 /nfs/dbraw/zinc/03/76/93/182037693.db2.gz SGIJDGOUBUOBKR-GPJUQDOMSA-N 0 0 311.381 3.741 40 0 DHABRN O=C(Cn1cnc2ccccc21)Nc1c(Cl)cccc1Cl ZINC000016545626 182049242 /nfs/dbraw/zinc/04/92/42/182049242.db2.gz JVHIKIXAMNXMKI-UHFFFAOYSA-N 0 0 320.179 3.982 40 0 DHABRN Cc1cccc(OCC(=O)N[C@H](C)CCc2ccccc2)c1C ZINC000017155547 182078165 /nfs/dbraw/zinc/07/81/65/182078165.db2.gz FZIZLOFTTHNRES-MRXNPFEDSA-N 0 0 311.425 3.820 40 0 DHABRN CC(=O)N1c2ccc(-c3cn4ccc(C)cc4n3)cc2C[C@H]1C ZINC000019238207 182111216 /nfs/dbraw/zinc/11/12/16/182111216.db2.gz PXEHRFQAYAXFJO-CYBMUJFWSA-N 0 0 305.381 3.607 40 0 DHABRN Fc1ccccc1Nc1noc2c1CN(Cc1ccccn1)CC2 ZINC000019350097 182117475 /nfs/dbraw/zinc/11/74/75/182117475.db2.gz IEXQZVNCSPAKBE-UHFFFAOYSA-N 0 0 324.359 3.511 40 0 DHABRN O=C1Oc2nc3ccccc3cc2CN1Cc1ccccc1F ZINC000019376301 182120416 /nfs/dbraw/zinc/12/04/16/182120416.db2.gz RGMOXQJZPFHVNL-UHFFFAOYSA-N 0 0 308.312 3.889 40 0 DHABRN Cc1cc(NC(=O)c2cccc(N)c2C)ccc1Br ZINC000019402020 182121496 /nfs/dbraw/zinc/12/14/96/182121496.db2.gz ZACBIASMHBWYMU-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN CCCn1c(C)cc2cc(NC(=O)[C@H](C)n3ccnc3)ccc21 ZINC000019525968 182128567 /nfs/dbraw/zinc/12/85/67/182128567.db2.gz GBSWGZRKAKKRKR-AWEZNQCLSA-N 0 0 310.401 3.756 40 0 DHABRN Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1N ZINC000019475573 182124665 /nfs/dbraw/zinc/12/46/65/182124665.db2.gz KWSBQDLRPURFNW-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN Cc1nn(C)cc1-c1cncn1[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000019719469 182137455 /nfs/dbraw/zinc/13/74/55/182137455.db2.gz IVYYPVVCEXRTJD-AWEZNQCLSA-N 0 0 322.412 3.526 40 0 DHABRN CCOC(=O)c1cnc2c(Cl)cccc2c1Br ZINC000019721442 182138670 /nfs/dbraw/zinc/13/86/70/182138670.db2.gz PTGMNGULZYMPCN-UHFFFAOYSA-N 0 0 314.566 3.827 40 0 DHABRN COc1cc(CNc2ccccc2)cc(Br)c1O ZINC000019879229 182160071 /nfs/dbraw/zinc/16/00/71/182160071.db2.gz XDQPLNYPAPRGCR-UHFFFAOYSA-N 0 0 308.175 3.775 40 0 DHABRN O=C1COc2ccc(Cl)cc2N1Cc1ccc(Cl)cc1 ZINC000019991499 182174912 /nfs/dbraw/zinc/17/49/12/182174912.db2.gz QYJZHLDQWOMSTK-UHFFFAOYSA-N 0 0 308.164 3.919 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)COc2c(C)cccc2C)cc1 ZINC000020025493 182180327 /nfs/dbraw/zinc/18/03/27/182180327.db2.gz OQJILSDDCYZNDX-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN CCc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 ZINC000020034131 182182002 /nfs/dbraw/zinc/18/20/02/182182002.db2.gz QTDPGAPIMHMCPN-UHFFFAOYSA-N 0 0 322.777 3.628 40 0 DHABRN Cc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)o1 ZINC000020033710 182182208 /nfs/dbraw/zinc/18/22/08/182182208.db2.gz VCYUQHJCRSHKOX-UHFFFAOYSA-N 0 0 303.170 3.660 40 0 DHABRN COc1ccc(SCC(=O)Nc2ccccc2C)cc1OC ZINC000020044485 182182793 /nfs/dbraw/zinc/18/27/93/182182793.db2.gz XKWMDBUFBFXYRC-UHFFFAOYSA-N 0 0 317.410 3.743 40 0 DHABRN COc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccccc1 ZINC000020038380 182182866 /nfs/dbraw/zinc/18/28/66/182182866.db2.gz DLKHYICAVSWESY-AWEZNQCLSA-N 0 0 315.438 3.834 40 0 DHABRN C[C@@H]1CCc2onc(C(=O)Nc3ccc(F)cc3Cl)c2C1 ZINC000020572129 182234077 /nfs/dbraw/zinc/23/40/77/182234077.db2.gz DMWFLMJBTWPQKK-MRVPVSSYSA-N 0 0 308.740 3.844 40 0 DHABRN Cc1ccc(CN(C)S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000020491722 182224487 /nfs/dbraw/zinc/22/44/87/182224487.db2.gz IVZSVYAWQYVPGQ-UHFFFAOYSA-N 0 0 323.845 3.610 40 0 DHABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 ZINC000020495808 182225103 /nfs/dbraw/zinc/22/51/03/182225103.db2.gz NFGWUPPKWUAVHD-GUYCJALGSA-N 0 0 301.361 3.861 40 0 DHABRN CCc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 ZINC000020520844 182226244 /nfs/dbraw/zinc/22/62/44/182226244.db2.gz UUGCYZKYTCNLMB-UHFFFAOYSA-N 0 0 319.202 3.846 40 0 DHABRN Cc1cccc(OCCNC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000021785476 182289069 /nfs/dbraw/zinc/28/90/69/182289069.db2.gz VKRLHFHHCIFXOL-UHFFFAOYSA-N 0 0 313.397 3.591 40 0 DHABRN COc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1 ZINC000021993105 182302270 /nfs/dbraw/zinc/30/22/70/182302270.db2.gz OVCAVWYHNAHULD-UHFFFAOYSA-N 0 0 307.390 3.573 40 0 DHABRN CSc1cccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000022060906 182307034 /nfs/dbraw/zinc/30/70/34/182307034.db2.gz MPCBFZJWRUFXRZ-UHFFFAOYSA-N 0 0 323.458 3.627 40 0 in-vitro DHABRN CCOC(=O)N1CCN[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000022115378 182309174 /nfs/dbraw/zinc/30/91/74/182309174.db2.gz IHGUOBVQHSJQOW-ROUUACIJSA-N 0 0 310.397 3.531 40 0 DHABRN FC(F)(F)c1nc2ccc(Br)cc2c(=S)[nH]1 ZINC000021953412 182300108 /nfs/dbraw/zinc/30/01/08/182300108.db2.gz YWZJFCNJQMURFC-UHFFFAOYSA-N 0 0 309.110 3.700 40 0 DHABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCCC1 ZINC000022245949 182315021 /nfs/dbraw/zinc/31/50/21/182315021.db2.gz HCAWNPSTOKNGIT-UHFFFAOYSA-N 0 0 305.378 3.570 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)c1 ZINC000022524788 182325005 /nfs/dbraw/zinc/32/50/05/182325005.db2.gz UVHHJLHDGSWHHH-HUUCEWRRSA-N 0 0 313.397 3.648 40 0 DHABRN CSc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1 ZINC000022521797 182325294 /nfs/dbraw/zinc/32/52/94/182325294.db2.gz IYNPZFGODCCRGL-UHFFFAOYSA-N 0 0 321.467 3.538 40 0 DHABRN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 ZINC000022739749 182332745 /nfs/dbraw/zinc/33/27/45/182332745.db2.gz HJXMOVUYCLLMGW-OAHLLOKOSA-N 0 0 311.381 3.912 40 0 DHABRN CCOc1ccccc1NC(=S)NCc1ccccc1C ZINC000023105729 182347427 /nfs/dbraw/zinc/34/74/27/182347427.db2.gz MBBBKCDBOXGWLI-UHFFFAOYSA-N 0 0 300.427 3.880 40 0 DHABRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000023488635 182362241 /nfs/dbraw/zinc/36/22/41/182362241.db2.gz BDHHGHNPQNFLPH-ZDUSSCGKSA-N 0 0 301.361 3.644 40 0 DHABRN CCOc1ccccc1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000024587148 182384504 /nfs/dbraw/zinc/38/45/04/182384504.db2.gz ZDBGZYINHVQOLP-UHFFFAOYSA-N 0 0 307.353 3.523 40 0 DHABRN COC(=O)Cc1ccc(CNc2cc3ccccc3cc2N)cc1 ZINC000027644335 182485163 /nfs/dbraw/zinc/48/51/63/182485163.db2.gz WMWDLNUYGDZHSY-UHFFFAOYSA-N 0 0 320.392 3.750 40 0 in-vitro DHABRN Cc1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)o1 ZINC000027920569 182497782 /nfs/dbraw/zinc/49/77/82/182497782.db2.gz VAEIXYNJMOGQAZ-UHFFFAOYSA-N 0 0 313.332 3.533 40 0 DHABRN CCn1cc(Cl)c(C(=O)Nc2cc(C)nc3ccccc32)n1 ZINC000028222923 182512565 /nfs/dbraw/zinc/51/25/65/182512565.db2.gz NLKGGWVVEXTVFO-UHFFFAOYSA-N 0 0 314.776 3.665 40 0 DHABRN COc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000032610620 182650022 /nfs/dbraw/zinc/65/00/22/182650022.db2.gz SYEUEIFMQDVBPY-JTQLQIEISA-N 0 0 306.312 3.856 40 0 DHABRN Cc1cccc(Cn2cc(NC(=O)NC3CCCCC3)cn2)c1 ZINC000032609707 182650210 /nfs/dbraw/zinc/65/02/10/182650210.db2.gz ZJAQXDGKHYPTDG-UHFFFAOYSA-N 0 0 312.417 3.694 40 0 DHABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)C2CCCCC2)CC1 ZINC000100809824 193804806 /nfs/dbraw/zinc/80/48/06/193804806.db2.gz BROSVZDRBMGSTA-GASCZTMLSA-N 0 0 324.465 3.519 40 0 DHABRN CCc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2CC)C1=O ZINC000036635547 182832354 /nfs/dbraw/zinc/83/23/54/182832354.db2.gz YVDASEFPMJRFFF-QGZVFWFLSA-N 0 0 322.408 3.555 40 0 DHABRN Cc1cc(Cl)c2cc(I)ccc2n1 ZINC000037413009 182890095 /nfs/dbraw/zinc/89/00/95/182890095.db2.gz JBHDVNCTTSXFAX-UHFFFAOYSA-N 0 0 303.530 3.801 40 0 DHABRN CC(C)(C)OC(=O)NCc1cccc(-c2ccnc(Cl)n2)c1 ZINC000038580021 183003079 /nfs/dbraw/zinc/00/30/79/183003079.db2.gz JLLPAYINRTUHHY-UHFFFAOYSA-N 0 0 319.792 3.822 40 0 DHABRN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000039897740 183022590 /nfs/dbraw/zinc/02/25/90/183022590.db2.gz GNLYVPZLCABJRH-UHFFFAOYSA-N 0 0 309.365 3.604 40 0 DHABRN Cc1ccc(OC(=O)c2cc(Br)ccc2N)cc1 ZINC000039951698 183022925 /nfs/dbraw/zinc/02/29/25/183022925.db2.gz SKXWWWPZAHFWMX-UHFFFAOYSA-N 0 0 306.159 3.559 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(F)ccc2F)C1 ZINC000039953978 183023608 /nfs/dbraw/zinc/02/36/08/183023608.db2.gz ABBQHTPUOCVASH-GFCCVEGCSA-N 0 0 313.344 3.743 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc3ncccc3c2)C1 ZINC000039954376 183024418 /nfs/dbraw/zinc/02/44/18/183024418.db2.gz ROZBVJBSTMTDKC-OAHLLOKOSA-N 0 0 314.385 3.623 40 0 DHABRN CC(C)(C)c1ccc(-c2nnc(-c3cc(N)cc(N)c3)[nH]2)cc1 ZINC000040169641 183043187 /nfs/dbraw/zinc/04/31/87/183043187.db2.gz ASPZOHUTFWJJTL-UHFFFAOYSA-N 0 0 307.401 3.601 40 0 DHABRN CC(C)(C)c1ccc(OCc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000040169617 183043543 /nfs/dbraw/zinc/04/35/43/183043543.db2.gz RBBZVMVWRMDGQA-UHFFFAOYSA-N 0 0 308.385 3.743 40 0 DHABRN COc1ccc([C@H](O)c2cccc(Br)c2)cc1OC ZINC000040243569 183049476 /nfs/dbraw/zinc/04/94/76/183049476.db2.gz KDCKUIMUXMCYFY-OAHLLOKOSA-N 0 0 323.186 3.548 40 0 DHABRN Cc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1Cl ZINC000040296203 183053022 /nfs/dbraw/zinc/05/30/22/183053022.db2.gz KTYATWSOTSDNLA-UHFFFAOYSA-N 0 0 303.793 3.549 40 0 DHABRN NC(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl ZINC000041127240 183169551 /nfs/dbraw/zinc/16/95/51/183169551.db2.gz ZVOBEAFWAOLONG-UHFFFAOYSA-N 0 0 321.163 3.829 40 0 DHABRN COC(=O)c1ccccc1NC(=O)c1cc2cccc(C)c2o1 ZINC000041306721 183185057 /nfs/dbraw/zinc/18/50/57/183185057.db2.gz DMGJLFQRZRHGLW-UHFFFAOYSA-N 0 0 309.321 3.780 40 0 DHABRN [NH3+][C@@H](CC(=O)[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000044216767 183398467 /nfs/dbraw/zinc/39/84/67/183398467.db2.gz DEDMBDKHYZMPEV-JTQLQIEISA-N 0 0 300.141 3.728 40 0 DHABRN COc1ccc(NC(=O)c2ccccc2OC(C)C)c(OC)c1 ZINC000105940192 194174629 /nfs/dbraw/zinc/17/46/29/194174629.db2.gz QDYKPFALUCMCGZ-UHFFFAOYSA-N 0 0 315.369 3.743 40 0 DHABRN Cc1cc(C)cc(NC(=S)NCCCOC2CCCC2)c1 ZINC000057815729 184055416 /nfs/dbraw/zinc/05/54/16/184055416.db2.gz ODYNLLQGNVVTQR-UHFFFAOYSA-N 0 0 306.475 3.939 40 0 DHABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)cc2C)c1 ZINC000060391486 184148212 /nfs/dbraw/zinc/14/82/12/184148212.db2.gz SXXKQTHZUBUAKZ-UHFFFAOYSA-N 0 0 317.772 3.996 40 0 DHABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2)c(C)c1 ZINC000059351591 184137389 /nfs/dbraw/zinc/13/73/89/184137389.db2.gz ZCFBLUVXCQHFNK-CQSZACIVSA-N 0 0 301.361 3.699 40 0 DHABRN COc1c(Cl)cc(Cl)cc1C(=O)N1CCC(C)CC1 ZINC000059843439 184141543 /nfs/dbraw/zinc/14/15/43/184141543.db2.gz WCZJSVSDYGGRDP-UHFFFAOYSA-N 0 0 302.201 3.874 40 0 DHABRN CC1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000059843241 184141565 /nfs/dbraw/zinc/14/15/65/184141565.db2.gz AMWVAHIQOCXJPD-AATRIKPKSA-N 0 0 308.219 3.721 40 0 DHABRN Cc1cc(C)n(Cc2ccc(C(=O)N3CCCCCC3)cc2)n1 ZINC000061108284 184161673 /nfs/dbraw/zinc/16/16/73/184161673.db2.gz UUFCQAWBGAOIOJ-UHFFFAOYSA-N 0 0 311.429 3.564 40 0 DHABRN COc1cc2[nH+]ccc(Nc3ccc(C(=O)[O-])cc3)c2cc1OC ZINC000062718716 184250804 /nfs/dbraw/zinc/25/08/04/184250804.db2.gz DXRVPSZMDJZGOS-UHFFFAOYSA-N 0 0 324.336 3.694 40 0 DHABRN Cc1ccccc1OC[C@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC000065720109 184377352 /nfs/dbraw/zinc/37/73/52/184377352.db2.gz ITLGQKZWRRIYDN-AWEZNQCLSA-N 0 0 317.816 3.775 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000113960014 194623285 /nfs/dbraw/zinc/62/32/85/194623285.db2.gz FJFCMOSGJXWBGW-MLGOLLRUSA-N 0 0 319.351 4.000 40 0 DHABRN CCCNC(=S)Nc1nc(Cl)cc(Oc2ccccc2)n1 ZINC000225887413 256597729 /nfs/dbraw/zinc/59/77/29/256597729.db2.gz WXCOAAVBPXRXOE-UHFFFAOYSA-N 0 0 322.821 3.619 40 0 DHABRN C[C@@H]1CC[C@H]1COc1cccc(I)c1 ZINC000242648750 257120148 /nfs/dbraw/zinc/12/01/48/257120148.db2.gz RFVHRHWKAUGMAG-ZJUUUORDSA-N 0 0 302.155 3.716 40 0 DHABRN CCCN(CCC)c1ccc(CNC(=O)OC(C)(C)C)cn1 ZINC000072225274 257123545 /nfs/dbraw/zinc/12/35/45/257123545.db2.gz NCMYDVIGLUCQQN-UHFFFAOYSA-N 0 0 307.438 3.733 40 0 DHABRN CN(Cc1ccccc1)c1ccc(C(=O)c2ccccc2)cn1 ZINC000072225366 257123808 /nfs/dbraw/zinc/12/38/08/257123808.db2.gz NBWBSKCDZWWFIV-UHFFFAOYSA-N 0 0 302.377 3.949 40 0 DHABRN COc1cc(C)c([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072218053 257125148 /nfs/dbraw/zinc/12/51/48/257125148.db2.gz SQJNGQNDSOABKT-QGZVFWFLSA-N 0 0 310.397 3.766 40 0 DHABRN CC(C)(C)OC(=O)N(c1ncccc1C1=NCCC1)C1CC1 ZINC000072215363 257126726 /nfs/dbraw/zinc/12/67/26/257126726.db2.gz MSVUWPIGMBJWEN-UHFFFAOYSA-N 0 0 301.390 3.568 40 0 DHABRN CCN(CC)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212893 257127275 /nfs/dbraw/zinc/12/72/75/257127275.db2.gz NHCDBCAYXFLACM-HNNXBMFYSA-N 0 0 319.449 4.000 40 0 DHABRN CN(C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072212625 257127380 /nfs/dbraw/zinc/12/73/80/257127380.db2.gz CBHZBXPXYAJSDZ-AWEZNQCLSA-N 0 0 305.422 3.610 40 0 DHABRN COC(=O)/C=C/c1ccc(OCc2ccc(C)c(OC)c2)cc1 ZINC000062715703 257128861 /nfs/dbraw/zinc/12/88/61/257128861.db2.gz KVMUBKDIJXKSEF-DHZHZOJOSA-N 0 0 312.365 3.769 40 0 DHABRN COc1cccc(-c2nnc(CNc3ccc(Cl)cc3)[nH]2)c1 ZINC000040174519 257129854 /nfs/dbraw/zinc/12/98/54/257129854.db2.gz QHUFRDGZWCPTBS-UHFFFAOYSA-N 0 0 314.776 3.746 40 0 DHABRN Clc1cccc(OCc2nc(-c3cccnc3)n[nH]2)c1Cl ZINC000034925898 257130108 /nfs/dbraw/zinc/13/01/08/257130108.db2.gz FHQLJKXYQZMHEK-UHFFFAOYSA-N 0 0 321.167 3.753 40 0 DHABRN CC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](O)CO ZINC000514287818 257216443 /nfs/dbraw/zinc/21/64/43/257216443.db2.gz CMKZRSCSOAUETD-YJVHEOQMSA-N 0 0 324.461 3.692 40 0 biogenic,in-vitro DHABRN CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000059227309 257217349 /nfs/dbraw/zinc/21/73/49/257217349.db2.gz DQLWIBXWEJENDK-INIZCTEOSA-N 0 0 322.408 3.549 40 0 DHABRN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000038609622 257217483 /nfs/dbraw/zinc/21/74/83/257217483.db2.gz MQKCILYFKAJWDB-DTMQFJJTSA-N 0 0 302.458 3.837 40 0 DHABRN COc1ccc(OCCCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000003611264 257219150 /nfs/dbraw/zinc/21/91/50/257219150.db2.gz RILAGOXCYPHCBQ-UHFFFAOYSA-N 0 0 321.323 3.771 40 0 DHABRN CCCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OCC ZINC000409305323 257220141 /nfs/dbraw/zinc/22/01/41/257220141.db2.gz VMFJWXBGOBNCKR-UVTDQMKNSA-N 0 0 321.398 3.540 40 0 DHABRN COC(=O)c1cccc2c1N[C@@H](c1ccccc1)[C@H]1CCO[C@@H]21 ZINC000409190228 257221135 /nfs/dbraw/zinc/22/11/35/257221135.db2.gz QEFMXFDUYNAWMP-HFTRVMKXSA-N 0 0 309.365 3.718 40 0 DHABRN COc1ccc(N(C)C(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000409189945 257221499 /nfs/dbraw/zinc/22/14/99/257221499.db2.gz OCJHSZVKMCCETL-UHFFFAOYSA-N 0 0 312.394 3.890 40 0 DHABRN COc1ccc(N(C)C(=O)c2ccc3sc(C)nc3c2)cc1 ZINC000408978598 257224641 /nfs/dbraw/zinc/22/46/41/257224641.db2.gz NBAIJXYFYCDKAK-UHFFFAOYSA-N 0 0 312.394 3.890 40 0 DHABRN Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1 ZINC000408708437 257227899 /nfs/dbraw/zinc/22/78/99/257227899.db2.gz HZJWRFBOCKIKDJ-UHFFFAOYSA-N 0 0 324.424 3.682 40 0 DHABRN CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2ccccc21 ZINC000408712985 257228058 /nfs/dbraw/zinc/22/80/58/257228058.db2.gz FBYWADMUPUCZTJ-UHFFFAOYSA-N 0 0 320.392 3.891 40 0 DHABRN CCOc1ccc(CNC(=O)c2ccc(F)cc2)cc1OCC ZINC000408678292 257228591 /nfs/dbraw/zinc/22/85/91/257228591.db2.gz FBJIOYOWKJWULA-UHFFFAOYSA-N 0 0 317.360 3.553 40 0 DHABRN COc1ccccc1C(=O)Oc1ccc(-c2ccc(F)cc2)nn1 ZINC000408531673 257230185 /nfs/dbraw/zinc/23/01/85/257230185.db2.gz WLGSLGQCFJTTFN-UHFFFAOYSA-N 0 0 324.311 3.511 40 0 DHABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(F)cc1 ZINC000020138200 257213355 /nfs/dbraw/zinc/21/33/55/257213355.db2.gz LAQHBNLFKWIOQH-UHFFFAOYSA-N 0 0 311.312 3.830 40 0 DHABRN S=C(c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001730957 134446910 /nfs/dbraw/zinc/44/69/10/134446910.db2.gz IYMHQTNBCXLRBV-UHFFFAOYSA-N 0 0 322.886 3.899 40 0 DHABRN COC(=O)[C@](C)(NCCc1cccs1)c1ccccc1Cl ZINC000095934227 563531655 /nfs/dbraw/zinc/53/16/55/563531655.db2.gz KPLFVCUXCNFRSQ-MRXNPFEDSA-N 0 0 323.845 3.622 40 0 DHABRN CCc1ccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000131762183 196196518 /nfs/dbraw/zinc/19/65/18/196196518.db2.gz VRSCSRWFRQGRQO-UHFFFAOYSA-N 0 0 322.408 3.557 40 0 DHABRN CC1(C)CC(=O)C2=C(c3ccc(Cl)cc3Cl)NN[C@H]2C1 ZINC000228929527 262505202 /nfs/dbraw/zinc/50/52/02/262505202.db2.gz QFJQQOZTBPMASU-AAEUAGOBSA-N 0 0 311.212 3.675 40 0 DHABRN CCOC(=O)c1ccc(OC(=O)Nc2ccc(F)cc2)cc1 ZINC000000399799 331461912 /nfs/dbraw/zinc/46/19/12/331461912.db2.gz XZNACTVGFPEUIO-UHFFFAOYSA-N 0 0 303.289 3.613 40 0 DHABRN COc1ccc(-c2nnc(-c3c(C)nc4cc(C)ccn43)o2)cc1 ZINC000216612163 333388833 /nfs/dbraw/zinc/38/88/33/333388833.db2.gz MDSMIRMLTPQEQJ-UHFFFAOYSA-N 0 0 320.352 3.677 40 0 DHABRN CC[C@@H](C(=O)OC)N1c2cc(OC)ccc2[C@H](C)CC1(C)C ZINC000260624914 333463404 /nfs/dbraw/zinc/46/34/04/333463404.db2.gz WNLXXISROXROMF-DOMZBBRYSA-N 0 0 305.418 3.739 40 0 DHABRN Cc1cnc([C@H](C)NCc2cn(C)nc2C2CCCCC2)o1 ZINC000328771330 334753388 /nfs/dbraw/zinc/75/33/88/334753388.db2.gz GXLDZXFVUQOXOM-ZDUSSCGKSA-N 0 0 302.422 3.615 40 0 DHABRN Brc1ccc(-c2nc([C@H]3CCCCCN3)no2)cc1 ZINC000135966936 340525417 /nfs/dbraw/zinc/52/54/17/340525417.db2.gz ZQDHULZPVNNEFS-GFCCVEGCSA-N 0 0 322.206 3.704 40 0 DHABRN Fc1cccc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1 ZINC000138477032 340546106 /nfs/dbraw/zinc/54/61/06/340546106.db2.gz WLDVOMONSAGNJX-UHFFFAOYSA-N 0 0 307.760 3.762 40 0 DHABRN O=C(CN1Cc2ccccc2C1)Nc1cccc(C(F)(F)F)c1 ZINC000106303756 526821859 /nfs/dbraw/zinc/82/18/59/526821859.db2.gz ZXNKMFYOWWPVSM-UHFFFAOYSA-N 0 0 320.314 3.660 40 0 DHABRN C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1Cl ZINC000014396653 563667774 /nfs/dbraw/zinc/66/77/74/563667774.db2.gz CINKSXXUFURHQC-NSHDSACASA-N 0 0 307.752 3.563 40 0 DHABRN Cc1ccc(S(=O)(=O)n2ccc3c2cccc3Cl)cc1 ZINC000136933537 563923482 /nfs/dbraw/zinc/92/34/82/563923482.db2.gz NDOGSZQEUDSEAI-UHFFFAOYSA-N 0 0 305.786 3.840 40 0 DHABRN CSc1ccccc1NS(=O)(=O)c1cc(C)ccc1C ZINC000007056641 563336743 /nfs/dbraw/zinc/33/67/43/563336743.db2.gz YHEOLYTYCVZSNT-UHFFFAOYSA-N 0 0 307.440 3.826 40 0 DHABRN CCOC(=O)c1c(C)c2c(ncnc2Cl)n1-c1ccccc1 ZINC000000153243 563225052 /nfs/dbraw/zinc/22/50/52/563225052.db2.gz CSIMHLZSLGNDHX-UHFFFAOYSA-N 0 0 315.760 3.559 40 0 DHABRN COc1ccc(NC(=O)c2cccs2)cc1Br ZINC000000570559 563267291 /nfs/dbraw/zinc/26/72/91/563267291.db2.gz WZKPGCYNUWVLSC-UHFFFAOYSA-N 0 0 312.188 3.772 40 0 DHABRN Cc1ccc(NC(=O)[C@]23CC[C@](C)([C@H](O)C2)C3(C)C)cc1C ZINC000001020477 563275456 /nfs/dbraw/zinc/27/54/56/563275456.db2.gz NBKTZKPRHJRMLH-LZQZEXGQSA-N 0 0 301.430 3.819 40 0 DHABRN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)nc1 ZINC000001353241 563281429 /nfs/dbraw/zinc/28/14/29/563281429.db2.gz WXVMKMHSGQUIKS-UHFFFAOYSA-N 0 0 317.776 3.582 40 0 DHABRN CCCCOc1ccc(NC(=O)Nc2nnc(C)s2)cc1 ZINC000001573541 563285789 /nfs/dbraw/zinc/28/57/89/563285789.db2.gz WYTFJWMVVMVXHS-UHFFFAOYSA-N 0 0 306.391 3.669 40 0 DHABRN CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000001611200 563287677 /nfs/dbraw/zinc/28/76/77/563287677.db2.gz DUHMBCNBIOMFLR-UHFFFAOYSA-N 0 0 321.380 3.832 40 0 DHABRN CCC(=O)c1ccc(OC)c(OC)c1OCc1ccccc1 ZINC000001644015 563288824 /nfs/dbraw/zinc/28/88/24/563288824.db2.gz LWGIDGWAQKBRAB-UHFFFAOYSA-N 0 0 300.354 3.876 40 0 DHABRN O[C@H]1C[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 ZINC000001697540 563291983 /nfs/dbraw/zinc/29/19/83/563291983.db2.gz AIQYEQPOBADLFA-BDTNDASRSA-N 0 0 314.384 3.969 40 0 DHABRN COC(=O)[C@H]1C(=O)c2ccccc2[C@H](C)[C@@H]1c1ccccc1C ZINC000001691200 563292045 /nfs/dbraw/zinc/29/20/45/563292045.db2.gz RJIJKMUULKLTHQ-MORSLUCNSA-N 0 0 308.377 3.868 40 0 DHABRN COC(=O)[C@H]1C[C@H]2C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000001727606 563293828 /nfs/dbraw/zinc/29/38/28/563293828.db2.gz RMGMMNIDJJIAOL-FXLGRURVSA-N 0 0 324.418 3.650 40 0 DHABRN O=C1S[C@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1 ZINC000002488725 563304380 /nfs/dbraw/zinc/30/43/80/563304380.db2.gz UJSRQXOUNFONJB-ZDUSSCGKSA-N 0 0 318.785 3.978 40 0 DHABRN COC(=O)c1c(N)scc1-c1cccc(Br)c1 ZINC000002576734 563309916 /nfs/dbraw/zinc/30/99/16/563309916.db2.gz PGCPOLOOWSKCFM-UHFFFAOYSA-N 0 0 312.188 3.546 40 0 DHABRN O=C(COc1cccc2ccccc21)NCc1ccc(F)cc1 ZINC000003386268 563325381 /nfs/dbraw/zinc/32/53/81/563325381.db2.gz DAKCOJBOHSMOFK-UHFFFAOYSA-N 0 0 309.340 3.674 40 0 DHABRN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1C[C@H]1CC(=O)O[C@@H]12 ZINC000005758093 563331255 /nfs/dbraw/zinc/33/12/55/563331255.db2.gz WMPILWCYEKVIBD-PUDAYMCYSA-N 0 0 314.425 3.670 40 0 DHABRN S=C(NCCSc1ccc(Cl)cc1)Nc1cccnc1 ZINC000007369870 563337818 /nfs/dbraw/zinc/33/78/18/563337818.db2.gz ZRZWCOHWNRJPLQ-UHFFFAOYSA-N 0 0 323.874 3.814 40 0 DHABRN COc1ccc(SCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000007294706 563337848 /nfs/dbraw/zinc/33/78/48/563337848.db2.gz FOGNCTKJVKZYGR-UHFFFAOYSA-N 0 0 309.337 3.704 40 0 DHABRN CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(F)cc1 ZINC000007278658 563337876 /nfs/dbraw/zinc/33/78/76/563337876.db2.gz BMBBGFICGQSIOT-UHFFFAOYSA-N 0 0 315.388 3.818 40 0 DHABRN CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 ZINC000007643883 563340016 /nfs/dbraw/zinc/34/00/16/563340016.db2.gz BAVFDOFUNOLSNY-UHFFFAOYSA-N 0 0 324.424 3.624 40 0 DHABRN COc1ccccc1CNC(=O)CCSCc1ccccc1 ZINC000007685649 563340705 /nfs/dbraw/zinc/34/07/05/563340705.db2.gz VIWMRGUYZJRNAZ-UHFFFAOYSA-N 0 0 315.438 3.635 40 0 DHABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000007951384 563343191 /nfs/dbraw/zinc/34/31/91/563343191.db2.gz FVIHABRDHQXMKA-UHFFFAOYSA-N 0 0 310.397 3.613 40 0 DHABRN COc1ccc(CN(C)C(=O)CSc2ccc(C)cc2)cc1 ZINC000007871767 563343529 /nfs/dbraw/zinc/34/35/29/563343529.db2.gz IBNGPWDMBMXREY-UHFFFAOYSA-N 0 0 315.438 3.754 40 0 DHABRN Nc1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 ZINC000008419626 563347424 /nfs/dbraw/zinc/34/74/24/563347424.db2.gz AIIGVAJXWUCFOI-UHFFFAOYSA-N 0 0 307.425 3.768 40 0 DHABRN Cc1cc([C@H]2CCCCCN2C(=O)c2cccc(F)c2)on1 ZINC000012133857 563362339 /nfs/dbraw/zinc/36/23/39/563362339.db2.gz KWUJEXISQOLWHX-OAHLLOKOSA-N 0 0 302.349 3.880 40 0 DHABRN COc1ccc(C=CCNc2n[nH]c3nc(C)cc(C)c23)cc1 ZINC000012143048 563362491 /nfs/dbraw/zinc/36/24/91/563362491.db2.gz LAFGFPSGLMADHR-SNAWJCMRSA-N 0 0 308.385 3.709 40 0 DHABRN Cc1c2cc(C)ccc2n(C)c1C(=O)NCCCc1ccccn1 ZINC000012148610 563363392 /nfs/dbraw/zinc/36/33/92/563363392.db2.gz YSXJMPYRYJRVMA-UHFFFAOYSA-N 0 0 321.424 3.553 40 0 DHABRN Cc1cc(-c2cnc(N3CCCCCC3)nc2C(C)C)on1 ZINC000012186869 563363679 /nfs/dbraw/zinc/36/36/79/563363679.db2.gz JNVWCYPIOPMJQV-UHFFFAOYSA-N 0 0 300.406 3.944 40 0 DHABRN O=C(c1cccnc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000012188059 563363873 /nfs/dbraw/zinc/36/38/73/563363873.db2.gz DJTSBVRRRNDOBM-GOSISDBHSA-N 0 0 317.392 3.650 40 0 DHABRN COc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)C(=O)O3 ZINC000012222657 563364725 /nfs/dbraw/zinc/36/47/25/563364725.db2.gz PDJBKHXOUGWNOX-UHFFFAOYSA-N 0 0 320.348 3.758 40 0 DHABRN CCOCCCN1Cc2cc3cccc(CC)c3nc2OC1=O ZINC000012236818 563365608 /nfs/dbraw/zinc/36/56/08/563365608.db2.gz PYGPCGHCIIFUGT-UHFFFAOYSA-N 0 0 314.385 3.538 40 0 DHABRN CCCCSc1nc2c([nH]1)n(C)c(=S)n(C)c2=S ZINC000013284946 563380053 /nfs/dbraw/zinc/38/00/53/563380053.db2.gz CAQUOAQDZQHIDT-UHFFFAOYSA-N 0 0 300.478 3.591 40 0 DHABRN CCc1ncc([C@](C)(O)c2ccccc2)n1Cc1ccccc1 ZINC000013281767 563380188 /nfs/dbraw/zinc/38/01/88/563380188.db2.gz MGJWEHDRICUGFI-HXUWFJFHSA-N 0 0 306.409 3.750 40 0 DHABRN Cc1ccc(Cc2c(C)nc(Nc3ccc(F)cc3)[nH]c2=O)cc1 ZINC000013637074 563384165 /nfs/dbraw/zinc/38/41/65/563384165.db2.gz RVQTUARJRIRILY-UHFFFAOYSA-N 0 0 323.371 3.860 40 0 DHABRN COc1ccccc1C(=O)NCCCc1ccccc1Cl ZINC000013669619 563385019 /nfs/dbraw/zinc/38/50/19/563385019.db2.gz GWZUMPNORLJHDG-UHFFFAOYSA-N 0 0 303.789 3.711 40 0 DHABRN Cc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000013673883 563385677 /nfs/dbraw/zinc/38/56/77/563385677.db2.gz UEECDEKHUYJDTQ-UHFFFAOYSA-N 0 0 323.845 3.560 40 0 DHABRN O=S(=O)(NCCC1CCCCCC1)c1ccc(Cl)cc1 ZINC000013673226 563385777 /nfs/dbraw/zinc/38/57/77/563385777.db2.gz RCPORUWSGNNYEL-UHFFFAOYSA-N 0 0 315.866 3.979 40 0 DHABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1 ZINC000013710722 563386903 /nfs/dbraw/zinc/38/69/03/563386903.db2.gz UPXIMEBQYQCEPG-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN COc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1 ZINC000013932632 563392687 /nfs/dbraw/zinc/39/26/87/563392687.db2.gz MNKMMTDIFWOCTP-LLVKDONJSA-N 0 0 304.390 3.882 40 0 DHABRN C[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000014604998 563401706 /nfs/dbraw/zinc/40/17/06/563401706.db2.gz PZKVKTFZFULMGA-ZDUSSCGKSA-N 0 0 303.789 3.639 40 0 DHABRN COc1ccc(CSc2nc3cc(OC)ccc3[nH]2)cc1 ZINC000014704729 563402921 /nfs/dbraw/zinc/40/29/21/563402921.db2.gz JBCWMHNPQOASMF-UHFFFAOYSA-N 0 0 300.383 3.872 40 0 DHABRN CC(C)(C)OC(=O)NCc1ccc(F)c(Br)c1 ZINC000014982260 563404322 /nfs/dbraw/zinc/40/43/22/563404322.db2.gz WPXFKOSNDNRKIL-UHFFFAOYSA-N 0 0 304.159 3.613 40 0 DHABRN Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000015139434 563407555 /nfs/dbraw/zinc/40/75/55/563407555.db2.gz XBCTVDPELWEDKK-UHFFFAOYSA-N 0 0 303.789 3.766 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1C ZINC000015366680 563409548 /nfs/dbraw/zinc/40/95/48/563409548.db2.gz YAMQUNVPHJAOOK-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c1C ZINC000015366681 563409685 /nfs/dbraw/zinc/40/96/85/563409685.db2.gz YAMQUNVPHJAOOK-LBPRGKRZSA-N 0 0 305.324 3.988 40 0 DHABRN Cc1cc(C)c(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000016267165 563411396 /nfs/dbraw/zinc/41/13/96/563411396.db2.gz ORLXTGRTPBABNN-BOPFTXTBSA-N 0 0 306.365 3.709 40 0 DHABRN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 ZINC000026754560 563426807 /nfs/dbraw/zinc/42/68/07/563426807.db2.gz DZTOLFTWRJJYKS-KBPBESRZSA-N 0 0 301.361 3.513 40 0 DHABRN CCOc1ccc(CCC(=O)N2CCCCCC2)cc1OCC ZINC000030755062 563438032 /nfs/dbraw/zinc/43/80/32/563438032.db2.gz FFVAHXXPRDEDRB-UHFFFAOYSA-N 0 0 319.445 3.819 40 0 DHABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccnc1 ZINC000030756155 563438292 /nfs/dbraw/zinc/43/82/92/563438292.db2.gz HOOGOZRWCQLSFG-SFHVURJKSA-N 0 0 320.392 3.709 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)N(C)C2CCCCC2)cc1 ZINC000030848684 563438876 /nfs/dbraw/zinc/43/88/76/563438876.db2.gz NMXPQJHJMVSJIJ-ZDUSSCGKSA-N 0 0 307.459 3.967 40 0 DHABRN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000030847731 563439015 /nfs/dbraw/zinc/43/90/15/563439015.db2.gz XSRRGPISDLXTPK-MRXNPFEDSA-N 0 0 317.454 3.792 40 0 DHABRN CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000030863527 563439487 /nfs/dbraw/zinc/43/94/87/563439487.db2.gz PWBUVHJXVPPRCJ-MRXNPFEDSA-N 0 0 323.845 3.911 40 0 DHABRN C[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000031719433 563440460 /nfs/dbraw/zinc/44/04/60/563440460.db2.gz RUSXYSPNUUXXDR-QFBILLFUSA-N 0 0 309.409 3.579 40 0 in-vitro DHABRN COc1ccc(Cl)cc1/C=C1\SC(=O)N(C(C)C)C1=O ZINC000032109765 563442132 /nfs/dbraw/zinc/44/21/32/563442132.db2.gz FAYYREFSHZGFLJ-GHXNOFRVSA-N 0 0 311.790 3.793 40 0 DHABRN Cc1ccccc1[C@H](C)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000032689699 563443346 /nfs/dbraw/zinc/44/33/46/563443346.db2.gz ZKVXSIRXCMGNRC-KRWDZBQOSA-N 0 0 323.436 3.921 40 0 DHABRN CCc1ccccc1N1C(=O)C[C@H](Nc2cc(C)ccc2C)C1=O ZINC000036635542 563456436 /nfs/dbraw/zinc/45/64/36/563456436.db2.gz KCCDTHIYPFATQG-KRWDZBQOSA-N 0 0 322.408 3.610 40 0 DHABRN CCCCN1C(=O)SC(=CNc2ccc(OCC)cc2)C1=O ZINC000036636204 563456452 /nfs/dbraw/zinc/45/64/52/563456452.db2.gz SNWMFDWQKSKIPA-KAMYIIQDSA-N 0 0 320.414 3.834 40 0 DHABRN CCOc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 ZINC000074957483 563459592 /nfs/dbraw/zinc/45/95/92/563459592.db2.gz NQUFKVGXQGDDCG-UHFFFAOYSA-N 0 0 309.369 3.533 40 0 DHABRN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N(Cc1nccn1C(F)F)C1CC1 ZINC000076368971 563459633 /nfs/dbraw/zinc/45/96/33/563459633.db2.gz JIOSXHAYTZXQQE-XQQFMLRXSA-N 0 0 323.387 3.596 40 0 DHABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccccc1 ZINC000044840622 563462556 /nfs/dbraw/zinc/46/25/56/563462556.db2.gz BADVUSGQLDWIIT-GOSISDBHSA-N 0 0 311.425 3.820 40 0 DHABRN COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000044818645 563462575 /nfs/dbraw/zinc/46/25/75/563462575.db2.gz JKBWGMDEHDOGSM-CQSZACIVSA-N 0 0 315.438 3.834 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)C1CCCCC1 ZINC000044884445 563463096 /nfs/dbraw/zinc/46/30/96/563463096.db2.gz RZDDEUGESXMKAX-KRWDZBQOSA-N 0 0 305.418 3.644 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1Cl ZINC000044881026 563463199 /nfs/dbraw/zinc/46/31/99/563463199.db2.gz DMBLVMVKMRVJGF-INIZCTEOSA-N 0 0 321.779 3.953 40 0 DHABRN CC(C)Oc1cccc(CNC(=O)CSc2ccccc2)c1 ZINC000046655510 563465767 /nfs/dbraw/zinc/46/57/67/563465767.db2.gz NSOPVSHODCKUGR-UHFFFAOYSA-N 0 0 315.438 3.882 40 0 DHABRN COc1cccc(Nc2cc(N)nc(-c3ccccc3F)n2)c1 ZINC000049467854 563467716 /nfs/dbraw/zinc/46/77/16/563467716.db2.gz FATSAUDMEIOUMP-UHFFFAOYSA-N 0 0 310.332 3.617 40 0 DHABRN CCS(=O)(=O)c1cc[nH]c1-c1ccc(Cl)cc1Cl ZINC000096532721 563486431 /nfs/dbraw/zinc/48/64/31/563486431.db2.gz QZCDSGODNDMUKQ-UHFFFAOYSA-N 0 0 304.198 3.782 40 0 DHABRN Cc1nc2ccc(C)cn2c1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000071459161 563499960 /nfs/dbraw/zinc/49/99/60/563499960.db2.gz ZXWVGKFRHQBTKO-UHFFFAOYSA-N 0 0 317.751 3.996 40 0 DHABRN NC(=O)c1c(Cl)nsc1-c1cc(Cl)cc(Cl)c1 ZINC000035973674 563502587 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DHABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000020460574 182220251 /nfs/dbraw/zinc/22/02/51/182220251.db2.gz ISGDGJQCRWMSEH-SFHVURJKSA-N 0 0 320.392 3.709 40 0 DHABRN Cc1cccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000020458123 182220263 /nfs/dbraw/zinc/22/02/63/182220263.db2.gz QBRMTEIENOOFPH-ZDUSSCGKSA-N 0 0 303.789 3.732 40 0 DHABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000020494130 182224368 /nfs/dbraw/zinc/22/43/68/182224368.db2.gz JWINSIOABDGTJA-HNNXBMFYSA-N 0 0 315.388 3.835 40 0 DHABRN COc1ccccc1CN(C)C(=O)CSCc1ccccc1 ZINC000020495127 182224520 /nfs/dbraw/zinc/22/45/20/182224520.db2.gz PCZWMTZWLMFBIM-UHFFFAOYSA-N 0 0 315.438 3.587 40 0 DHABRN Cc1cccc(C(=O)Nc2ccc(Br)cc2N)c1 ZINC000020520920 182226522 /nfs/dbraw/zinc/22/65/22/182226522.db2.gz LQKIIAOBNBYBGN-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000020919403 182253795 /nfs/dbraw/zinc/25/37/95/182253795.db2.gz WTASVVBKKUHQOW-UHFFFAOYSA-N 0 0 309.409 3.846 40 0 DHABRN COc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000021999586 182303034 /nfs/dbraw/zinc/30/30/34/182303034.db2.gz MIHASGMYIDYJEQ-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN C[C@]([NH2+]CCc1cccs1)(C(=O)[O-])c1ccccc1Cl ZINC000022116235 182309488 /nfs/dbraw/zinc/30/94/88/182309488.db2.gz FQGRUDPKXRQARQ-OAHLLOKOSA-N 0 0 309.818 3.534 40 0 DHABRN COc1ccc(-n2nc(Cl)nc2-c2ccccc2OC)cc1 ZINC000022125932 182310070 /nfs/dbraw/zinc/31/00/70/182310070.db2.gz FWGKEMYVZPVTRK-UHFFFAOYSA-N 0 0 315.760 3.605 40 0 DHABRN Cc1cc(C)nc(-n2nc(-c3ccccc3Cl)nc2Cl)n1 ZINC000022125587 182310106 /nfs/dbraw/zinc/31/01/06/182310106.db2.gz RHGXTNFAXOKELI-UHFFFAOYSA-N 0 0 320.183 3.648 40 0 DHABRN Cc1cccc(C)c1NC(=O)c1cn(C)c2ccc(F)cc2c1=O ZINC000022236224 182314320 /nfs/dbraw/zinc/31/43/20/182314320.db2.gz SWZBOKCNMUXUIH-UHFFFAOYSA-N 0 0 324.355 3.547 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C)c1 ZINC000022511807 182324093 /nfs/dbraw/zinc/32/40/93/182324093.db2.gz CMORDCWBRKKHGV-QGZVFWFLSA-N 0 0 301.361 3.608 40 0 DHABRN COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000022529210 182325072 /nfs/dbraw/zinc/32/50/72/182325072.db2.gz VFKVDUSNJPETLC-LSDHHAIUSA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccc(CN(C)C(=O)c2cc(Cl)ccc2OC)cc1 ZINC000023602852 182363969 /nfs/dbraw/zinc/36/39/69/182363969.db2.gz WQLICZAPAMTUND-UHFFFAOYSA-N 0 0 319.788 3.629 40 0 DHABRN O=C1S/C(=C/c2cccs2)C(=O)N1c1cccc(O)c1 ZINC000026895157 182457300 /nfs/dbraw/zinc/45/73/00/182457300.db2.gz CPTJUWSHVPCALW-XYOKQWHBSA-N 0 0 303.364 3.695 40 0 DHABRN CCOc1ccc([C@@H](C)NC(=O)COc2ccccc2C)cc1 ZINC000027122009 182463771 /nfs/dbraw/zinc/46/37/71/182463771.db2.gz OITOBZKYNKFKHD-OAHLLOKOSA-N 0 0 313.397 3.650 40 0 DHABRN CCN(CC)c1nc2c(cnn2C)c(Nc2cc(C)ccc2C)n1 ZINC000027666470 182487192 /nfs/dbraw/zinc/48/71/92/182487192.db2.gz IEHVEPNQXKOLAZ-UHFFFAOYSA-N 0 0 324.432 3.570 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)CCc1ccccc1F ZINC000032571370 182648445 /nfs/dbraw/zinc/64/84/45/182648445.db2.gz XBFILJZITFDGIM-CYBMUJFWSA-N 0 0 301.361 3.644 40 0 DHABRN C[C@H](Oc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000036719055 182836998 /nfs/dbraw/zinc/83/69/98/182836998.db2.gz BAVDNODZVWMWFS-LBPRGKRZSA-N 0 0 323.314 3.789 40 0 DHABRN CC(C)n1cnc2c1nc(Cl)nc2Nc1ccc(F)cc1 ZINC000038580012 183003109 /nfs/dbraw/zinc/00/31/09/183003109.db2.gz NLDAKQGAEBXLIU-UHFFFAOYSA-N 0 0 305.744 3.943 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccccn1 ZINC000038580657 183003684 /nfs/dbraw/zinc/00/36/84/183003684.db2.gz JOMTUVGPHZIZHO-AWEZNQCLSA-N 0 0 314.389 3.544 40 0 DHABRN COc1ccc(C)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000038849474 183010949 /nfs/dbraw/zinc/01/09/49/183010949.db2.gz OPFBWWWDINSMAT-UHFFFAOYSA-N 0 0 321.380 3.501 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc3ncccc3c2)C1 ZINC000039954375 183024224 /nfs/dbraw/zinc/02/42/24/183024224.db2.gz ROZBVJBSTMTDKC-HNNXBMFYSA-N 0 0 314.385 3.623 40 0 DHABRN Fc1cccc(Nc2nc(Cl)ncc2Br)c1 ZINC000039957245 183025362 /nfs/dbraw/zinc/02/53/62/183025362.db2.gz PAJSKFKDJXBWIQ-UHFFFAOYSA-N 0 0 302.534 3.775 40 0 DHABRN CCOc1ccc([C@@H](O)c2ccc(Br)cc2)cc1 ZINC000040243362 183049385 /nfs/dbraw/zinc/04/93/85/183049385.db2.gz FKRMRASOLCHADC-HNNXBMFYSA-N 0 0 307.187 3.930 40 0 DHABRN O=C(Nc1cccc2ccccc21)c1cnc2ccccc2c1O ZINC000040176870 183044268 /nfs/dbraw/zinc/04/42/68/183044268.db2.gz UQNLIGRDBMYSGB-UHFFFAOYSA-N 0 0 314.344 3.934 40 0 DHABRN Cc1cccc(C)c1NC(=O)c1ccc(Br)c(N)c1 ZINC000040294990 183052200 /nfs/dbraw/zinc/05/22/00/183052200.db2.gz BCBQSAAXSVGSAC-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN CCOP(=O)(OCC)C(F)P(=O)(OCC)OCC ZINC000040448584 183068262 /nfs/dbraw/zinc/06/82/62/183068262.db2.gz CUUFRGSKZDJQKW-UHFFFAOYSA-N 0 0 306.207 3.772 40 0 DHABRN COc1ccc(CCC(=O)NC(C)(C)Cc2ccccc2)cc1 ZINC000040621106 183109553 /nfs/dbraw/zinc/10/95/53/183109553.db2.gz HGJJAEGFMUYCOJ-UHFFFAOYSA-N 0 0 311.425 3.765 40 0 DHABRN COc1cccc(OCC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000040946502 183149726 /nfs/dbraw/zinc/14/97/26/183149726.db2.gz FFSKVJPAXSFFPD-UHFFFAOYSA-N 0 0 305.761 3.675 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000040946051 183149830 /nfs/dbraw/zinc/14/98/30/183149830.db2.gz AQXZBYBDMNTXCH-LLVKDONJSA-N 0 0 305.761 3.755 40 0 DHABRN Cc1ccc2oc(=O)c(C(=O)Nc3cc(C)cc(C)c3)cc2c1 ZINC000040955680 183151480 /nfs/dbraw/zinc/15/14/80/183151480.db2.gz LQLUAXVECOARTB-UHFFFAOYSA-N 0 0 307.349 3.971 40 0 DHABRN Cc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)o1 ZINC000041076804 183164198 /nfs/dbraw/zinc/16/41/98/183164198.db2.gz RFJXSTUBFHFVGG-MRVPVSSYSA-N 0 0 300.383 3.678 40 0 DHABRN O=C(c1ccc(-c2ccccc2Br)o1)N1CCCC1 ZINC000041127320 183169514 /nfs/dbraw/zinc/16/95/14/183169514.db2.gz PJYSFBOOSWVEKE-UHFFFAOYSA-N 0 0 320.186 3.945 40 0 DHABRN COC(=O)Cc1ccc(-c2nc3ccccc3o2)cc1Cl ZINC000041127255 183169659 /nfs/dbraw/zinc/16/96/59/183169659.db2.gz GDENSEGKFMXXCO-UHFFFAOYSA-N 0 0 301.729 3.864 40 0 DHABRN CCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000044006983 183391960 /nfs/dbraw/zinc/39/19/60/183391960.db2.gz SEASRWRLYITQBT-UHFFFAOYSA-N 0 0 310.328 3.897 40 0 DHABRN CCc1ccc([C@@H](C)NC(=O)COc2cccc(OC)c2)cc1 ZINC000044508808 183416742 /nfs/dbraw/zinc/41/67/42/183416742.db2.gz ADAVWYWTEJZPPK-CQSZACIVSA-N 0 0 313.397 3.514 40 0 DHABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000044902664 183453211 /nfs/dbraw/zinc/45/32/11/183453211.db2.gz MSSSKBVFBHALDD-OAHLLOKOSA-N 0 0 321.779 3.953 40 0 DHABRN CCc1cc(N)cc(C)c1NC(=O)COc1cccc(C)c1C ZINC000045890180 183534436 /nfs/dbraw/zinc/53/44/36/183534436.db2.gz NTZKBRWKHSVJBD-UHFFFAOYSA-N 0 0 312.413 3.774 40 0 DHABRN CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000046664563 183566089 /nfs/dbraw/zinc/56/60/89/183566089.db2.gz FYSSDTKMOQZXNJ-OAHLLOKOSA-N 0 0 313.397 3.558 40 0 DHABRN COc1ccc(CN(C)C(=O)c2ccccc2OC(C)C)cc1 ZINC000105941331 194174398 /nfs/dbraw/zinc/17/43/98/194174398.db2.gz ITMXKECWZWVLLH-UHFFFAOYSA-N 0 0 313.397 3.755 40 0 DHABRN CCOC(=O)Cc1csc(Nc2ccc(C)c(Cl)c2)n1 ZINC000105999911 194178023 /nfs/dbraw/zinc/17/80/23/194178023.db2.gz VGADLCRYTFHNNK-UHFFFAOYSA-N 0 0 310.806 3.954 40 0 DHABRN COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1OC ZINC000049750482 183757589 /nfs/dbraw/zinc/75/75/89/183757589.db2.gz AZINRUBPBMBELQ-UHFFFAOYSA-N 0 0 313.397 3.911 40 0 DHABRN Cc1cc(C)c(OCC(=O)Nc2ccc(C)c(N)c2)c(Cl)c1 ZINC000057340543 184033695 /nfs/dbraw/zinc/03/36/95/184033695.db2.gz ZWGIMDHFOVRIBE-UHFFFAOYSA-N 0 0 318.804 3.865 40 0 DHABRN S=C(NCCCOC1CCCC1)Nc1ccccc1Cl ZINC000057815618 184055558 /nfs/dbraw/zinc/05/55/58/184055558.db2.gz VZNWYZCRQYOWLU-UHFFFAOYSA-N 0 0 312.866 3.976 40 0 DHABRN Cc1ccc(CSCCNC(=O)NC2CCCCC2)cc1 ZINC000060845121 184156371 /nfs/dbraw/zinc/15/63/71/184156371.db2.gz DJFVLWQFQGJZCB-UHFFFAOYSA-N 0 0 306.475 3.860 40 0 DHABRN Cc1cc(C)cc(OCCNC(=O)CCc2ccccc2F)c1 ZINC000065700413 184377187 /nfs/dbraw/zinc/37/71/87/184377187.db2.gz HXRRCDXJXZYPQT-UHFFFAOYSA-N 0 0 315.388 3.570 40 0 DHABRN Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccc(F)cc1 ZINC000065875198 184381513 /nfs/dbraw/zinc/38/15/13/184381513.db2.gz MVDIVOBMJBJYMC-RZXPCSSPSA-N 0 0 313.372 3.731 40 0 DHABRN C[C@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccccc1 ZINC000014400502 256526257 /nfs/dbraw/zinc/52/62/57/256526257.db2.gz PCNSIUJOINYLQR-ZDUSSCGKSA-N 0 0 319.401 3.502 40 0 DHABRN COc1cccc2cc(C(=O)Nc3ccc(N(C)C)cc3)oc21 ZINC000075482235 256547010 /nfs/dbraw/zinc/54/70/10/256547010.db2.gz HDRKFFWBBYBWRP-UHFFFAOYSA-N 0 0 310.353 3.760 40 0 DHABRN COC(=O)c1cc(C(C)=O)ccc1OCc1cccc(Cl)c1 ZINC000085397447 256547960 /nfs/dbraw/zinc/54/79/60/256547960.db2.gz CQANPZFQIAKJHZ-UHFFFAOYSA-N 0 0 318.756 3.908 40 0 DHABRN C[C@@H]1CC[C@H]1COc1ccc(I)cc1 ZINC000242718272 257120274 /nfs/dbraw/zinc/12/02/74/257120274.db2.gz XHQQLNGLVKBORD-ZJUUUORDSA-N 0 0 302.155 3.716 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3Cl)O[C@H]2C1 ZINC000242463877 257120762 /nfs/dbraw/zinc/12/07/62/257120762.db2.gz DPFJHPUYYLYPEL-BBRMVZONSA-N 0 0 309.793 3.575 40 0 DHABRN COc1cc(C)c([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072218044 257125342 /nfs/dbraw/zinc/12/53/42/257125342.db2.gz FGFAOMLECUHDOA-AWEZNQCLSA-N 0 0 306.406 3.861 40 0 DHABRN CCN(CC)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072212903 257127073 /nfs/dbraw/zinc/12/70/73/257127073.db2.gz CEKCMQLFRDZOPO-SFHVURJKSA-N 0 0 323.440 3.905 40 0 DHABRN CN(C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212684 257127233 /nfs/dbraw/zinc/12/72/33/257127233.db2.gz VBMZHBURMXNOFS-CQSZACIVSA-N 0 0 305.422 3.610 40 0 DHABRN CCN(C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072212713 257127488 /nfs/dbraw/zinc/12/74/88/257127488.db2.gz WEMDHWZDKUMCAB-AWEZNQCLSA-N 0 0 305.422 3.610 40 0 DHABRN CCOC(=O)c1cnc2c(C)cc(F)cc2c1N(CC)CC ZINC000064874756 257128266 /nfs/dbraw/zinc/12/82/66/257128266.db2.gz PGAVXQWSOBPDLU-UHFFFAOYSA-N 0 0 304.365 3.705 40 0 DHABRN CCOC(=O)c1ccc(CNc2ccc(Br)cc2)o1 ZINC000040175888 257129883 /nfs/dbraw/zinc/12/98/83/257129883.db2.gz TZGXEIQLOPCWNU-UHFFFAOYSA-N 0 0 324.174 3.831 40 0 DHABRN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000170387668 257216916 /nfs/dbraw/zinc/21/69/16/257216916.db2.gz FFINUKKXZOELDM-BBRMVZONSA-N 0 0 316.445 3.618 40 0 DHABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000059227414 257217313 /nfs/dbraw/zinc/21/73/13/257217313.db2.gz MVNGBVPRDMRSNP-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1 ZINC000021596436 257217651 /nfs/dbraw/zinc/21/76/51/257217651.db2.gz UWBQTKFLGRUDLZ-UHFFFAOYSA-N 0 0 312.438 3.993 40 0 DHABRN CCOc1ccccc1CCCNC(=O)CCc1ccccc1 ZINC000010110884 257218081 /nfs/dbraw/zinc/21/80/81/257218081.db2.gz ULGYYKHVPCIWKO-UHFFFAOYSA-N 0 0 311.425 3.767 40 0 DHABRN CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)cc1 ZINC000010329940 257218171 /nfs/dbraw/zinc/21/81/71/257218171.db2.gz YNCLNFOZJHSSLZ-UHFFFAOYSA-N 0 0 324.424 3.706 40 0 DHABRN COc1ccccc1NC(=O)CSCc1ccccc1F ZINC000005556006 257218799 /nfs/dbraw/zinc/21/87/99/257218799.db2.gz MKQDYUOQALEMNF-UHFFFAOYSA-N 0 0 305.374 3.706 40 0 DHABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1 ZINC000003514991 257219189 /nfs/dbraw/zinc/21/91/89/257219189.db2.gz DIBJGQMFFKLELZ-CQSZACIVSA-N 0 0 317.816 3.856 40 0 DHABRN Cn1cccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O ZINC000409135051 257221880 /nfs/dbraw/zinc/22/18/80/257221880.db2.gz PJYMUROGHZVSMY-GXDHUFHOSA-N 0 0 304.415 3.642 40 0 DHABRN CCOc1cc(C=O)c(Br)cc1O[C@H](C)CC ZINC000408845533 257225923 /nfs/dbraw/zinc/22/59/23/257225923.db2.gz GJZNOBJXFGECCS-SECBINFHSA-N 0 0 301.180 3.838 40 0 DHABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccs3)S2)cc1 ZINC000408779580 257226912 /nfs/dbraw/zinc/22/69/12/257226912.db2.gz YXMMAVXGNJWAIX-SCOADAFUSA-N 0 0 316.451 3.910 40 0 DHABRN O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)n1ccnc1 ZINC000408734089 257227169 /nfs/dbraw/zinc/22/71/69/257227169.db2.gz IIWBFLOYWKZGQL-MRXNPFEDSA-N 0 0 311.772 3.765 40 0 DHABRN Cc1cc(C)c(NC(=O)c2cn(C)c3ccccc3c2=O)c(C)c1 ZINC000408713157 257228124 /nfs/dbraw/zinc/22/81/24/257228124.db2.gz MDICPLAFXXNCGU-UHFFFAOYSA-N 0 0 320.392 3.716 40 0 DHABRN CCCC[C@H](CC)CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000408707452 257228512 /nfs/dbraw/zinc/22/85/12/257228512.db2.gz BGRPOGAKCUUAOI-INIZCTEOSA-N 0 0 318.461 3.883 40 0 DHABRN 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ZINC000098177274 563823934 /nfs/dbraw/zinc/82/39/34/563823934.db2.gz RPYBEYLDICMBNT-UHFFFAOYSA-N 0 0 302.381 3.783 40 0 DHABRN Cc1cccc(C)c1Nc1cc(C(F)(F)F)nc(NC(C)C)n1 ZINC000328966960 563832841 /nfs/dbraw/zinc/83/28/41/563832841.db2.gz CPSNVRKMGXIBDF-UHFFFAOYSA-N 0 0 324.350 3.520 40 0 DHABRN CNc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329067243 563834250 /nfs/dbraw/zinc/83/42/50/563834250.db2.gz YGUKKPXBKABQSD-UHFFFAOYSA-N 0 0 324.815 3.735 40 0 DHABRN Cc1ccc(C)c(N2C(=S)N=NC2COc2ccccc2)c1 ZINC000013535322 563839665 /nfs/dbraw/zinc/83/96/65/563839665.db2.gz SMHVGSDYPSPXBU-UHFFFAOYSA-N 0 0 311.410 3.752 40 0 DHABRN Cc1ccc(OCC2N=NC(=S)N2c2ccc(F)cc2)cc1 ZINC000013534328 563839863 /nfs/dbraw/zinc/83/98/63/563839863.db2.gz XEGGJGSRTBZKBD-UHFFFAOYSA-N 0 0 315.373 3.583 40 0 DHABRN O=C(COC(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000003398666 563855121 /nfs/dbraw/zinc/85/51/21/563855121.db2.gz VFLSGNWMKXGSBK-UHFFFAOYSA-N 0 0 305.333 3.635 40 0 DHABRN COc1cc2[nH]c(-c3ccc(OC)c(OC)c3)nc2c(Cl)c1 ZINC000216916733 563858640 /nfs/dbraw/zinc/85/86/40/563858640.db2.gz UAERJGPQPMMKTN-UHFFFAOYSA-N 0 0 318.760 3.909 40 0 DHABRN Cn1ccs/c1=N\C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000102915877 563871931 /nfs/dbraw/zinc/87/19/31/563871931.db2.gz DVHDNMSFIHUXGL-ICFOKQHNSA-N 0 0 318.785 3.741 40 0 DHABRN COc1ccc([C@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000032609788 563873489 /nfs/dbraw/zinc/87/34/89/563873489.db2.gz VIGVQZVUSBOYSL-AWEZNQCLSA-N 0 0 313.397 3.973 40 0 DHABRN Cc1coc(C)c1C(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000670801959 563877637 /nfs/dbraw/zinc/87/76/37/563877637.db2.gz XZCDMHIJNNGZPY-WMZOPIPTSA-N 0 0 313.397 3.855 40 0 DHABRN CC1CCN(c2c(N)cc(Br)cc2Cl)CC1 ZINC000045958963 563889101 /nfs/dbraw/zinc/88/91/01/563889101.db2.gz PSTROTAYQIZWOT-UHFFFAOYSA-N 0 0 303.631 3.921 40 0 DHABRN CNc1nc(Nc2ccc(F)cc2C)cc(C(F)(F)F)n1 ZINC000161762124 563891499 /nfs/dbraw/zinc/89/14/99/563891499.db2.gz GKPACEKOGFUVGR-UHFFFAOYSA-N 0 0 300.259 3.728 40 0 DHABRN COc1ccc(CCC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000199729069 563914347 /nfs/dbraw/zinc/91/43/47/563914347.db2.gz OJVJZFXVQFQTNR-UHFFFAOYSA-N 0 0 300.354 3.528 40 0 DHABRN O=C(CCc1cnc2ccccc2c1)c1ccc2c(c1)OCO2 ZINC000199737505 563914349 /nfs/dbraw/zinc/91/43/49/563914349.db2.gz GWGJLSPHHWNVCM-UHFFFAOYSA-N 0 0 305.333 3.779 40 0 DHABRN CCCN1C(=O)S/C(=C/c2ccc(OC)c(OCC)c2)C1=O ZINC000006656718 563921609 /nfs/dbraw/zinc/92/16/09/563921609.db2.gz VUEOFQOGBWNRPW-GXDHUFHOSA-N 0 0 321.398 3.540 40 0 DHABRN CCOc1ccccc1NC(=O)CN1Cc2cc(C)c(C)cc2C1 ZINC000007066350 563921913 /nfs/dbraw/zinc/92/19/13/563921913.db2.gz DMFKHKHMHDPYGZ-UHFFFAOYSA-N 0 0 324.424 3.656 40 0 DHABRN Cc1ccccc1N1C[C@H](C(=O)Oc2c(C)cccc2C)CC1=O ZINC000007929323 563922087 /nfs/dbraw/zinc/92/20/87/563922087.db2.gz BOVAVAPCWLSLEM-MRXNPFEDSA-N 0 0 323.392 3.570 40 0 DHABRN COc1cccc(-c2nnc(SC(=O)c3ccccc3)o2)c1 ZINC000007939588 563922099 /nfs/dbraw/zinc/92/20/99/563922099.db2.gz ARVVXLYGHLRLHP-UHFFFAOYSA-N 0 0 312.350 3.678 40 0 DHABRN Cc1cccc(N2C[C@H](C(=O)Oc3c(C)cccc3C)CC2=O)c1 ZINC000007929071 563922104 /nfs/dbraw/zinc/92/21/04/563922104.db2.gz UGHYAOVHISGHBO-MRXNPFEDSA-N 0 0 323.392 3.570 40 0 DHABRN Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)c1 ZINC000007929080 563922120 /nfs/dbraw/zinc/92/21/20/563922120.db2.gz FPVHKEAOWHVVBW-INIZCTEOSA-N 0 0 323.392 3.570 40 0 DHABRN Cc1ccc(N(Cc2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000033653321 563923024 /nfs/dbraw/zinc/92/30/24/563923024.db2.gz BFZKCZKFHVBSAH-UHFFFAOYSA-N 0 0 323.845 3.923 40 0 DHABRN Cc1ccc(CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000107543112 563923432 /nfs/dbraw/zinc/92/34/32/563923432.db2.gz DDKDPTQXGQIBLJ-UHFFFAOYSA-N 0 0 303.427 3.578 40 0 DHABRN Fc1cccc(Oc2ccc(I)cn2)c1 ZINC000685937704 563927047 /nfs/dbraw/zinc/92/70/47/563927047.db2.gz PLJLIQJKHQYUKM-UHFFFAOYSA-N 0 0 315.085 3.618 40 0 DHABRN CC(C)c1cc(N2C[C@@H](C)O[C@@H](C)C2)nc2c(O)cccc12 ZINC000685938587 563927171 /nfs/dbraw/zinc/92/71/71/563927171.db2.gz WUOASZHNGDJSBY-BETUJISGSA-N 0 0 300.402 3.677 40 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CQTZGCRDICKJEF-UHFFFAOYSA-N 0 0 309.360 3.571 40 0 DHABRN O=C(COc1ccccc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020025445 182180090 /nfs/dbraw/zinc/18/00/90/182180090.db2.gz ANSWESVWBYRWFG-UHFFFAOYSA-N 0 0 313.250 3.862 40 0 DHABRN COc1cccc(OC)c1/C=C/C(=O)Nc1cc(F)ccc1F ZINC000020030303 182181452 /nfs/dbraw/zinc/18/14/52/182181452.db2.gz PODBMDZVJSENMR-VQHVLOKHSA-N 0 0 319.307 3.634 40 0 DHABRN CCn1c(SCC(=O)c2ccc(C)cc2)nnc1C(C)C ZINC000020033758 182182053 /nfs/dbraw/zinc/18/20/53/182182053.db2.gz QVAYEFFNOSCMIN-UHFFFAOYSA-N 0 0 303.431 3.705 40 0 DHABRN COc1cc(CO)ccc1OCc1cccc(Br)c1 ZINC000020032066 182182104 /nfs/dbraw/zinc/18/21/04/182182104.db2.gz BTILSUPPAYBABP-UHFFFAOYSA-N 0 0 323.186 3.529 40 0 DHABRN COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000020039899 182183124 /nfs/dbraw/zinc/18/31/24/182183124.db2.gz JKVYUMHQQSZOQL-UHFFFAOYSA-N 0 0 319.788 3.629 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1C ZINC000020042323 182183217 /nfs/dbraw/zinc/18/32/17/182183217.db2.gz BWIZNSKYEBCEPJ-CQSZACIVSA-N 0 0 309.475 3.719 40 0 DHABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)C(F)(F)F ZINC000020137045 182191175 /nfs/dbraw/zinc/19/11/75/182191175.db2.gz ICWHTHQCBVLQST-UHFFFAOYSA-N 0 0 319.666 3.593 40 0 DHABRN COc1cc(NC(=O)c2cccc(N)c2C)c(OC)cc1Cl ZINC000020194656 182196265 /nfs/dbraw/zinc/19/62/65/182196265.db2.gz UTCDQGNFBZRDRW-UHFFFAOYSA-N 0 0 320.776 3.500 40 0 DHABRN Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)c(Cl)c1 ZINC000020221039 182198823 /nfs/dbraw/zinc/19/88/23/182198823.db2.gz SNIZEBYBJPCHFN-UHFFFAOYSA-N 0 0 300.667 3.592 40 0 DHABRN CC(C)OC(=O)c1ccc2nc(NC(=O)C(C)(C)C)sc2c1 ZINC000020411778 182215343 /nfs/dbraw/zinc/21/53/43/182215343.db2.gz HPKOICOXJFGIEE-UHFFFAOYSA-N 0 0 320.414 3.846 40 0 DHABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccncc1 ZINC000020481494 182222742 /nfs/dbraw/zinc/22/27/42/182222742.db2.gz NKXGAMVUTRGHFI-SFHVURJKSA-N 0 0 320.392 3.709 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000020485586 182223145 /nfs/dbraw/zinc/22/31/45/182223145.db2.gz KTDFSMQQCDZXIO-CABCVRRESA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccccc1NC(=S)C(=O)Nc1cccc(C)c1C ZINC000020417765 182215595 /nfs/dbraw/zinc/21/55/95/182215595.db2.gz PFVNSUSWGMGXGC-UHFFFAOYSA-N 0 0 314.410 3.690 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000020450788 182218815 /nfs/dbraw/zinc/21/88/15/182218815.db2.gz YBOSKBAYSIIXQR-CABCVRRESA-N 0 0 313.397 3.648 40 0 DHABRN Cc1ccc(CC(=O)NCc2ccc(OC(C)C)cc2)cc1C ZINC000020491009 182224014 /nfs/dbraw/zinc/22/40/14/182224014.db2.gz ILKOHCJVERPDBB-UHFFFAOYSA-N 0 0 311.425 3.950 40 0 DHABRN Cc1ccccc1C(=O)Nc1ccc(Br)cc1N ZINC000020520927 182226420 /nfs/dbraw/zinc/22/64/20/182226420.db2.gz WSMBNEOWQTWMSM-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1CCCCC1 ZINC000020540569 182228886 /nfs/dbraw/zinc/22/88/86/182228886.db2.gz QKOHMMASGGHFEY-KRWDZBQOSA-N 0 0 302.418 3.705 40 0 DHABRN CC(C)c1nc2nc(C(F)(F)F)nn2c(N)c1-c1ccccc1 ZINC000020638435 182240918 /nfs/dbraw/zinc/24/09/18/182240918.db2.gz MHXDECPZWSEFJO-UHFFFAOYSA-N 0 0 321.306 3.516 40 0 DHABRN Cc1ccc(OCC(=O)Nc2ccc(N)cc2Cl)c(C)c1 ZINC000021813864 182292724 /nfs/dbraw/zinc/29/27/24/182292724.db2.gz RGTFCTGEROASDE-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN CC(C)C(=O)CC(=O)Nc1ccccc1OCc1ccccc1 ZINC000022051329 182306430 /nfs/dbraw/zinc/30/64/30/182306430.db2.gz FHAIECLHTXTYOG-UHFFFAOYSA-N 0 0 311.381 3.819 40 0 in-vitro DHABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1C ZINC000022250601 182315666 /nfs/dbraw/zinc/31/56/66/182315666.db2.gz XGQBQVVCAASSSF-UHFFFAOYSA-N 0 0 303.789 3.977 40 0 DHABRN Cc1cccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c1C ZINC000022236217 182313997 /nfs/dbraw/zinc/31/39/97/182313997.db2.gz DTBIADAPQYGYEF-UHFFFAOYSA-N 0 0 324.355 3.547 40 0 DHABRN CSc1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1 ZINC000022234185 182314108 /nfs/dbraw/zinc/31/41/08/182314108.db2.gz OMWCSSKUUKOLBW-UHFFFAOYSA-N 0 0 324.405 3.513 40 0 DHABRN CC[C@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C ZINC000022237613 182314382 /nfs/dbraw/zinc/31/43/82/182314382.db2.gz CEAMHLOINWOZPH-NSHDSACASA-N 0 0 303.431 3.748 40 0 DHABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccco1 ZINC000022512323 182324351 /nfs/dbraw/zinc/32/43/51/182324351.db2.gz XQIAERZHOIFSNV-QGZVFWFLSA-N 0 0 309.365 3.907 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000022520664 182324964 /nfs/dbraw/zinc/32/49/64/182324964.db2.gz UMJRLSXFBHESFQ-OAHLLOKOSA-N 0 0 309.287 3.900 40 0 DHABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccncc1 ZINC000022527916 182325020 /nfs/dbraw/zinc/32/50/20/182325020.db2.gz WMOFXZAHHOHIBI-OAHLLOKOSA-N 0 0 320.845 3.922 40 0 DHABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccncc1 ZINC000022527920 182325220 /nfs/dbraw/zinc/32/52/20/182325220.db2.gz WMOFXZAHHOHIBI-HNNXBMFYSA-N 0 0 320.845 3.922 40 0 DHABRN S=c1scc(-c2ccccc2)n1CCCN1CCOCC1 ZINC000024303209 182378645 /nfs/dbraw/zinc/37/86/45/182378645.db2.gz RQIAVKJICSASTN-UHFFFAOYSA-N 0 0 320.483 3.668 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(F)cc1 ZINC000025454151 182415818 /nfs/dbraw/zinc/41/58/18/182415818.db2.gz KQTNDFJVMVLITQ-CYBMUJFWSA-N 0 0 301.361 3.644 40 0 DHABRN CCOc1cccc(C(=O)Nc2nc3ccccc3n2CC)c1 ZINC000027923376 182497927 /nfs/dbraw/zinc/49/79/27/182497927.db2.gz IPKJNGQOYDEEQH-UHFFFAOYSA-N 0 0 309.369 3.707 40 0 DHABRN CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCCCCC1 ZINC000027975932 182501456 /nfs/dbraw/zinc/50/14/56/182501456.db2.gz SPQWZKJSSKYIGA-GOSISDBHSA-N 0 0 301.430 3.735 40 0 DHABRN Cc1cccc(Cn2cc(NC(=O)CCc3ccccc3)cn2)c1 ZINC000028574425 182529715 /nfs/dbraw/zinc/52/97/15/182529715.db2.gz USUJMRRHKLQHKT-UHFFFAOYSA-N 0 0 319.408 3.811 40 0 DHABRN CC(C)(C)OC(=O)Nc1nc(Cl)ccc1Br ZINC000098179377 193791527 /nfs/dbraw/zinc/79/15/27/193791527.db2.gz BZKGLZMHGFOFSU-UHFFFAOYSA-N 0 0 307.575 3.845 40 0 DHABRN C[C@@H](Sc1ccccc1)C(=O)NCCOc1ccc(F)cc1 ZINC000030132590 182583662 /nfs/dbraw/zinc/58/36/62/182583662.db2.gz VAIIFMMUFUZSLQ-CYBMUJFWSA-N 0 0 319.401 3.502 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1C ZINC000030847826 182598833 /nfs/dbraw/zinc/59/88/33/182598833.db2.gz FAWRATINWYJJIG-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSC(C)(C)C ZINC000030866558 182600686 /nfs/dbraw/zinc/60/06/86/182600686.db2.gz KNTDHYYVDJZLBQ-CQSZACIVSA-N 0 0 313.438 3.631 40 0 DHABRN Nc1cc(C(=O)Nc2ccccc2OC(F)F)ccc1Cl ZINC000037328041 182882706 /nfs/dbraw/zinc/88/27/06/182882706.db2.gz VKYPROPOPAMIFT-UHFFFAOYSA-N 0 0 312.703 3.776 40 0 DHABRN COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000038756858 183009171 /nfs/dbraw/zinc/00/91/71/183009171.db2.gz XONSQWBUGFSYTI-AWEZNQCLSA-N 0 0 313.397 3.812 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000038852357 183011713 /nfs/dbraw/zinc/01/17/13/183011713.db2.gz WGEPMJLEXSDNIJ-UHFFFAOYSA-N 0 0 311.429 3.692 40 0 DHABRN CSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 ZINC000039989036 183026726 /nfs/dbraw/zinc/02/67/26/183026726.db2.gz UFMDWYKLJOPQEF-QPJJXVBHSA-N 0 0 311.819 3.565 40 0 DHABRN CC(C)(C)OC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC000039954239 183023816 /nfs/dbraw/zinc/02/38/16/183023816.db2.gz YCAODWMJVJAXEZ-UHFFFAOYSA-N 0 0 317.307 3.704 40 0 DHABRN CCOC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000039956249 183024583 /nfs/dbraw/zinc/02/45/83/183024583.db2.gz APPHKRKVOXGUDD-UHFFFAOYSA-N 0 0 310.147 3.589 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](COc2cccc(Cl)c2)C1 ZINC000039954512 183024628 /nfs/dbraw/zinc/02/46/28/183024628.db2.gz VQVYMDXKMVZFDP-LBPRGKRZSA-N 0 0 311.809 3.976 40 0 DHABRN COc1ccc(Nc2nc(Cl)ncc2Br)cc1 ZINC000039957250 183025396 /nfs/dbraw/zinc/02/53/96/183025396.db2.gz GUBXCKFSVIECIH-UHFFFAOYSA-N 0 0 314.570 3.645 40 0 DHABRN COc1ccc(NCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000040174469 183043254 /nfs/dbraw/zinc/04/32/54/183043254.db2.gz JCXMFSYQYAGLHC-UHFFFAOYSA-N 0 0 314.776 3.746 40 0 DHABRN c1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)[nH]2)cc1 ZINC000040174579 183043290 /nfs/dbraw/zinc/04/32/90/183043290.db2.gz VEQAWJXOQKVNEM-UHFFFAOYSA-N 0 0 307.382 3.640 40 0 DHABRN CCOC(=O)c1cnc2cc(C(=O)OC(C)C)ccc2c1Cl ZINC000040174318 183043620 /nfs/dbraw/zinc/04/36/20/183043620.db2.gz QBAGABUGCYFOSZ-UHFFFAOYSA-N 0 0 321.760 3.630 40 0 DHABRN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000040295146 183051997 /nfs/dbraw/zinc/05/19/97/183051997.db2.gz UIMKVYLWJAVFAE-DTORHVGOSA-N 0 0 301.217 3.979 40 0 DHABRN CCCSc1nnc(NC(=O)CCc2ccc(C)cc2)s1 ZINC000041018736 183156996 /nfs/dbraw/zinc/15/69/96/183156996.db2.gz NELVZRWVSKPUMH-UHFFFAOYSA-N 0 0 321.471 3.920 40 0 DHABRN COC(=O)c1ccc(Nc2cccc(Br)c2)c(N)c1 ZINC000041081548 183163645 /nfs/dbraw/zinc/16/36/45/183163645.db2.gz KRAMKARALRDMCH-UHFFFAOYSA-N 0 0 321.174 3.562 40 0 DHABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000042629908 183292166 /nfs/dbraw/zinc/29/21/66/183292166.db2.gz LTQZPXLVXJAVGI-UHFFFAOYSA-N 0 0 310.397 3.729 40 0 DHABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000043747479 183384208 /nfs/dbraw/zinc/38/42/08/183384208.db2.gz ZQMQDXWWOJKSLC-OAHLLOKOSA-N 0 0 322.408 3.613 40 0 DHABRN C[C@H](SCc1ccccc1)C(=O)NCCOc1ccccc1 ZINC000044311811 183404350 /nfs/dbraw/zinc/40/43/50/183404350.db2.gz OIXDACLSVCZQBH-HNNXBMFYSA-N 0 0 315.438 3.504 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C)cc1 ZINC000044903140 183453877 /nfs/dbraw/zinc/45/38/77/183453877.db2.gz KDKLFXSJQAAVMS-KRWDZBQOSA-N 0 0 301.361 3.608 40 0 DHABRN COc1ccc(CN(C)C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000044818756 183439409 /nfs/dbraw/zinc/43/94/09/183439409.db2.gz CBWPWDYHIXFQCH-UHFFFAOYSA-N 0 0 323.314 3.986 40 0 DHABRN O=C(NCCCOC1CCCCC1)c1ccc(Cl)cc1F ZINC000052568293 183865380 /nfs/dbraw/zinc/86/53/80/183865380.db2.gz PFCSTLDAINNZFE-UHFFFAOYSA-N 0 0 313.800 3.948 40 0 DHABRN COc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 ZINC000053387784 183900907 /nfs/dbraw/zinc/90/09/07/183900907.db2.gz IQILZYDMIWVWOO-CQSZACIVSA-N 0 0 309.409 3.604 40 0 DHABRN COC(=O)c1c(C)nn(-c2nc3c(s2)c(C)ccc3C)c1C ZINC000057351384 184034865 /nfs/dbraw/zinc/03/48/65/184034865.db2.gz XEUJWLJGZGCICP-UHFFFAOYSA-N 0 0 315.398 3.502 40 0 DHABRN COc1ccc2cc3c(nc2c1)OCCN(c1ccccc1)C3 ZINC000057710117 184049200 /nfs/dbraw/zinc/04/92/00/184049200.db2.gz UCEQJDKFCLWGJE-UHFFFAOYSA-N 0 0 306.365 3.642 40 0 DHABRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cl)cc1F ZINC000065721060 184377542 /nfs/dbraw/zinc/37/75/42/184377542.db2.gz IYKKGRWQELQZBS-GFCCVEGCSA-N 0 0 321.779 3.985 40 0 DHABRN Cc1ccc([C@H](C)NC(=O)COc2cccc(Cl)c2)cc1 ZINC000113969352 194624753 /nfs/dbraw/zinc/62/47/53/194624753.db2.gz KDUSQEYECYAUFS-ZDUSSCGKSA-N 0 0 303.789 3.905 40 0 DHABRN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 ZINC000008050115 256522431 /nfs/dbraw/zinc/52/24/31/256522431.db2.gz DKPZQIQZWMTQNU-OAHLLOKOSA-N 0 0 311.381 3.912 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000014737984 256526316 /nfs/dbraw/zinc/52/63/16/256526316.db2.gz KVILFADKFUXQBD-SJORKVTESA-N 0 0 311.425 3.900 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@]2(c3cccc(Cl)c3)O[C@@H]2C1 ZINC000242425597 257120747 /nfs/dbraw/zinc/12/07/47/257120747.db2.gz BQBTXSZGAQQARH-CZUORRHYSA-N 0 0 309.793 3.575 40 0 DHABRN Cc1nc(I)ccc1SC(C)(C)C ZINC000072219691 257124610 /nfs/dbraw/zinc/12/46/10/257124610.db2.gz ZMJDUFKRBPOFKF-UHFFFAOYSA-N 0 0 307.200 3.885 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214233 257126563 /nfs/dbraw/zinc/12/65/63/257126563.db2.gz JCAYQMBDJBIIGP-SFHVURJKSA-N 0 0 309.413 3.923 40 0 DHABRN CCOc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072211815 257126962 /nfs/dbraw/zinc/12/69/62/257126962.db2.gz XEILGBJANWHHRB-KRWDZBQOSA-N 0 0 310.397 3.848 40 0 DHABRN Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072212391 257127184 /nfs/dbraw/zinc/12/71/84/257127184.db2.gz XBPKGZZEHOKKJL-INIZCTEOSA-N 0 0 311.385 3.528 40 0 DHABRN Nc1cccc(-c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)c1 ZINC000064874551 257128867 /nfs/dbraw/zinc/12/88/67/257128867.db2.gz UCJQZGXYJGSHBF-UHFFFAOYSA-N 0 0 304.275 3.740 40 0 DHABRN CC(C)=CC[C@@H](O)/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000514288198 257215940 /nfs/dbraw/zinc/21/59/40/257215940.db2.gz VQGXQPRJZYLHNO-IDKBZEPQSA-N 0 0 314.381 3.835 40 0 biogenic,in-vitro DHABRN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)C(F)(F)F ZINC000001444133 257219417 /nfs/dbraw/zinc/21/94/17/257219417.db2.gz YOPWPTWCYQTTIQ-UHFFFAOYSA-N 0 0 322.242 3.545 40 0 DHABRN CCCN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O ZINC000409348471 257220087 /nfs/dbraw/zinc/22/00/87/257220087.db2.gz SUYPMCCVGKJLCG-UVTDQMKNSA-N 0 0 305.399 3.920 40 0 DHABRN CC(C)CN1c2ccccc2/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000409120224 257222599 /nfs/dbraw/zinc/22/25/99/257222599.db2.gz VXVKJQRMYRVWNP-SXGWCWSVSA-N 0 0 321.376 3.959 40 0 DHABRN CCN1C(=O)S/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O ZINC000409072937 257223551 /nfs/dbraw/zinc/22/35/51/257223551.db2.gz FKZFZZYLIYDCIE-UKTHLTGXSA-N 0 0 306.431 3.916 40 0 DHABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O ZINC000409013460 257224107 /nfs/dbraw/zinc/22/41/07/257224107.db2.gz ACXLKRZLPBLTRF-FBWGLTFQSA-N 0 0 319.382 3.559 40 0 DHABRN Cc1ccc(N(C)C(=O)Nc2ccc3snnc3c2)cc1C ZINC000408993439 257224938 /nfs/dbraw/zinc/22/49/38/257224938.db2.gz CXIMGDYSJBVZCO-UHFFFAOYSA-N 0 0 312.398 3.976 40 0 DHABRN CCc1ccccc1NC(=O)c1cn(CC)c2ccccc2c1=O ZINC000408713129 257227591 /nfs/dbraw/zinc/22/75/91/257227591.db2.gz LCWRROARFOZHQA-UHFFFAOYSA-N 0 0 320.392 3.836 40 0 DHABRN CCn1cc(C(=O)Nc2c(C)cccc2C)c(=O)c2ccccc21 ZINC000408713136 257227987 /nfs/dbraw/zinc/22/79/87/257227987.db2.gz LKRVYDSTPJAVHA-UHFFFAOYSA-N 0 0 320.392 3.891 40 0 DHABRN CCn1cc(C(=O)Nc2ccccc2C)c(=O)c2ccccc21 ZINC000408713015 257228099 /nfs/dbraw/zinc/22/80/99/257228099.db2.gz GNWDPGJRXYNLBF-UHFFFAOYSA-N 0 0 306.365 3.582 40 0 DHABRN O=C(Sc1nnc(COc2ccccc2)o1)c1cccs1 ZINC000408624571 257228351 /nfs/dbraw/zinc/22/83/51/257228351.db2.gz VBUJKGMJEICRBN-UHFFFAOYSA-N 0 0 318.379 3.643 40 0 DHABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCCC2)cc1 ZINC000408677594 257228559 /nfs/dbraw/zinc/22/85/59/257228559.db2.gz SGULGJKGHBOFOT-UHFFFAOYSA-N 0 0 324.468 3.985 40 0 DHABRN COc1ccc(-c2nnc(SC(=O)c3cccs3)o2)cc1 ZINC000408692953 257228742 /nfs/dbraw/zinc/22/87/42/257228742.db2.gz ZFCUBCMTQKWPSQ-UHFFFAOYSA-N 0 0 318.379 3.739 40 0 DHABRN Cc1cc(Cl)ccc1NC(=S)NC(=O)c1ccccc1F ZINC000408596925 257228984 /nfs/dbraw/zinc/22/89/84/257228984.db2.gz WDFZSIBAVZFFCY-UHFFFAOYSA-N 0 0 322.792 3.914 40 0 DHABRN Cc1ccc(-c2ccc(OC(=O)c3cccc(F)c3)nn2)cc1 ZINC000408531462 257230115 /nfs/dbraw/zinc/23/01/15/257230115.db2.gz UBATYJDEWURBOF-UHFFFAOYSA-N 0 0 308.312 3.810 40 0 DHABRN COc1cccc(Oc2ccc(NC(=S)NC(C)C)cn2)c1 ZINC000408551318 257230126 /nfs/dbraw/zinc/23/01/26/257230126.db2.gz MZYPOVTXDIUEKF-UHFFFAOYSA-N 0 0 317.414 3.577 40 0 DHABRN Cc1ccc(C)c(-c2ccc(OC(=O)c3ccccc3)nn2)c1 ZINC000408531524 257230210 /nfs/dbraw/zinc/23/02/10/257230210.db2.gz UNHQWIKSNFLBKL-UHFFFAOYSA-N 0 0 304.349 3.980 40 0 DHABRN CC(=O)Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC000408530736 257230446 /nfs/dbraw/zinc/23/04/46/257230446.db2.gz QYAHHEYBSKLWKW-UHFFFAOYSA-N 0 0 306.321 3.861 40 0 DHABRN CCCCN1C(=O)S/C(=C\c2ccc(O)c(OCC)c2)C1=O ZINC000005552454 257231536 /nfs/dbraw/zinc/23/15/36/257231536.db2.gz IECSUVZFOJGRHM-UVTDQMKNSA-N 0 0 321.398 3.627 40 0 DHABRN 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Cc1ccc(CSCCNC(=O)c2ccccc2F)cc1 ZINC000017603915 563922850 /nfs/dbraw/zinc/92/28/50/563922850.db2.gz REVDLXWMEAGDFM-UHFFFAOYSA-N 0 0 303.402 3.797 40 0 DHABRN CC(C)(C)OC(=O)n1ccc2c1CCN(Cc1ccccc1)C2 ZINC000095635424 563923354 /nfs/dbraw/zinc/92/33/54/563923354.db2.gz YMBDJRLDJQKNKQ-UHFFFAOYSA-N 0 0 312.413 3.830 40 0 DHABRN COc1ccc(-n2c(C)nnc2SCc2ccccc2)cc1 ZINC000075331410 563923396 /nfs/dbraw/zinc/92/33/96/563923396.db2.gz NHZYZHOJYWRURB-UHFFFAOYSA-N 0 0 311.410 3.877 40 0 DHABRN CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccc(F)cc2)n1 ZINC000096296222 563936145 /nfs/dbraw/zinc/93/61/45/563936145.db2.gz RIBQUYVWOYJIMD-HNNXBMFYSA-N 0 0 318.392 3.685 40 0 biogenic,in-vitro DHABRN CCOC(=O)c1[nH]c2ccccc2c1[C@H]1OC(=O)c2ccccc21 ZINC000225810379 563938822 /nfs/dbraw/zinc/93/88/22/563938822.db2.gz WBTFUDVCQUROJX-KRWDZBQOSA-N 0 0 321.332 3.604 40 0 DHABRN Oc1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1 ZINC000003031002 563941612 /nfs/dbraw/zinc/94/16/12/563941612.db2.gz UPVWMNSVNHQLHJ-UHFFFAOYSA-N 0 0 304.309 3.734 40 0 DHABRN O=C(NCc1ccccc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000003059183 563941797 /nfs/dbraw/zinc/94/17/97/563941797.db2.gz ULUJOCPTYZTMRJ-CABCVRRESA-N 0 0 320.219 3.890 40 0 DHABRN O=C(NCc1ccccc1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000003059181 563941808 /nfs/dbraw/zinc/94/18/08/563941808.db2.gz ULUJOCPTYZTMRJ-HUUCEWRRSA-N 0 0 320.219 3.890 40 0 DHABRN Fc1cccc(-c2nc(Cl)cc(NCc3ccccc3)n2)c1 ZINC000329017942 563959578 /nfs/dbraw/zinc/95/95/78/563959578.db2.gz NNZHWRZLTKLPST-UHFFFAOYSA-N 0 0 313.763 4.548 40 0 DHABRN CC(C)Nc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)n1 ZINC000328964989 563959806 /nfs/dbraw/zinc/95/98/06/563959806.db2.gz CAEKWLXLQUNUQN-UHFFFAOYSA-N 0 0 320.396 4.413 40 0 DHABRN C[C@H]1C[C@H]1c1ccc(CNCc2nnc(C(C)(C)C)s2)o1 ZINC000268245139 563961585 /nfs/dbraw/zinc/96/15/85/563961585.db2.gz XYNVEAQCFLMFOE-CMPLNLGQSA-N 0 0 305.447 3.842 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)c2ccccc2F)c1C ZINC000013613789 568412570 /nfs/dbraw/zinc/41/25/70/568412570.db2.gz RTIZJNSSYOJHRM-UHFFFAOYSA-N 0 0 301.317 3.563 40 0 DHABRN CCc1ccc(NC(=O)c2cc3ccc(OC)cc3oc2=O)cc1 ZINC000033809277 568412900 /nfs/dbraw/zinc/41/29/00/568412900.db2.gz QTRJESFSBMTVHL-UHFFFAOYSA-N 0 0 323.348 3.616 40 0 DHABRN COC(=O)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000075629719 568413525 /nfs/dbraw/zinc/41/35/25/568413525.db2.gz MZSGCJXSOIQHTA-OAHLLOKOSA-N 0 0 319.401 3.854 40 0 DHABRN CCCNC(=O)c1ccccc1NC(=S)Nc1ccccc1 ZINC000014009802 568414736 /nfs/dbraw/zinc/41/47/36/568414736.db2.gz UIRSLVLDVNEOMT-UHFFFAOYSA-N 0 0 313.426 3.635 40 0 DHABRN COc1ccc(Cl)cc1/C=C1/SC(=O)N(C(C)C)C1=O ZINC000208519345 1019316134 /nfs/dbraw/zinc/31/61/34/1019316134.db2.gz FAYYREFSHZGFLJ-KPKJPENVSA-N 0 0 311.790 3.793 40 0 DHABRN CCCC[C@H](C(=O)c1ccc(OC)c(OC)c1)N1CCCC1 ZINC000299817181 1020524927 /nfs/dbraw/zinc/52/49/27/1020524927.db2.gz KAWWDIAYCGMAPE-OAHLLOKOSA-N 0 0 305.418 3.541 40 0 in-vitro DHABRN COc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1F ZINC000071325902 1022149787 /nfs/dbraw/zinc/14/97/87/1022149787.db2.gz YCJTUZXQSUSDHB-UHFFFAOYSA-N 0 0 312.316 3.921 40 0 DHABRN O=C(c1cc(F)cc(F)c1)n1cccc/c1=N\C1CCCCC1 ZINC000014903741 1023947340 /nfs/dbraw/zinc/94/73/40/1023947340.db2.gz UCKSSKPSNVUMRB-HEHNFIMWSA-N 0 0 316.351 3.688 40 0 DHABRN CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)F)s2)CC1 ZINC000575629382 1024623031 /nfs/dbraw/zinc/62/30/31/1024623031.db2.gz UFNNQFANBOKJOY-UHFFFAOYSA-N 0 0 318.389 3.743 40 0 DHABRN C[C@@H](SCc1ccccc1)C(=O)NCCOc1ccccc1 ZINC000044311812 1025470766 /nfs/dbraw/zinc/47/07/66/1025470766.db2.gz OIXDACLSVCZQBH-OAHLLOKOSA-N 0 0 315.438 3.504 40 0 DHABRN COc1ccc(-n2cnc3cc(-c4ccncc4)ccc32)cc1O ZINC000095802908 185384202 /nfs/dbraw/zinc/38/42/02/185384202.db2.gz WUUDTPHXOXEUJT-UHFFFAOYSA-N 0 0 317.348 3.802 40 0 DHABRN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1Cl ZINC000096659489 185385327 /nfs/dbraw/zinc/38/53/27/185385327.db2.gz XEEPZOARSRCWES-UHFFFAOYSA-N 0 0 313.781 3.897 40 0 DHABRN Cc1nc2ccc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F ZINC000079069550 185153095 /nfs/dbraw/zinc/15/30/95/185153095.db2.gz GIMRDGMAHSBGHG-UHFFFAOYSA-N 0 0 324.142 3.715 40 0 DHABRN O=C(COc1cccc2cccnc21)Nc1c(F)cccc1F ZINC000082339090 185176408 /nfs/dbraw/zinc/17/64/08/185176408.db2.gz GQHGXHHULQQHIJ-UHFFFAOYSA-N 0 0 314.291 3.531 40 0 DHABRN Cc1cc(NC(=O)c2ccccc2O)ccc1Br ZINC000019806548 190644797 /nfs/dbraw/zinc/64/47/97/190644797.db2.gz VCKHQPOSWDTTPB-UHFFFAOYSA-N 0 0 306.159 3.715 40 0 DHABRN O=C(Nc1cccc(F)c1)c1snnc1-c1ccc(F)cc1 ZINC000225778160 201743921 /nfs/dbraw/zinc/74/39/21/201743921.db2.gz XLJHNEMMRRPTBM-UHFFFAOYSA-N 0 0 317.320 3.736 40 0 DHABRN Cc1ccc(CNC(=O)c2snnc2-c2ccc(C)cc2)cc1 ZINC000225772943 201745032 /nfs/dbraw/zinc/74/50/32/201745032.db2.gz CRGDRZBQOOEWGB-UHFFFAOYSA-N 0 0 323.421 3.752 40 0 DHABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1 ZINC000225858616 201755432 /nfs/dbraw/zinc/75/54/32/201755432.db2.gz FFVCKVHYENMDPF-OAHLLOKOSA-N 0 0 309.409 3.649 40 0 DHABRN COc1ccc(CCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000139628322 186022999 /nfs/dbraw/zinc/02/29/99/186022999.db2.gz RLMGBYSIIULZOC-CQSZACIVSA-N 0 0 313.397 3.514 40 0 DHABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000148100078 186043012 /nfs/dbraw/zinc/04/30/12/186043012.db2.gz MISHKVDZYLEVQQ-UHFFFAOYSA-N 0 0 323.371 3.940 40 0 DHABRN Fc1cc(I)cc(F)c1C(F)(F)F ZINC000142676889 186032870 /nfs/dbraw/zinc/03/28/70/186032870.db2.gz PFVGWSZEDWYASA-UHFFFAOYSA-N 0 0 307.987 3.588 40 0 DHABRN CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1 ZINC000225595060 186280839 /nfs/dbraw/zinc/28/08/39/186280839.db2.gz HDVPBNBEGLOOKS-OAHLLOKOSA-N 0 0 307.390 3.564 40 0 DHABRN CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1C ZINC000225599752 186282072 /nfs/dbraw/zinc/28/20/72/186282072.db2.gz SLYWFDPWMVRQBP-MRXNPFEDSA-N 0 0 321.417 3.872 40 0 DHABRN Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 ZINC000225611450 186283459 /nfs/dbraw/zinc/28/34/59/186283459.db2.gz IVKXRCIJMNJCIN-UHFFFAOYSA-N 0 0 324.424 3.623 40 0 DHABRN CO[C@](C)(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 ZINC000225642837 186286420 /nfs/dbraw/zinc/28/64/20/186286420.db2.gz KPKGBTMVTWPUTI-SFHVURJKSA-N 0 0 303.402 3.762 40 0 DHABRN COc1ccc([C@@H]2CCCCCN2C(=O)c2cscn2)cc1 ZINC000072351095 191129190 /nfs/dbraw/zinc/12/91/90/191129190.db2.gz MQWGPKSBZQJUFX-INIZCTEOSA-N 0 0 316.426 3.909 40 0 DHABRN COc1ccc([C@H]2CCCCCN2C(=O)c2cscn2)cc1 ZINC000072351096 191128632 /nfs/dbraw/zinc/12/86/32/191128632.db2.gz MQWGPKSBZQJUFX-MRXNPFEDSA-N 0 0 316.426 3.909 40 0 DHABRN Cc1c[nH]nc1[C@]1(C)CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072388845 191147650 /nfs/dbraw/zinc/14/76/50/191147650.db2.gz VKIQQDWVHJSDNA-QGZVFWFLSA-N 0 0 317.820 3.565 40 0 DHABRN CC[C@@]12CCCN3CCc4c5ccccc5n(c4[C@@]31C)C(=O)C2 ZINC000072482125 191181735 /nfs/dbraw/zinc/18/17/35/191181735.db2.gz CTYBGXIPHXPWLF-UXHICEINSA-N 0 0 308.425 3.949 40 0 DHABRN CCOc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1 ZINC000000357176 180765843 /nfs/dbraw/zinc/76/58/43/180765843.db2.gz HNGISAVJDZHTCL-UHFFFAOYSA-N 0 0 301.729 3.539 40 0 DHABRN O=C1OC(c2ccco2)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000000365355 180768299 /nfs/dbraw/zinc/76/82/99/180768299.db2.gz ZXQIPXWURBZHRX-IZZDOVSWSA-N 0 0 308.120 3.931 40 0 DHABRN COc1ccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000421245 180783565 /nfs/dbraw/zinc/78/35/65/180783565.db2.gz MVKYWLNJRMAIBJ-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN COc1ccc(-c2nnc(SCc3ccccc3)n2C)cc1 ZINC000000422005 180784667 /nfs/dbraw/zinc/78/46/67/180784667.db2.gz LRXYRGFVYAHAPZ-UHFFFAOYSA-N 0 0 311.410 3.783 40 0 DHABRN CCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000513715 180810361 /nfs/dbraw/zinc/81/03/61/180810361.db2.gz GFEYPRPYFVGCRU-UHFFFAOYSA-N 0 0 302.761 3.941 40 0 DHABRN CC(=O)N(c1nnc(-c2cccc(C)c2)s1)C1CCCC1 ZINC000001345377 180855633 /nfs/dbraw/zinc/85/56/33/180855633.db2.gz KSOFYBQWPSPROS-UHFFFAOYSA-N 0 0 301.415 3.809 40 0 DHABRN CC[C@@H](C)C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000001364325 180856765 /nfs/dbraw/zinc/85/67/65/180856765.db2.gz WFTCEDRIOGXYRD-NEPJUHHUSA-N 0 0 319.430 3.550 40 0 DHABRN COc1cccc(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1OC ZINC000001711320 180890332 /nfs/dbraw/zinc/89/03/32/180890332.db2.gz RENOGJSUOODSNX-GOEBONIOSA-N 0 0 318.413 3.985 40 0 DHABRN CC1=N[C@H](C)CNc2c3ccccc3n(-c3ccccc3)c(=O)c21 ZINC000003844339 181048545 /nfs/dbraw/zinc/04/85/45/181048545.db2.gz GXRMYUCHVVEEIH-CYBMUJFWSA-N 0 0 317.392 3.614 40 0 DHABRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(C)ccc3C)C(=O)[C@@H]21 ZINC000004187980 181083132 /nfs/dbraw/zinc/08/31/32/181083132.db2.gz HWKMTFPOJYQIGK-DACLVMHWSA-N 0 0 307.393 3.561 40 0 DHABRN COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NC(C)(C)C)CC2 ZINC000004222622 181086142 /nfs/dbraw/zinc/08/61/42/181086142.db2.gz BZLGYSABVKPFDN-DZGCQCFKSA-N 0 0 317.473 3.968 40 0 biogenic,in-vitro DHABRN COc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(C)cc23)c1 ZINC000004313285 181095732 /nfs/dbraw/zinc/09/57/32/181095732.db2.gz LRUQNFKASIRQIR-VQIMIIECSA-N 0 0 324.380 3.773 40 0 DHABRN COc1ccccc1Oc1ncnc2c1cnn2-c1ccccc1 ZINC000004355233 181101707 /nfs/dbraw/zinc/10/17/07/181101707.db2.gz KKNNBYXFZKQGNI-UHFFFAOYSA-N 0 0 318.336 3.616 40 0 DHABRN C[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]21 ZINC000004353240 181101978 /nfs/dbraw/zinc/10/19/78/181101978.db2.gz KNJHGAIWASQHSB-BIIJJZAFSA-N 0 0 312.365 3.603 40 0 DHABRN O=C1O[C@](c2ccc(O)cc2)(c2ccccc2O)c2ccccc21 ZINC000004683134 181136457 /nfs/dbraw/zinc/13/64/57/181136457.db2.gz OVELHKBTRXSQMT-FQEVSTJZSA-N 0 0 318.328 3.560 40 0 DHABRN Cc1ccc(-c2nn3c(nnc3C(F)(F)F)s2)c(Cl)c1 ZINC000073634365 191332882 /nfs/dbraw/zinc/33/28/82/191332882.db2.gz BFZDLGQRLGTTTE-UHFFFAOYSA-N 0 0 318.711 3.833 40 0 DHABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1Cl ZINC000074946819 191393155 /nfs/dbraw/zinc/39/31/55/191393155.db2.gz WXOHPSGGEDEXTJ-UHFFFAOYSA-N 0 0 301.773 3.547 40 0 DHABRN CCOc1ccccc1NC(=O)c1cc2sccc2n1C ZINC000004971094 181181927 /nfs/dbraw/zinc/18/19/27/181181927.db2.gz HUFSBQRAVGUWFS-UHFFFAOYSA-N 0 0 300.383 3.891 40 0 DHABRN OC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)OCO2 ZINC000004972398 181182299 /nfs/dbraw/zinc/18/22/99/181182299.db2.gz AZQPMMUDFUPTQL-UHFFFAOYSA-N 0 0 304.345 3.700 40 0 DHABRN CCOc1ccc(C(=O)NCc2ccccc2OC)cc1Cl ZINC000074949308 191394499 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311.360 3.816 40 0 DHABRN O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000020029849 182181152 /nfs/dbraw/zinc/18/11/52/182181152.db2.gz YJFHXBOCZREZQT-UHFFFAOYSA-N 0 0 319.279 3.645 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1 ZINC000020107382 182187720 /nfs/dbraw/zinc/18/77/20/182187720.db2.gz MEFPEBJYJXKFGW-QGZVFWFLSA-N 0 0 301.361 3.642 40 0 DHABRN CCCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000020107413 182187878 /nfs/dbraw/zinc/18/78/78/182187878.db2.gz MVXBYZAINQZIBY-CQSZACIVSA-N 0 0 313.397 3.975 40 0 DHABRN CCCC(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 ZINC000020411773 182215251 /nfs/dbraw/zinc/21/52/51/182215251.db2.gz JBGVSTVQACTINY-UHFFFAOYSA-N 0 0 306.387 3.600 40 0 DHABRN Cc1ccc(N)cc1NC(=O)c1ccc(Br)cc1 ZINC000020343309 182209809 /nfs/dbraw/zinc/20/98/09/182209809.db2.gz SAFHMDRBYNTVTN-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN Cc1cccc(COc2ccc(Br)cc2CO)c1 ZINC000020362788 182211792 /nfs/dbraw/zinc/21/17/92/182211792.db2.gz AYBGQAJAUUGRRH-UHFFFAOYSA-N 0 0 307.187 3.829 40 0 DHABRN COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000020447808 182217906 /nfs/dbraw/zinc/21/79/06/182217906.db2.gz MCUHXKALXZSNNU-UHFFFAOYSA-N 0 0 305.761 3.538 40 0 DHABRN CCOc1cccc(CNC(=O)CCCOc2ccccc2)c1 ZINC000020451605 182218546 /nfs/dbraw/zinc/21/85/46/182218546.db2.gz SXJGBMJPFQGZTC-UHFFFAOYSA-N 0 0 313.397 3.561 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000020452365 182218676 /nfs/dbraw/zinc/21/86/76/182218676.db2.gz BEGNLDBDQFKBBF-AWEZNQCLSA-N 0 0 313.397 3.972 40 0 DHABRN CCSc1ccccc1NC(=O)Cc1ccc(OC)cc1 ZINC000020456710 182219550 /nfs/dbraw/zinc/21/95/50/182219550.db2.gz HMCKSJDWKYIKIP-UHFFFAOYSA-N 0 0 301.411 3.988 40 0 DHABRN CCCCNC(=O)CS[C@H]1N=Nc2c3ccccc3[nH]c2N1 ZINC000020503041 182224819 /nfs/dbraw/zinc/22/48/19/182224819.db2.gz JYFCZHMOALVKHM-OAHLLOKOSA-N 0 0 317.418 3.610 40 0 DHABRN COc1ccc(Cl)cc1C(=O)N1c2ccccc2C[C@H]1C ZINC000020836796 182248521 /nfs/dbraw/zinc/24/85/21/182248521.db2.gz FGMKIHHWOJROJG-LLVKDONJSA-N 0 0 301.773 3.940 40 0 DHABRN O=C1C[C@@H](c2ccccc2)c2cc(Br)ccc2N1 ZINC000022053139 182306943 /nfs/dbraw/zinc/30/69/43/182306943.db2.gz NGZWCCIWYKYWDL-LBPRGKRZSA-N 0 0 302.171 3.923 40 0 in-vitro DHABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC(C)(C)C ZINC000022245660 182315296 /nfs/dbraw/zinc/31/52/96/182315296.db2.gz GVADHFLQXUILNZ-UHFFFAOYSA-N 0 0 307.394 3.863 40 0 DHABRN CCn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2cc(C)ccc21 ZINC000022234625 182314019 /nfs/dbraw/zinc/31/40/19/182314019.db2.gz FOTDDEQDQLSWNN-UHFFFAOYSA-N 0 0 324.355 3.721 40 0 DHABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(F)c1 ZINC000022237495 182314399 /nfs/dbraw/zinc/31/43/99/182314399.db2.gz HJRJNURVRDXPRJ-UHFFFAOYSA-N 0 0 313.357 3.905 40 0 DHABRN CCc1cccc(CC)c1NC(=O)c1cnc2ccccc2c1O ZINC000022233983 182314401 /nfs/dbraw/zinc/31/44/01/182314401.db2.gz MKFJVLOWTYFESB-UHFFFAOYSA-N 0 0 320.392 3.905 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)c(C)c1 ZINC000022508709 182324549 /nfs/dbraw/zinc/32/45/49/182324549.db2.gz FSQZVQVMGYSPOW-UHFFFAOYSA-N 0 0 311.381 3.661 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)c1 ZINC000022524783 182325092 /nfs/dbraw/zinc/32/50/92/182325092.db2.gz UVHHJLHDGSWHHH-CABCVRRESA-N 0 0 313.397 3.648 40 0 DHABRN O=C(CSCc1ccccc1F)Nc1ccc(F)c(F)c1 ZINC000023410861 182360305 /nfs/dbraw/zinc/36/03/05/182360305.db2.gz ZRFCUVBBIIWMAU-UHFFFAOYSA-N 0 0 311.328 3.976 40 0 DHABRN Cc1ccnc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 ZINC000027974650 182500890 /nfs/dbraw/zinc/50/08/90/182500890.db2.gz CTJREPYORUPPSB-CQSZACIVSA-N 0 0 306.365 3.949 40 0 DHABRN Cc1ccc(NC(=O)Cn2c(=O)cc(C)c3ccccc32)c(C)c1 ZINC000027995848 182503137 /nfs/dbraw/zinc/50/31/37/182503137.db2.gz HAHWDYQPYZLQTC-UHFFFAOYSA-N 0 0 320.392 3.565 40 0 DHABRN CCCn1nccc1C(=O)Nc1ccc(C)cc1Br ZINC000028304167 182519960 /nfs/dbraw/zinc/51/99/60/182519960.db2.gz LTNPODXBQMVZML-UHFFFAOYSA-N 0 0 322.206 3.616 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000030863709 182600125 /nfs/dbraw/zinc/60/01/25/182600125.db2.gz MCTWUCGDPVQQCN-INIZCTEOSA-N 0 0 323.845 3.911 40 0 DHABRN O=C(Nc1cccc(N2CCCC2)c1)c1cccnc1Cl ZINC000037981263 182951625 /nfs/dbraw/zinc/95/16/25/182951625.db2.gz JQUKDTIBHCYSHT-UHFFFAOYSA-N 0 0 301.777 3.588 40 0 DHABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(F)cc1 ZINC000038754975 183008692 /nfs/dbraw/zinc/00/86/92/183008692.db2.gz CBABDTVJEQZYDF-KRWDZBQOSA-N 0 0 315.388 3.916 40 0 DHABRN COc1ccccc1NC(=O)NCCOc1cc(C)cc(C)c1 ZINC000038901168 183013057 /nfs/dbraw/zinc/01/30/57/183013057.db2.gz AUUUIKZOMKRTAG-UHFFFAOYSA-N 0 0 314.385 3.513 40 0 DHABRN CC(C)(C)OC(=O)Nc1cccc([C@@H](O)c2ccccc2)n1 ZINC000039957267 183025103 /nfs/dbraw/zinc/02/51/03/183025103.db2.gz REWUHOBQURLVBC-HNNXBMFYSA-N 0 0 300.358 3.510 40 0 DHABRN OCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040389147 183060026 /nfs/dbraw/zinc/06/00/26/183060026.db2.gz JSCSNCYHPKGDMH-UHFFFAOYSA-N 0 0 318.376 3.761 40 0 DHABRN COc1cccc(OCC(=O)Nc2cccc3ccccc32)c1 ZINC000040946459 183150023 /nfs/dbraw/zinc/15/00/23/183150023.db2.gz MSFJTOCQEPRBQK-UHFFFAOYSA-N 0 0 307.349 3.866 40 0 DHABRN Cc1ccc(C(=O)NCc2nc(-c3ccccc3C)no2)cc1C ZINC000041152387 183178811 /nfs/dbraw/zinc/17/88/11/183178811.db2.gz XYNCYVLLIWLTGO-UHFFFAOYSA-N 0 0 321.380 3.592 40 0 DHABRN COCc1cccc(NC(=O)CSc2ccc(C)cc2)c1 ZINC000043750068 183385208 /nfs/dbraw/zinc/38/52/08/183385208.db2.gz UVONDJCNBFIVRD-UHFFFAOYSA-N 0 0 301.411 3.872 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C)cc1 ZINC000044903143 183453846 /nfs/dbraw/zinc/45/38/46/183453846.db2.gz KDKLFXSJQAAVMS-QGZVFWFLSA-N 0 0 301.361 3.608 40 0 DHABRN CCOC(=O)Cc1csc(Nc2cccc(Cl)c2C)n1 ZINC000105999849 194178118 /nfs/dbraw/zinc/17/81/18/194178118.db2.gz MEQCGNCZAJRPRN-UHFFFAOYSA-N 0 0 310.806 3.954 40 0 DHABRN Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000056173514 184006461 /nfs/dbraw/zinc/00/64/61/184006461.db2.gz ZEJKZFMKGRTLOJ-UHFFFAOYSA-N 0 0 324.424 3.705 40 0 DHABRN O=C(NCCSCc1ccccc1F)c1cccc(F)c1 ZINC000060906353 184157864 /nfs/dbraw/zinc/15/78/64/184157864.db2.gz IDTVMWBUWQUUON-UHFFFAOYSA-N 0 0 307.365 3.628 40 0 DHABRN Cc1ccc(CSCCNC(=O)Cc2ccc(C)cc2)cc1 ZINC000061058954 184160821 /nfs/dbraw/zinc/16/08/21/184160821.db2.gz DNSFMDFSKNWVHT-UHFFFAOYSA-N 0 0 313.466 3.896 40 0 DHABRN C[C@]12C[C@]34C[C@H]1[C@H]2C[C@H]3[C@]1(C)CCC[C@@](C)(CO)[C@H]1[C@H](O)C4 ZINC000065356767 184328578 /nfs/dbraw/zinc/32/85/78/184328578.db2.gz VZJITIJOGZFNRZ-WONHFVKKSA-N 0 0 304.474 3.608 40 0 DHABRN Cc1ccccc1OC[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC000065722129 184377585 /nfs/dbraw/zinc/37/75/85/184377585.db2.gz LSGHHCWYPKWFTE-AWEZNQCLSA-N 0 0 309.365 3.939 40 0 DHABRN CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)[C@@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118931555 194942374 /nfs/dbraw/zinc/94/23/74/194942374.db2.gz FTVVRNPVTQSSQO-ZUJGYIQBSA-N 0 0 318.457 3.504 40 0 DHABRN CCCSc1nc2sc3c(c2c(=O)n1CC)CCCC3 ZINC000004903026 256517426 /nfs/dbraw/zinc/51/74/26/256517426.db2.gz GWAFFSODFJDPBR-UHFFFAOYSA-N 0 0 308.472 3.859 40 0 DHABRN C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118931230 256585420 /nfs/dbraw/zinc/58/54/20/256585420.db2.gz MQKCILYFKAJWDB-LFGUEBOJSA-N 0 0 302.458 3.837 40 0 DHABRN O=c1c(Cl)c(Cl)c(Cl)nn1-c1ccc(Cl)cc1 ZINC000252484177 257106588 /nfs/dbraw/zinc/10/65/88/257106588.db2.gz FQMWMPBNIOCWGN-UHFFFAOYSA-N 0 0 309.967 3.846 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214052 257126015 /nfs/dbraw/zinc/12/60/15/257126015.db2.gz KWIXBKBTZIMZSD-QGZVFWFLSA-N 0 0 301.434 3.900 40 0 DHABRN CCN(C(=O)OC(C)(C)C)c1ccc(C2=NCCCC2)cn1 ZINC000072214629 257126348 /nfs/dbraw/zinc/12/63/48/257126348.db2.gz MYIHWHZPTSNCID-UHFFFAOYSA-N 0 0 303.406 3.816 40 0 DHABRN O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213785 257126701 /nfs/dbraw/zinc/12/67/01/257126701.db2.gz AFPINRBAQLRAMF-QGZVFWFLSA-N 0 0 307.397 3.633 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212991 257127128 /nfs/dbraw/zinc/12/71/28/257127128.db2.gz GRUINCSPJZAZSC-QGZVFWFLSA-N 0 0 303.450 3.778 40 0 DHABRN CCN(C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072212714 257127182 /nfs/dbraw/zinc/12/71/82/257127182.db2.gz WEMDHWZDKUMCAB-CQSZACIVSA-N 0 0 305.422 3.610 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212114 257127191 /nfs/dbraw/zinc/12/71/91/257127191.db2.gz QQRZSIOVZJXQBB-SFHVURJKSA-N 0 0 310.397 3.734 40 0 DHABRN CCCNc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213131 257127268 /nfs/dbraw/zinc/12/72/68/257127268.db2.gz IVRSJQYWJOJZDE-AWEZNQCLSA-N 0 0 305.422 3.976 40 0 DHABRN CNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072212472 257127491 /nfs/dbraw/zinc/12/74/91/257127491.db2.gz UVWPGTNVXQUVCJ-MRXNPFEDSA-N 0 0 311.385 3.597 40 0 DHABRN CC(C)C[C@H](N)c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716607 257129041 /nfs/dbraw/zinc/12/90/41/257129041.db2.gz DVLVMQDVFADKSO-ZDUSSCGKSA-N 0 0 319.792 3.702 40 0 DHABRN CCOc1cccc(NC(=O)CSCc2ccccc2)c1 ZINC000010294086 257218092 /nfs/dbraw/zinc/21/80/92/257218092.db2.gz BWKXHMRHFIIZSD-UHFFFAOYSA-N 0 0 301.411 3.957 40 0 DHABRN COc1ccccc1OCc1ccc(C(=O)N2CCCC2)cc1 ZINC000000998967 257219534 /nfs/dbraw/zinc/21/95/34/257219534.db2.gz PTGLRDGICLZVIA-UHFFFAOYSA-N 0 0 311.381 3.510 40 0 DHABRN CCN1c2ccccc2/C(=C\C2=Cc3ccccc3OC2)C1=O ZINC000409205210 257220686 /nfs/dbraw/zinc/22/06/86/257220686.db2.gz AHZNVCZTXHNDTM-SFQUDFHCSA-N 0 0 303.361 3.913 40 0 DHABRN CCc1ccccc1NC(=O)CN1Cc2cc(C)c(C)cc2C1 ZINC000409195500 257221510 /nfs/dbraw/zinc/22/15/10/257221510.db2.gz QCSLJEKAHQLZFJ-UHFFFAOYSA-N 0 0 308.425 3.820 40 0 DHABRN O=C1S[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409145951 257221804 /nfs/dbraw/zinc/22/18/04/257221804.db2.gz SSHFKSFFAYNFBE-HNNXBMFYSA-N 0 0 315.369 3.632 40 0 DHABRN Cc1nc2cc(NC(=O)Nc3ccc(N(C)C)cc3)ccc2n1C ZINC000409149196 257221805 /nfs/dbraw/zinc/22/18/05/257221805.db2.gz YYVJYQNAAYPZSK-UHFFFAOYSA-N 0 0 323.400 3.592 40 0 DHABRN CCCN1c2ccccc2/C(=C/c2ccc(C(=O)OC)cc2)C1=O ZINC000409117754 257222310 /nfs/dbraw/zinc/22/23/10/257222310.db2.gz OXXQKHXWEYYISJ-LGMDPLHJSA-N 0 0 321.376 3.770 40 0 DHABRN CCCn1c(Cc2ccccc2)nnc1Sc1ccccn1 ZINC000409092465 257223573 /nfs/dbraw/zinc/22/35/73/257223573.db2.gz YTXAPVXLCSHFKS-UHFFFAOYSA-N 0 0 310.426 3.825 40 0 DHABRN CCC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C(C)(C)C)C1 ZINC000408976757 257224622 /nfs/dbraw/zinc/22/46/22/257224622.db2.gz SAKLQHJWPVGRCX-INIZCTEOSA-N 0 0 308.809 3.687 40 0 DHABRN CCOc1cc(C)c(C=C2SC(=O)NC2=O)cc1C(C)C ZINC000408847220 257226085 /nfs/dbraw/zinc/22/60/85/257226085.db2.gz QCJWLFMWYYOFQI-RIYZIHGNSA-N 0 0 305.399 3.841 40 0 DHABRN CCC[C@H](C)NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O ZINC000408713297 257228158 /nfs/dbraw/zinc/22/81/58/257228158.db2.gz RTSBVFLZNNXBSZ-NSHDSACASA-N 0 0 320.820 3.593 40 0 DHABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3cccc(C)c3)o2)cc1 ZINC000408714649 257228165 /nfs/dbraw/zinc/22/81/65/257228165.db2.gz UCEFMFWPOQGRIP-UHFFFAOYSA-N 0 0 321.380 3.626 40 0 DHABRN O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1F ZINC000408530696 257230111 /nfs/dbraw/zinc/23/01/11/257230111.db2.gz QMQHESAUSWVPEK-UHFFFAOYSA-N 0 0 312.275 3.641 40 0 DHABRN Cc1ccc(-c2ccc(OC(=O)c3ccccc3C)nn2)cc1 ZINC000408528759 257230489 /nfs/dbraw/zinc/23/04/89/257230489.db2.gz KTMWAIYTCIFFCH-UHFFFAOYSA-N 0 0 304.349 3.980 40 0 DHABRN Cc1cccc(CNc2cc(Cl)nc(-c3ccncc3)n2)c1 ZINC000328989093 257231206 /nfs/dbraw/zinc/23/12/06/257231206.db2.gz IISRSFYPKMKDPA-UHFFFAOYSA-N 0 0 310.788 3.534 40 0 DHABRN S=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000013790686 257231667 /nfs/dbraw/zinc/23/16/67/257231667.db2.gz WXTMJABDRZGTII-UHFFFAOYSA-N 0 0 320.801 3.555 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)NCC2=CCCCC2)cc1 ZINC000224338936 257233010 /nfs/dbraw/zinc/23/30/10/257233010.db2.gz VOKYDILUFKYMSN-ZDUSSCGKSA-N 0 0 305.443 3.792 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2ccccc2Cl)C1 ZINC000228911211 257214576 /nfs/dbraw/zinc/21/45/76/257214576.db2.gz FYZLLCBDFIWOAX-CYBMUJFWSA-N 0 0 323.820 3.709 40 0 DHABRN CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC ZINC000015257093 257215256 /nfs/dbraw/zinc/21/52/56/257215256.db2.gz FBIPGCRLBUAKTF-MRXNPFEDSA-N 0 0 308.418 3.888 40 0 biogenic,in-vitro DHABRN FC(F)(F)CCn1cc(Cl)c(COCC(F)(F)F)n1 ZINC000408717117 257215438 /nfs/dbraw/zinc/21/54/38/257215438.db2.gz VXICFDJWBFVXNE-UHFFFAOYSA-N 0 0 310.625 3.568 40 0 DHABRN CCCCOCc1nn(CC(F)(F)F)cc1Br ZINC000408715886 257215443 /nfs/dbraw/zinc/21/54/43/257215443.db2.gz GHFIGXMSJIHSGU-UHFFFAOYSA-N 0 0 315.133 3.525 40 0 DHABRN CCCCOCc1c(Br)cnn1CC(F)(F)F ZINC000408715657 257215678 /nfs/dbraw/zinc/21/56/78/257215678.db2.gz CDSWXQJTULPXPW-UHFFFAOYSA-N 0 0 315.133 3.525 40 0 DHABRN O=C(Cc1ccncc1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000390834506 257260561 /nfs/dbraw/zinc/26/05/61/257260561.db2.gz ZWPMRGUAPFVKMR-GOSISDBHSA-N 0 0 310.372 3.516 40 0 DHABRN CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(F)cc1 ZINC000222860609 333405037 /nfs/dbraw/zinc/40/50/37/333405037.db2.gz UTOCCYUVJKIFMT-GOSISDBHSA-N 0 0 315.388 3.732 40 0 DHABRN COc1ccc(CC(=O)N[C@@H](C)CCc2ccccc2)cc1C ZINC000224520701 333409060 /nfs/dbraw/zinc/40/90/60/333409060.db2.gz BWOSOYYNCIOQQA-INIZCTEOSA-N 0 0 311.425 3.684 40 0 DHABRN Cc1cc(Cl)cc(C)c1C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000263401457 337627842 /nfs/dbraw/zinc/62/78/42/337627842.db2.gz IFHGQKJQOLVAGH-QGZVFWFLSA-N 0 0 317.816 3.742 40 0 DHABRN Cc1cccc(-c2cnc3n2CCN(C(=O)c2ccsc2)C3)c1 ZINC000306131116 534551202 /nfs/dbraw/zinc/55/12/02/534551202.db2.gz JXDODVKZTKJROW-UHFFFAOYSA-N 0 0 323.421 3.576 40 0 DHABRN CSc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000000571894 563631354 /nfs/dbraw/zinc/63/13/54/563631354.db2.gz VNYAQTJPAAJFIA-UHFFFAOYSA-N 0 0 307.440 3.826 40 0 DHABRN Cc1nn(CCC(=O)N[C@@H](c2cccs2)C(C)C)c(C)c1C ZINC000012200257 563364840 /nfs/dbraw/zinc/36/48/40/563364840.db2.gz CCJRVRHOURAEGU-QGZVFWFLSA-N 0 0 319.474 3.773 40 0 DHABRN Cc1ccc2[nH]c([C@H]3CCN(C(=O)Nc4ccccc4)C3)nc2c1 ZINC000049168705 560084973 /nfs/dbraw/zinc/08/49/73/560084973.db2.gz UNMGDLFLPRFTJM-AWEZNQCLSA-N 0 0 320.396 3.893 40 0 biogenic,in-vitro DHABRN Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[NH+](C)C ZINC000000150210 563224548 /nfs/dbraw/zinc/22/45/48/563224548.db2.gz MBCURXHJWNCGCZ-UHFFFAOYSA-N 0 0 308.381 3.690 40 0 DHABRN CCC(=O)Nc1nc(C)c(C(=O)Nc2cccc(Cl)c2)s1 ZINC000000412872 563252244 /nfs/dbraw/zinc/25/22/44/563252244.db2.gz IIHVUMONYYRMLV-UHFFFAOYSA-N 0 0 323.805 3.706 40 0 DHABRN CCc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 ZINC000000557381 563265891 /nfs/dbraw/zinc/26/58/91/563265891.db2.gz LPACTBAXLGCRRL-UHFFFAOYSA-N 0 0 323.352 3.601 40 0 DHABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CC(C)C ZINC000000558350 563266570 /nfs/dbraw/zinc/26/65/70/563266570.db2.gz VTJBPQSISGQCAL-UHFFFAOYSA-N 0 0 316.357 3.525 40 0 DHABRN Cc1cc(C)n2cc(CNc3cccc(C(F)(F)F)c3)nc2n1 ZINC000000576814 563267854 /nfs/dbraw/zinc/26/78/54/563267854.db2.gz IPTDEJWFVAHUTP-UHFFFAOYSA-N 0 0 320.318 3.977 40 0 DHABRN CCCC(=O)Nc1cc(C)c(NC(=O)c2ccccc2F)cn1 ZINC000001358318 563281509 /nfs/dbraw/zinc/28/15/09/563281509.db2.gz KNYXRMGEFHBMDI-UHFFFAOYSA-N 0 0 315.348 3.520 40 0 DHABRN Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)c1 ZINC000001343043 563281545 /nfs/dbraw/zinc/28/15/45/563281545.db2.gz PVDPSJWZLMLPRD-QGZVFWFLSA-N 0 0 323.396 3.630 40 0 DHABRN O=C(NC1CCCCC1)c1cccnc1NCc1ccccc1 ZINC000001340570 563281571 /nfs/dbraw/zinc/28/15/71/563281571.db2.gz DLUXXNKIOXSMIF-UHFFFAOYSA-N 0 0 309.413 3.756 40 0 DHABRN C[C@@]12C[C@]3(Nc4ccccc4[C@]3(C)O)O[C@]1(C)c1ccccc1N2 ZINC000001584395 563286367 /nfs/dbraw/zinc/28/63/67/563286367.db2.gz RTQHPAOPTVJQGO-WCIQWLHISA-N 0 0 322.408 3.536 40 0 DHABRN COC(=O)c1ccc2ccccc2c1C(=O)c1ccc(F)cc1 ZINC000001602136 563287611 /nfs/dbraw/zinc/28/76/11/563287611.db2.gz VHFMIBXWUAQCFO-UHFFFAOYSA-N 0 0 308.308 3.997 40 0 DHABRN Cc1cc(CC(O)(C(F)(F)Cl)C(F)(F)Cl)cc(C)n1 ZINC000001614913 563288157 /nfs/dbraw/zinc/28/81/57/563288157.db2.gz LZUVAJDQVUTZNW-UHFFFAOYSA-N 0 0 320.113 3.635 40 0 DHABRN CN(C)C(=S)SCCOc1ccc(Cl)cc1Cl ZINC000001615383 563288234 /nfs/dbraw/zinc/28/82/34/563288234.db2.gz GQZMXCQTCJZLDT-UHFFFAOYSA-N 0 0 310.271 3.952 40 0 DHABRN COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@@H]12 ZINC000001642095 563288736 /nfs/dbraw/zinc/28/87/36/563288736.db2.gz INHMMEWBTMZXLR-VUHPKUFZSA-N 0 0 300.398 3.847 40 0 DHABRN O=C(c1ccc2ccccc2n1)[C@H](O)c1ccc2ccccc2n1 ZINC000001668716 563290057 /nfs/dbraw/zinc/29/00/57/563290057.db2.gz TXCWGFLXCXNBQM-LJQANCHMSA-N 0 0 314.344 3.699 40 0 DHABRN COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000001665264 563290103 /nfs/dbraw/zinc/29/01/03/563290103.db2.gz CFSCUZCDZNJHCM-OAHLLOKOSA-N 0 0 302.757 3.870 40 0 DHABRN CCCC[C@H](S[C@](CC)(C(C)=O)c1ccccc1)C(N)=O ZINC000001705163 563291986 /nfs/dbraw/zinc/29/19/86/563291986.db2.gz SCPUGINXZWJRNA-DOTOQJQBSA-N 0 0 307.459 3.658 40 0 DHABRN Cc1ccc(N2CCN(C(=S)c3cccs3)CC2)cc1 ZINC000001730960 563293810 /nfs/dbraw/zinc/29/38/10/563293810.db2.gz VLLUDPJTCFDJAV-UHFFFAOYSA-N 0 0 302.468 3.554 40 0 DHABRN COc1ccc(CCNC(=S)Nc2ccc(C)cc2)cc1 ZINC000003180464 563322957 /nfs/dbraw/zinc/32/29/57/563322957.db2.gz GAKCMPRAJKWJRR-UHFFFAOYSA-N 0 0 300.427 3.533 40 0 DHABRN Cc1ccccc1N1CSc2nnc(-c3ccccc3)n2C1 ZINC000003843313 563325561 /nfs/dbraw/zinc/32/55/61/563325561.db2.gz HIGNGZWASNZHPJ-UHFFFAOYSA-N 0 0 308.410 3.781 40 0 DHABRN CC(C)c1nc2sc3c(c2c2n[nH]c(=S)n21)CC[C@@H](C)C3 ZINC000035312166 563331681 /nfs/dbraw/zinc/33/16/81/563331681.db2.gz AUQFTNDXIDOZGG-MRVPVSSYSA-N 0 0 318.471 3.876 40 0 DHABRN Cc1cc(C)c(S(=O)(=O)NC[C@H](C)c2ccccc2)c(C)c1 ZINC000007309584 563337925 /nfs/dbraw/zinc/33/79/25/563337925.db2.gz GAEWQWVCTVGQMK-INIZCTEOSA-N 0 0 317.454 3.694 40 0 DHABRN CCOc1ccc(NC(=S)NCc2ccc(F)cc2)cc1 ZINC000007518213 563339107 /nfs/dbraw/zinc/33/91/07/563339107.db2.gz DDSXORNLZUTEHL-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN CCc1ccccc1NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000008061470 563344120 /nfs/dbraw/zinc/34/41/20/563344120.db2.gz OHKLDEPKWMRMGX-UHFFFAOYSA-N 0 0 321.380 3.870 40 0 DHABRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=O)c(C)c1 ZINC000008369193 563346480 /nfs/dbraw/zinc/34/64/80/563346480.db2.gz CWIVNLKNGRBWAD-UHFFFAOYSA-N 0 0 317.772 3.787 40 0 DHABRN CN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12 ZINC000008615388 563348128 /nfs/dbraw/zinc/34/81/28/563348128.db2.gz PWVLZAWWMIOCEB-GCAZHLJYSA-N 0 0 317.473 3.726 40 0 DHABRN O=C(C[C@@H]1CCCO1)N[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000036719549 563354767 /nfs/dbraw/zinc/35/47/67/563354767.db2.gz DBHYFDDKMQQRBN-VYMYIBDJSA-N 0 0 313.441 3.644 40 0 DHABRN COC(=O)c1cccc(NC(=O)Cc2ccc(C)c(C)c2)c1C ZINC000010009811 563355253 /nfs/dbraw/zinc/35/52/53/563355253.db2.gz FDSAUWFUFLKCHW-UHFFFAOYSA-N 0 0 311.381 3.580 40 0 DHABRN Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccccc1O)C2 ZINC000010156802 563355472 /nfs/dbraw/zinc/35/54/72/563355472.db2.gz KTWGFIOLACTWOZ-CQSZACIVSA-N 0 0 318.376 3.799 40 0 DHABRN Cc1cc(C)c(NC(=O)CCc2ccc3c(c2)OCO3)c(C)c1 ZINC000010404637 563356682 /nfs/dbraw/zinc/35/66/82/563356682.db2.gz XOEXJJSDQSDZND-UHFFFAOYSA-N 0 0 311.381 3.912 40 0 DHABRN COc1ccccc1CNC(=O)CCc1ccc(Cl)cc1 ZINC000010412213 563356877 /nfs/dbraw/zinc/35/68/77/563356877.db2.gz ILJWOQLODKUZBE-UHFFFAOYSA-N 0 0 303.789 3.598 40 0 DHABRN Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000010994989 563358059 /nfs/dbraw/zinc/35/80/59/563358059.db2.gz ZXOKEBQVNXRFPV-UHFFFAOYSA-N 0 0 305.377 3.957 40 0 DHABRN COc1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1OC ZINC000010776086 563358404 /nfs/dbraw/zinc/35/84/04/563358404.db2.gz KRTSXZCDVWARNG-ZRDIBKRKSA-N 0 0 303.402 3.508 40 0 DHABRN CC(=O)N1c2ccc(-c3cn4cc(C)ccc4n3)cc2C[C@@H]1C ZINC000012088208 563361676 /nfs/dbraw/zinc/36/16/76/563361676.db2.gz OIBUCPMHYIRHPO-ZDUSSCGKSA-N 0 0 305.381 3.607 40 0 DHABRN Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)c3ccncc3)nc2c1 ZINC000012116174 563361768 /nfs/dbraw/zinc/36/17/68/563361768.db2.gz MDVKBAGFNYKKHL-QGZVFWFLSA-N 0 0 320.396 3.634 40 0 DHABRN C[C@@H]1Cc2cc(-c3cn4ccccc4n3)ccc2N1C(=O)C1CC1 ZINC000012088192 563361900 /nfs/dbraw/zinc/36/19/00/563361900.db2.gz VFYDEMAZPLLCST-CYBMUJFWSA-N 0 0 317.392 3.689 40 0 DHABRN CCC[C@@H]1c2cccn2CCN1C(=O)c1nc2cc(C)ccc2[nH]1 ZINC000012147486 563363040 /nfs/dbraw/zinc/36/30/40/563363040.db2.gz YGGBUMQBDUGJPL-QGZVFWFLSA-N 0 0 322.412 3.670 40 0 DHABRN CCn1c(C)cc2cc(NC(=O)c3cnc(C)nc3C)ccc21 ZINC000012148377 563363357 /nfs/dbraw/zinc/36/33/57/563363357.db2.gz FCQSKTXWTGCADV-UHFFFAOYSA-N 0 0 308.385 3.629 40 0 DHABRN CCCn1nc(C)c(CN2CCn3cccc3[C@H]2C(C)C)c1C ZINC000012188589 563363698 /nfs/dbraw/zinc/36/36/98/563363698.db2.gz BJZLXTJUVFPNLT-LJQANCHMSA-N 0 0 314.477 3.924 40 0 DHABRN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCCC[C@@H]1CCOC1 ZINC000012204058 563364588 /nfs/dbraw/zinc/36/45/88/563364588.db2.gz RTSGVZISURIDPO-OAHLLOKOSA-N 0 0 314.429 3.640 40 0 DHABRN Cc1nn(CCC(=O)N[C@H](c2cccs2)C(C)C)c(C)c1C ZINC000012200262 563364730 /nfs/dbraw/zinc/36/47/30/563364730.db2.gz CCJRVRHOURAEGU-KRWDZBQOSA-N 0 0 319.474 3.773 40 0 DHABRN CC(=O)c1cc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cs1 ZINC000012325879 563365978 /nfs/dbraw/zinc/36/59/78/563365978.db2.gz HIXVOGABKIGRFJ-CQSZACIVSA-N 0 0 305.443 3.993 40 0 DHABRN O=C(c1ccc(F)cc1)N1CCC(c2cc3cccnc3[nH]2)CC1 ZINC000012337514 563366545 /nfs/dbraw/zinc/36/65/45/563366545.db2.gz PQRIDIWMYBSJRK-UHFFFAOYSA-N 0 0 323.371 3.722 40 0 DHABRN Cc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000013647122 563384363 /nfs/dbraw/zinc/38/43/63/563384363.db2.gz JXNYKUHIZSNCFE-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN COc1cccc(OC)c1C(=O)N[C@H](C)c1cc(C)ccc1C ZINC000013671949 563385562 /nfs/dbraw/zinc/38/55/62/563385562.db2.gz FDIXOMBTGGTSRJ-CQSZACIVSA-N 0 0 313.397 3.812 40 0 DHABRN S=C(Nc1ccc2c(c1)OCO2)NC1CCCCCCC1 ZINC000013818556 563390007 /nfs/dbraw/zinc/39/00/07/563390007.db2.gz ODZBHRLGRLKDKX-UHFFFAOYSA-N 0 0 306.431 3.815 40 0 DHABRN COc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1OC ZINC000013935015 563392794 /nfs/dbraw/zinc/39/27/94/563392794.db2.gz CCIZJRJQLONBRY-LBPRGKRZSA-N 0 0 316.426 3.751 40 0 DHABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000013994712 563394041 /nfs/dbraw/zinc/39/40/41/563394041.db2.gz DPKXLKYZLCFERZ-KRWDZBQOSA-N 0 0 311.381 3.994 40 0 DHABRN Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cccc(Cl)c2)n1 ZINC000036612061 563407808 /nfs/dbraw/zinc/40/78/08/563407808.db2.gz JUKLXIRMCDQFTN-NSHDSACASA-N 0 0 320.824 3.611 40 0 DHABRN Cc1ccc(C)c(-n2ncc3c2ncnc3N2CCC[C@H](C)C2)c1 ZINC000015880893 563410825 /nfs/dbraw/zinc/41/08/25/563410825.db2.gz LIWJPMXVOSLQCB-AWEZNQCLSA-N 0 0 321.428 3.669 40 0 DHABRN COCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 ZINC000025336162 563422971 /nfs/dbraw/zinc/42/29/71/563422971.db2.gz ZKSORLHLZKILFB-GFCCVEGCSA-N 0 0 319.788 3.892 40 0 DHABRN Cc1cccc(Nc2c(C(=O)[O-])c[nH+]c3cc4c(cc32)OCO4)c1 ZINC000031771934 563440327 /nfs/dbraw/zinc/44/03/27/563440327.db2.gz RZDNINADOPZUBT-UHFFFAOYSA-N 0 0 322.320 3.714 40 0 DHABRN COc1ccc(CN2COc3c(cc(C)c4cccnc43)C2)cc1 ZINC000031750089 563440779 /nfs/dbraw/zinc/44/07/79/563440779.db2.gz UHZFROOPBQWGTM-UHFFFAOYSA-N 0 0 320.392 3.904 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1C ZINC000032476010 563442831 /nfs/dbraw/zinc/44/28/31/563442831.db2.gz QWLKKBJSXUKKDY-DOTOQJQBSA-N 0 0 311.425 3.991 40 0 DHABRN Cc1ncc([C@H](O)c2ccc(Cl)cc2)c2c1OC(C)(C)OC2 ZINC000034620501 563451054 /nfs/dbraw/zinc/45/10/54/563451054.db2.gz SVZOJRDBMRXDLL-OAHLLOKOSA-N 0 0 319.788 3.770 40 0 in-vitro DHABRN Cc1cccc(COc2ccc(CO)cc2Br)c1 ZINC000034772913 563451160 /nfs/dbraw/zinc/45/11/60/563451160.db2.gz HGTRLOVQJRRFPJ-UHFFFAOYSA-N 0 0 307.187 3.829 40 0 DHABRN CCOc1cc(CO)cc(Br)c1O[C@H](C)CC ZINC000034772846 563451180 /nfs/dbraw/zinc/45/11/80/563451180.db2.gz IHOMCXVTIBFMNL-SECBINFHSA-N 0 0 303.196 3.517 40 0 DHABRN Cc1ccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)cc1C ZINC000036635446 563456575 /nfs/dbraw/zinc/45/65/75/563456575.db2.gz LJEVBRVFXBFYJK-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1nc2ccc(NC(=O)OCc3ccccc3)cc2nc1C ZINC000074818914 563459656 /nfs/dbraw/zinc/45/96/56/563459656.db2.gz PHUFQZBHQPVPDG-UHFFFAOYSA-N 0 0 307.353 3.995 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)NC2CCCCCCC2)c1 ZINC000044840656 563462243 /nfs/dbraw/zinc/46/22/43/563462243.db2.gz FSJVRZZAXZEBRE-AWEZNQCLSA-N 0 0 305.418 3.692 40 0 DHABRN O=S(=O)(NC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000044900181 563463618 /nfs/dbraw/zinc/46/36/18/563463618.db2.gz WUPVYGMJVAGFQY-UHFFFAOYSA-N 0 0 317.410 3.700 40 0 DHABRN COc1ccc(CC(=O)NCc2ccc3ccccc3c2)cc1 ZINC000045201205 563464880 /nfs/dbraw/zinc/46/48/80/563464880.db2.gz FERMASOFEHZSMV-UHFFFAOYSA-N 0 0 305.377 3.707 40 0 DHABRN COc1ccccc1NC(=O)NCc1cccc(OC(C)C)c1 ZINC000047321942 563465983 /nfs/dbraw/zinc/46/59/83/563465983.db2.gz BIGUZHAHDOIPAG-UHFFFAOYSA-N 0 0 314.385 3.804 40 0 DHABRN CSc1nc(N)cc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000049467385 563467774 /nfs/dbraw/zinc/46/77/74/563467774.db2.gz RQCGLMRWDJWAKX-UHFFFAOYSA-N 0 0 301.202 3.831 40 0 DHABRN C[C@H](COc1ccccc1)NC(=O)c1ccc(Cl)cc1F ZINC000055732781 563476967 /nfs/dbraw/zinc/47/69/67/563476967.db2.gz OFYRTQDDLHIVIV-LLVKDONJSA-N 0 0 307.752 3.676 40 0 DHABRN O=C(CCc1ccccc1F)NCCOc1ccc(Cl)cc1 ZINC000060676010 563479207 /nfs/dbraw/zinc/47/92/07/563479207.db2.gz LTTWGFPSGMPDIF-UHFFFAOYSA-N 0 0 321.779 3.607 40 0 DHABRN C[C@@](Cl)(C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096518307 563486365 /nfs/dbraw/zinc/48/63/65/563486365.db2.gz QYBYTKNVYHBVEQ-INIZCTEOSA-N 0 0 322.813 3.536 40 0 DHABRN Cc1ccc(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)o1 ZINC000096057908 563532745 /nfs/dbraw/zinc/53/27/45/563532745.db2.gz DIUVUJSBVZZRRZ-IPMKNSEASA-N 0 0 319.445 3.527 40 0 DHABRN CC(=O)N1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC000096241711 563536351 /nfs/dbraw/zinc/53/63/51/563536351.db2.gz DRVWUSGEVHQHSA-UHFFFAOYSA-N 0 0 306.409 3.575 40 0 DHABRN Cc1c(F)ccc(Br)c1I ZINC000097436570 563539623 /nfs/dbraw/zinc/53/96/23/563539623.db2.gz GAVAKANTRHDIDC-UHFFFAOYSA-N 0 0 314.923 3.501 40 0 DHABRN Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)c(C)c1 ZINC000101275328 563557116 /nfs/dbraw/zinc/55/71/16/563557116.db2.gz SPQADAGXBLOZTP-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12 ZINC000104308213 563563764 /nfs/dbraw/zinc/56/37/64/563563764.db2.gz INHMMEWBTMZXLR-DFEOGRTESA-N 0 0 300.398 3.847 40 0 DHABRN C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1 ZINC000107152557 563566127 /nfs/dbraw/zinc/56/61/27/563566127.db2.gz OERBCTOEIDCJQR-GFCCVEGCSA-N 0 0 318.214 3.869 40 0 DHABRN COc1ccc(/C=C/C(=O)Oc2ccccc2Cl)c(OC)c1 ZINC000000147525 563573464 /nfs/dbraw/zinc/57/34/64/563573464.db2.gz GAPSELWCGSWTSL-CSKARUKUSA-N 0 0 318.756 3.976 40 0 DHABRN COc1cccc(NC(=O)c2cc3cc(OC)ccc3nc2C)c1 ZINC000045716678 563574078 /nfs/dbraw/zinc/57/40/78/563574078.db2.gz FHSVAHFCXLNZKV-UHFFFAOYSA-N 0 0 322.364 3.813 40 0 DHABRN CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccccc2)c1 ZINC000113969741 563586208 /nfs/dbraw/zinc/58/62/08/563586208.db2.gz YGDBVSHXBGKGNY-GOSISDBHSA-N 0 0 313.397 3.559 40 0 DHABRN COc1ccc([C@H](C)NC(=O)COc2cccc(Cl)c2)cc1 ZINC000113969346 563586342 /nfs/dbraw/zinc/58/63/42/563586342.db2.gz IMAPULHZVVJOII-LBPRGKRZSA-N 0 0 319.788 3.605 40 0 DHABRN CCCOc1ccc(C(=O)NCc2ccccc2)cc1OCC ZINC000005557733 563590768 /nfs/dbraw/zinc/59/07/68/563590768.db2.gz QUVYBUASEVPNEV-UHFFFAOYSA-N 0 0 313.397 3.804 40 0 DHABRN CCCn1cc(/C=C2\SC(=O)N(C)C2=O)c2ccccc21 ZINC000006325149 563592113 /nfs/dbraw/zinc/59/21/13/563592113.db2.gz XCPANTMBUJHALF-ZROIWOOFSA-N 0 0 300.383 3.717 40 0 DHABRN CCCN1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O ZINC000006629579 563594712 /nfs/dbraw/zinc/59/47/12/563594712.db2.gz VJVCHSPSXUCQQO-NTCAYCPXSA-N 0 0 312.394 3.924 40 0 DHABRN Cc1cc(C(N)=O)cc(C)c1OC(=O)c1ccc(C(C)C)cc1 ZINC000226773547 563605405 /nfs/dbraw/zinc/60/54/05/563605405.db2.gz MGMBDOMWYNVPIR-UHFFFAOYSA-N 0 0 311.381 3.745 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1 ZINC000051354271 563606869 /nfs/dbraw/zinc/60/68/69/563606869.db2.gz WPSBMRCBSIEDOI-UHFFFAOYSA-N 0 0 314.341 3.516 40 0 DHABRN CCN(CC)c1ccc2c(C)c(Br)c(=O)oc2c1 ZINC000000362982 563608058 /nfs/dbraw/zinc/60/80/58/563608058.db2.gz ZUEYCRIQERASHX-UHFFFAOYSA-N 0 0 310.191 3.710 40 0 DHABRN CCc1cc2ccccc2nc1SCC(=O)N(CC)CC ZINC000000413284 563608795 /nfs/dbraw/zinc/60/87/95/563608795.db2.gz ADNNKFZUDQQFSF-UHFFFAOYSA-N 0 0 302.443 3.758 40 0 DHABRN CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCC1 ZINC000000413580 563609060 /nfs/dbraw/zinc/60/90/60/563609060.db2.gz AJHPQOBTHBYNFJ-UHFFFAOYSA-N 0 0 314.454 3.820 40 0 DHABRN CCC[C@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000137289093 563611371 /nfs/dbraw/zinc/61/13/71/563611371.db2.gz UREHTHJJGQMROH-NSHDSACASA-N 0 0 321.808 3.627 40 0 DHABRN CCN(CC)C(=O)CSc1nc(C(C)C)nc2ccccc21 ZINC000001342855 563620315 /nfs/dbraw/zinc/62/03/15/563620315.db2.gz BKZMJXDGLBJDNV-UHFFFAOYSA-N 0 0 317.458 3.714 40 0 DHABRN CCC(=O)N(CC(C)C)c1nnc(-c2ccc(C)cc2)s1 ZINC000001356392 563620930 /nfs/dbraw/zinc/62/09/30/563620930.db2.gz NYKCCIDGUDISTI-UHFFFAOYSA-N 0 0 303.431 3.913 40 0 DHABRN CNc1nc(Nc2c(F)cccc2F)cc(C(F)(F)F)n1 ZINC000161744406 563626977 /nfs/dbraw/zinc/62/69/77/563626977.db2.gz AFYQVMFTASLONI-UHFFFAOYSA-N 0 0 304.222 3.559 40 0 DHABRN Ic1ccccc1CNc1ccccc1 ZINC000001870449 563634369 /nfs/dbraw/zinc/63/43/69/563634369.db2.gz AIKGDMPRMHKYLV-UHFFFAOYSA-N 0 0 309.150 3.903 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 ZINC000001930532 563634533 /nfs/dbraw/zinc/63/45/33/563634533.db2.gz DQSGNMOMMDOAPO-DHZHZOJOSA-N 0 0 313.328 3.654 40 0 DHABRN COc1ccc(N(C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000006734337 563638308 /nfs/dbraw/zinc/63/83/08/563638308.db2.gz WZWAUSPTKNLUEP-UHFFFAOYSA-N 0 0 313.382 3.973 40 0 DHABRN COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C(C)C ZINC000007361258 563640614 /nfs/dbraw/zinc/64/06/14/563640614.db2.gz KQRPPBGQVPJNCB-UHFFFAOYSA-N 0 0 319.426 3.928 40 0 DHABRN CCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000007971512 563640966 /nfs/dbraw/zinc/64/09/66/563640966.db2.gz NSIJAPSXLACFHB-UHFFFAOYSA-N 0 0 315.369 3.745 40 0 DHABRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O ZINC000007881951 563641014 /nfs/dbraw/zinc/64/10/14/563641014.db2.gz RHVKUHWNXLCWBM-MRXNPFEDSA-N 0 0 322.408 3.549 40 0 DHABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)c1 ZINC000007882287 563641101 /nfs/dbraw/zinc/64/11/01/563641101.db2.gz KDYOFADDLOAOMI-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSC(C)(C)C ZINC000008041230 563641172 /nfs/dbraw/zinc/64/11/72/563641172.db2.gz VRHKNWPBYVKHBX-OAHLLOKOSA-N 0 0 309.475 3.800 40 0 DHABRN C[C@@H](OC(=O)[C@@H]1C[C@@H]1C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000108854222 563642117 /nfs/dbraw/zinc/64/21/17/563642117.db2.gz HMTMJPKOYIKJIV-JOAULVNJSA-N 0 0 316.184 3.520 40 0 DHABRN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 ZINC000008479926 563643021 /nfs/dbraw/zinc/64/30/21/563643021.db2.gz BZUVKFJOVMIUJL-HNNXBMFYSA-N 0 0 311.381 3.912 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(C)cc1 ZINC000008495579 563643034 /nfs/dbraw/zinc/64/30/34/563643034.db2.gz BRPOKKKSLSDAIO-INIZCTEOSA-N 0 0 301.361 3.608 40 0 DHABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1nccs1 ZINC000008908379 563644925 /nfs/dbraw/zinc/64/49/25/563644925.db2.gz PYMNHQNIICLJAH-UHFFFAOYSA-N 0 0 303.170 3.711 40 0 DHABRN O=C(Cc1ccc2ccccc2c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170675480 563648286 /nfs/dbraw/zinc/64/82/86/563648286.db2.gz YLVZCMRNPOLWBC-GOSISDBHSA-N 0 0 319.408 3.512 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(COC)c1 ZINC000175245590 563651681 /nfs/dbraw/zinc/65/16/81/563651681.db2.gz LKYBONVRCIVLIK-INIZCTEOSA-N 0 0 317.360 3.768 40 0 DHABRN CCC1(COc2ccc(I)cn2)CCC1 ZINC000095093873 563651733 /nfs/dbraw/zinc/65/17/33/563651733.db2.gz QCOBSGCJTLWIPF-UHFFFAOYSA-N 0 0 317.170 3.645 40 0 DHABRN COc1cccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)c1 ZINC000012566067 563652831 /nfs/dbraw/zinc/65/28/31/563652831.db2.gz YEIDQFPJJVWXMV-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN CCc1ccc2[nH]c(=O)c(CNc3ccc4n[nH]cc4c3)cc2c1 ZINC000013086653 563655661 /nfs/dbraw/zinc/65/56/61/563655661.db2.gz WMKPQNDCLIGRHJ-UHFFFAOYSA-N 0 0 318.380 3.579 40 0 DHABRN Cc1ccccc1-c1nc2cnccn2c1NCc1ccco1 ZINC000013564793 563660155 /nfs/dbraw/zinc/66/01/55/563660155.db2.gz UEPDFHZRYMZGCH-UHFFFAOYSA-N 0 0 304.353 3.910 40 0 DHABRN COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccco2)CC3=O)cc1 ZINC000014164228 563665674 /nfs/dbraw/zinc/66/56/74/563665674.db2.gz MQQZZBDNVLUHII-CYBMUJFWSA-N 0 0 322.364 3.695 40 0 DHABRN CCc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000014291455 563667418 /nfs/dbraw/zinc/66/74/18/563667418.db2.gz BYIHEKXAMLDOAS-UHFFFAOYSA-N 0 0 309.818 3.844 40 0 DHABRN Cc1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1C ZINC000014399275 563668284 /nfs/dbraw/zinc/66/82/84/563668284.db2.gz ORHDXIRUVVOPPS-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN Cc1ccc(CSCC(=O)N2CCc3ccccc3C2)cc1 ZINC000020237714 563674090 /nfs/dbraw/zinc/67/40/90/563674090.db2.gz RPVSGCHELJTDLC-UHFFFAOYSA-N 0 0 311.450 3.813 40 0 DHABRN COc1cccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000195550065 563679393 /nfs/dbraw/zinc/67/93/93/563679393.db2.gz FRVURFNKJWXAQL-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN CCOc1ccc(C)cc1NC(=O)c1cc(N)ccc1Cl ZINC000216877484 563712292 /nfs/dbraw/zinc/71/22/92/563712292.db2.gz VEVYWBZZSKSLQR-UHFFFAOYSA-N 0 0 304.777 3.882 40 0 DHABRN Cc1ccc(CC(=O)N[C@@H](C)COc2ccccc2C)cc1C ZINC000218808338 563716695 /nfs/dbraw/zinc/71/66/95/563716695.db2.gz RZCWAKVGJCOEOE-KRWDZBQOSA-N 0 0 311.425 3.738 40 0 DHABRN Cc1ccc(CCCNC(=O)COc2cc(C)ccc2C)cc1 ZINC000218950404 563717605 /nfs/dbraw/zinc/71/76/05/563717605.db2.gz BSFWQIMTHSWCQN-UHFFFAOYSA-N 0 0 311.425 3.740 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2)c(C)c1 ZINC000219527776 563719606 /nfs/dbraw/zinc/71/96/06/563719606.db2.gz KBDSKSMAAWLWGU-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN C[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 ZINC000219484483 563719828 /nfs/dbraw/zinc/71/98/28/563719828.db2.gz PPRFLIKOUSVANA-CQSZACIVSA-N 0 0 317.816 3.856 40 0 DHABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccccc1 ZINC000219589400 563720381 /nfs/dbraw/zinc/72/03/81/563720381.db2.gz ABSDRZWOHUVRPJ-LJQANCHMSA-N 0 0 311.425 3.901 40 0 DHABRN Cc1ccc(-c2nc3cnccn3c2NCc2ccco2)s1 ZINC000057721468 563720817 /nfs/dbraw/zinc/72/08/17/563720817.db2.gz BWNGISVMGWSOFG-UHFFFAOYSA-N 0 0 310.382 3.971 40 0 DHABRN COC(=O)c1cn(C(=O)c2cc(C)ccc2C)c2ccccc12 ZINC000222646215 563727090 /nfs/dbraw/zinc/72/70/90/563727090.db2.gz VWUTYJFCFQPLLZ-UHFFFAOYSA-N 0 0 307.349 3.733 40 0 DHABRN CCN1C(=O)S/C(=C/c2ccccc2Br)C1=O ZINC000096565178 563774597 /nfs/dbraw/zinc/77/45/97/563774597.db2.gz WMDPRBFKVHYZNA-JXMROGBWSA-N 0 0 312.188 3.505 40 0 DHABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222903450 563729457 /nfs/dbraw/zinc/72/94/57/563729457.db2.gz RQDFZZKVXRITIR-HOTGVXAUSA-N 0 0 315.442 3.612 40 0 DHABRN COc1cccc(N(C)C(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000222964571 563729939 /nfs/dbraw/zinc/72/99/39/563729939.db2.gz VPVORDSJJWFHPB-UHFFFAOYSA-N 0 0 309.287 3.991 40 0 DHABRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 ZINC000223184131 563731018 /nfs/dbraw/zinc/73/10/18/563731018.db2.gz HHMPSUSMXASZDZ-CQSZACIVSA-N 0 0 315.438 3.523 40 0 DHABRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000223173246 563731306 /nfs/dbraw/zinc/73/13/06/563731306.db2.gz KBVWBWBHXSSKCL-CYBMUJFWSA-N 0 0 313.463 3.594 40 0 DHABRN COc1ccccc1CCCNC(=O)CCc1ccccc1F ZINC000223209613 563731813 /nfs/dbraw/zinc/73/18/13/563731813.db2.gz VTXUCSTZPVSROR-UHFFFAOYSA-N 0 0 315.388 3.516 40 0 DHABRN COC(=O)[C@H](C(C)C)N1c2cc(OC)ccc2C(C)=CC1(C)C ZINC000223211505 563731883 /nfs/dbraw/zinc/73/18/83/563731883.db2.gz QLMAHRYHPPYYAB-KRWDZBQOSA-N 0 0 317.429 3.895 40 0 DHABRN CCN(Cc1ccccc1)C(=O)CCc1ccc(OC)c(C)c1 ZINC000223391741 563733328 /nfs/dbraw/zinc/73/33/28/563733328.db2.gz RDCMGIUYRVQSQH-UHFFFAOYSA-N 0 0 311.425 3.985 40 0 DHABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccccc1 ZINC000223340570 563733339 /nfs/dbraw/zinc/73/33/39/563733339.db2.gz VTFRBGYQZIXAGW-MRXNPFEDSA-N 0 0 323.436 3.991 40 0 DHABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1Cl ZINC000223319674 563733348 /nfs/dbraw/zinc/73/33/48/563733348.db2.gz IAWBWUZKFVSPAO-UHFFFAOYSA-N 0 0 310.180 3.932 40 0 DHABRN CCc1ccc(OCCNC(=O)CSc2ccccc2)cc1 ZINC000223387835 563733504 /nfs/dbraw/zinc/73/35/04/563733504.db2.gz MJDOVJVMZXFIHB-UHFFFAOYSA-N 0 0 315.438 3.536 40 0 DHABRN Cc1ccc(CSCCNC(=O)Cc2ccc(F)cc2)cc1 ZINC000223347844 563733602 /nfs/dbraw/zinc/73/36/02/563733602.db2.gz BBEKQLOBUDPHTR-UHFFFAOYSA-N 0 0 317.429 3.726 40 0 DHABRN Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1C ZINC000223557342 563734684 /nfs/dbraw/zinc/73/46/84/563734684.db2.gz NKEMALUTEHYPDY-UHFFFAOYSA-N 0 0 303.789 3.766 40 0 DHABRN COc1ccccc1CCCNC(=O)Cc1cccc(Cl)c1 ZINC000223760385 563735881 /nfs/dbraw/zinc/73/58/81/563735881.db2.gz MZWQLCKUIWZSSY-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN CC(C)(C)NC(=S)Nc1ncc(Cl)cc1Br ZINC000223879996 563737909 /nfs/dbraw/zinc/73/79/09/563737909.db2.gz BYWPJWVQWDWYAL-UHFFFAOYSA-N 0 0 322.659 3.582 40 0 DHABRN CCc1ccc(CC(=O)NCCOc2cccc(C)c2C)cc1 ZINC000223968220 563738686 /nfs/dbraw/zinc/73/86/86/563738686.db2.gz SKNDUUGBFLGZDG-UHFFFAOYSA-N 0 0 311.425 3.604 40 0 DHABRN C[C@H]1CCCN(c2ccc(NC(=S)NC3CCCC3)cn2)C1 ZINC000224034943 563738708 /nfs/dbraw/zinc/73/87/08/563738708.db2.gz ZBVLKJSUSKKBEF-ZDUSSCGKSA-N 0 0 318.490 3.547 40 0 DHABRN COc1cccc2cc(C(=O)NC[C@H](C)c3ccccc3)oc21 ZINC000224096903 563739175 /nfs/dbraw/zinc/73/91/75/563739175.db2.gz IQWQOMYBCUQJAZ-ZDUSSCGKSA-N 0 0 309.365 3.975 40 0 DHABRN O=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000224065483 563739304 /nfs/dbraw/zinc/73/93/04/563739304.db2.gz KXCXDKUZLXREIR-UHFFFAOYSA-N 0 0 302.349 3.933 40 0 DHABRN 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182094496 /nfs/dbraw/zinc/09/44/96/182094496.db2.gz QKLOYVURSKZQOG-MRXNPFEDSA-N 0 0 317.360 3.724 40 0 DHABRN S=C(NCCSCc1ccccc1)Nc1ccccc1 ZINC000018162772 182095871 /nfs/dbraw/zinc/09/58/71/182095871.db2.gz YIPKFOGJCXEINM-UHFFFAOYSA-N 0 0 302.468 3.906 40 0 DHABRN Cc1ccc(NC(=O)c2ccc(N)c(C)c2)c(Br)c1 ZINC000019265299 182111905 /nfs/dbraw/zinc/11/19/05/182111905.db2.gz JSFOBMCUHIDNKR-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN O=C(N[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)c1cccnc1 ZINC000019373851 182120784 /nfs/dbraw/zinc/12/07/84/182120784.db2.gz VAILTAFIIXZDQZ-XWSJACJDSA-N 0 0 306.409 3.784 40 0 DHABRN O=C(N[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)c1ccncc1 ZINC000019373855 182121090 /nfs/dbraw/zinc/12/10/90/182121090.db2.gz JAQORNMJQZBIJX-XWSJACJDSA-N 0 0 306.409 3.784 40 0 DHABRN Cc1nc2nc(NC(=O)c3ccc(F)cc3)ccc2c(C)c1C ZINC000019581615 182131155 /nfs/dbraw/zinc/13/11/55/182131155.db2.gz XGVGGFKVJWHBGY-UHFFFAOYSA-N 0 0 309.344 3.946 40 0 DHABRN C[C@H](NC(=O)CCc1ccncc1)c1nc2ccccc2s1 ZINC000019459849 182124402 /nfs/dbraw/zinc/12/44/02/182124402.db2.gz RFQVLOITXLWOEG-LBPRGKRZSA-N 0 0 311.410 3.501 40 0 DHABRN Cc1nc2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ccc2n1C ZINC000019656374 182134179 /nfs/dbraw/zinc/13/41/79/182134179.db2.gz NFWKOTJVDVPHLH-QGZVFWFLSA-N 0 0 319.408 3.511 40 0 DHABRN COc1cccc2cc(C(=O)NCCSC(C)(C)C)oc21 ZINC000019887858 182160761 /nfs/dbraw/zinc/16/07/61/182160761.db2.gz WQVNMKVRTWULLO-UHFFFAOYSA-N 0 0 307.415 3.703 40 0 DHABRN Cc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(C)n1 ZINC000019937132 182166890 /nfs/dbraw/zinc/16/68/90/182166890.db2.gz DPBIXJGNDQKRJO-UHFFFAOYSA-N 0 0 317.392 3.613 40 0 DHABRN CSc1ccc([C@H](C)NC(=O)COc2ccccc2)cc1 ZINC000020025441 182180313 /nfs/dbraw/zinc/18/03/13/182180313.db2.gz BMNCOOGGYAWVGL-ZDUSSCGKSA-N 0 0 301.411 3.665 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c1C ZINC000020045301 182182886 /nfs/dbraw/zinc/18/28/86/182182886.db2.gz ZEAKTUADEHLZSN-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN COc1ccc([C@H](C)NC(=O)CSc2ccc(C)cc2)cc1 ZINC000020044694 182183228 /nfs/dbraw/zinc/18/32/28/182183228.db2.gz BXAOOSRZMJAWPU-AWEZNQCLSA-N 0 0 315.438 3.973 40 0 DHABRN CCCOc1ccc(C(=O)NCc2cccc(OCC)c2)cc1 ZINC000020046488 182183531 /nfs/dbraw/zinc/18/35/31/182183531.db2.gz RXXKZLBEDSXHIY-UHFFFAOYSA-N 0 0 313.397 3.804 40 0 DHABRN Cc1cccc(CS(=O)(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000020047196 182183656 /nfs/dbraw/zinc/18/36/56/182183656.db2.gz QMOUNZCFNXUWBU-UHFFFAOYSA-N 0 0 323.845 3.610 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1C ZINC000020107324 182187929 /nfs/dbraw/zinc/18/79/29/182187929.db2.gz FETNKLNTVQPBAE-INIZCTEOSA-N 0 0 309.409 3.656 40 0 DHABRN COc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 ZINC000020141390 182191416 /nfs/dbraw/zinc/19/14/16/182191416.db2.gz UYUDBIGQIWFHKW-UHFFFAOYSA-N 0 0 323.348 3.700 40 0 DHABRN COc1ccccc1C(=O)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020141175 182191574 /nfs/dbraw/zinc/19/15/74/182191574.db2.gz ZALLFNXUSBHEBM-UHFFFAOYSA-N 0 0 323.348 3.700 40 0 DHABRN NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000020154548 182193035 /nfs/dbraw/zinc/19/30/35/182193035.db2.gz HPAHQLIYHUKEPS-UHFFFAOYSA-N 0 0 303.774 3.804 40 0 DHABRN O=Cc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000020393557 182214306 /nfs/dbraw/zinc/21/43/06/182214306.db2.gz FNVGOEXEPMVWIV-UHFFFAOYSA-N 0 0 324.163 3.823 40 0 DHABRN Clc1ccc(Nc2n[nH]c(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000020411726 182215178 /nfs/dbraw/zinc/21/51/78/182215178.db2.gz RFAXEQKTKKUQQF-UHFFFAOYSA-N 0 0 314.732 3.597 40 0 DHABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1 ZINC000020481865 182222727 /nfs/dbraw/zinc/22/27/27/182222727.db2.gz KKGMPMDWHONGBB-OAHLLOKOSA-N 0 0 303.789 3.814 40 0 DHABRN Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000020456544 182219296 /nfs/dbraw/zinc/21/92/96/182219296.db2.gz CYSQIKOQOBQLKT-DLBZAZTESA-N 0 0 311.425 3.900 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2cccs2)cc1Cl ZINC000020455729 182219312 /nfs/dbraw/zinc/21/93/12/182219312.db2.gz SHRDQOOWJUXDKY-UHFFFAOYSA-N 0 0 309.774 3.831 40 0 DHABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccnc1 ZINC000020458253 182220123 /nfs/dbraw/zinc/22/01/23/182220123.db2.gz OFRRXRCZCMPPNN-IBGZPJMESA-N 0 0 320.392 3.709 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)NCc2cccc(C)c2)cc1 ZINC000020458606 182220294 /nfs/dbraw/zinc/22/02/94/182220294.db2.gz DZNVKUDGDFLENY-AWEZNQCLSA-N 0 0 315.438 3.801 40 0 DHABRN C[C@H]1CCc2onc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1 ZINC000020572116 182234022 /nfs/dbraw/zinc/23/40/22/182234022.db2.gz YJWRVNUFPFYGHM-QMMMGPOBSA-N 0 0 308.740 3.844 40 0 DHABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCSC(C)(C)C ZINC000020490236 182223917 /nfs/dbraw/zinc/22/39/17/182223917.db2.gz VIVALFDERSHTCM-HNNXBMFYSA-N 0 0 309.475 3.800 40 0 DHABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000020494127 182224247 /nfs/dbraw/zinc/22/42/47/182224247.db2.gz JWINSIOABDGTJA-OAHLLOKOSA-N 0 0 315.388 3.835 40 0 DHABRN CC(C)CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020492413 182224360 /nfs/dbraw/zinc/22/43/60/182224360.db2.gz RKAKYQGLIUIRJS-UHFFFAOYSA-N 0 0 308.425 3.635 40 0 DHABRN COc1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)cc1Cl ZINC000020572117 182234350 /nfs/dbraw/zinc/23/43/50/182234350.db2.gz YMRTUDQERNKCFR-SECBINFHSA-N 0 0 320.776 3.714 40 0 DHABRN CCC(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020610531 182238557 /nfs/dbraw/zinc/23/85/57/182238557.db2.gz GELWJPZAVPOKOI-UHFFFAOYSA-N 0 0 308.385 3.892 40 0 DHABRN COc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1Br ZINC000022124674 182309191 /nfs/dbraw/zinc/30/91/91/182309191.db2.gz OIKJBZNLKPJRKE-UHFFFAOYSA-N 0 0 318.174 3.583 40 0 DHABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)NC1CCCC1 ZINC000022237620 182314506 /nfs/dbraw/zinc/31/45/06/182314506.db2.gz SNUHSGIROANKBJ-UHFFFAOYSA-N 0 0 315.442 3.892 40 0 DHABRN COc1nc2nccc(-c3ccc4ccccc4c3)c2c(=O)[nH]1 ZINC000022606903 182327893 /nfs/dbraw/zinc/32/78/93/182327893.db2.gz HYLJMAIQWBKYLF-UHFFFAOYSA-N 0 0 303.321 3.559 40 0 DHABRN Cc1occc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 ZINC000028303538 182519995 /nfs/dbraw/zinc/51/99/95/182519995.db2.gz HZIBOBIPNNOWDS-UHFFFAOYSA-N 0 0 301.733 3.679 40 0 DHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1 ZINC000030754892 182597350 /nfs/dbraw/zinc/59/73/50/182597350.db2.gz FZBFTGNZUOOOBJ-OAHLLOKOSA-N 0 0 324.424 3.705 40 0 DHABRN Cc1ccc(CC(=O)NCCSCc2cccc(C)c2)cc1 ZINC000030851775 182599726 /nfs/dbraw/zinc/59/97/26/182599726.db2.gz HRBQPLYSEMXPAX-UHFFFAOYSA-N 0 0 313.466 3.896 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000030863530 182600418 /nfs/dbraw/zinc/60/04/18/182600418.db2.gz PWBUVHJXVPPRCJ-INIZCTEOSA-N 0 0 323.845 3.911 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)N2CCCC(C)(C)C2)cc1 ZINC000030872455 182600978 /nfs/dbraw/zinc/60/09/78/182600978.db2.gz TYLWOTQEHHBICU-CYBMUJFWSA-N 0 0 307.459 3.824 40 0 DHABRN O=C1[C@H]2[C@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000100548589 193801517 /nfs/dbraw/zinc/80/15/17/193801517.db2.gz IXKILPKLNITMJR-XSLAGTTESA-N 0 0 307.393 3.703 40 0 DHABRN CCc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)cc1 ZINC000101275746 193810045 /nfs/dbraw/zinc/81/00/45/193810045.db2.gz IDSMOZGKNDYSOV-GOSISDBHSA-N 0 0 322.408 3.610 40 0 DHABRN CCCCCOc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000101530447 193817089 /nfs/dbraw/zinc/81/70/89/193817089.db2.gz LWPLWZAYWWMXFB-CALCHBBNSA-N 0 0 313.397 3.711 40 0 DHABRN CC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1ccccc1 ZINC000038753790 183008687 /nfs/dbraw/zinc/00/86/87/183008687.db2.gz BDQUPWRNFZQQTO-QGZVFWFLSA-N 0 0 303.427 3.566 40 0 DHABRN COc1cccc(Nc2nc(Cl)ncc2Br)c1 ZINC000039957246 183024884 /nfs/dbraw/zinc/02/48/84/183024884.db2.gz CMIFKQJCEWCNAD-UHFFFAOYSA-N 0 0 314.570 3.645 40 0 DHABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl ZINC000040114255 183037328 /nfs/dbraw/zinc/03/73/28/183037328.db2.gz IZYUAQODKVCJMI-UHFFFAOYSA-N 0 0 318.760 3.559 40 0 DHABRN Nc1c(Cl)c(F)c(Br)cc1Br ZINC000040572014 183104557 /nfs/dbraw/zinc/10/45/57/183104557.db2.gz FKBRZUUUTZVHRK-UHFFFAOYSA-N 0 0 303.356 3.586 40 0 DHABRN CCc1ccc(NC(=O)c2cccnc2Br)cc1 ZINC000041107482 183166007 /nfs/dbraw/zinc/16/60/07/183166007.db2.gz XVFCMUQETXURSH-UHFFFAOYSA-N 0 0 305.175 3.659 40 0 DHABRN CN(C)C(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000041127128 183169083 /nfs/dbraw/zinc/16/90/83/183169083.db2.gz RNWUPZXAIFSSEH-UHFFFAOYSA-N 0 0 314.772 3.779 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000044848777 183443086 /nfs/dbraw/zinc/44/30/86/183443086.db2.gz LOYOFANNNWETAC-ACJLOTCBSA-N 0 0 313.372 3.961 40 0 DHABRN CC(C)N1CCCc2sc(C(=O)N(C)c3ccccc3)nc21 ZINC000104760784 194035901 /nfs/dbraw/zinc/03/59/01/194035901.db2.gz IMAFZNUFOKMTSO-UHFFFAOYSA-N 0 0 315.442 3.581 40 0 DHABRN COc1cc2nc(-c3ccncc3)oc2c(Br)c1 ZINC000045920258 183537082 /nfs/dbraw/zinc/53/70/82/183537082.db2.gz QKGILMNRFUXZAM-UHFFFAOYSA-N 0 0 305.131 3.661 40 0 DHABRN CSc1ccccc1C(=O)NCCOc1cc(C)cc(C)c1 ZINC000055526417 183989763 /nfs/dbraw/zinc/98/97/63/183989763.db2.gz KFPXMLAIGKNQLQ-UHFFFAOYSA-N 0 0 315.438 3.834 40 0 DHABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(N)c1 ZINC000057340189 184033824 /nfs/dbraw/zinc/03/38/24/184033824.db2.gz WPOKUXHXRHGDFX-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN Cc1ccc([C@H](C)NC(=O)COc2ccc(F)cc2)c(C)c1 ZINC000059351592 184137468 /nfs/dbraw/zinc/13/74/68/184137468.db2.gz ZCFBLUVXCQHFNK-AWEZNQCLSA-N 0 0 301.361 3.699 40 0 DHABRN COc1ccc(Nc2n[nH]c(-c3cccc(Cl)c3)n2)cc1 ZINC000059843804 184141385 /nfs/dbraw/zinc/14/13/85/184141385.db2.gz RHYOJXRXHHITKZ-UHFFFAOYSA-N 0 0 300.749 3.877 40 0 DHABRN O=C(Cc1ccc(F)cc1)NCCSCc1ccccc1F ZINC000060906322 184157848 /nfs/dbraw/zinc/15/78/48/184157848.db2.gz CUPBPHNTMVSZTB-UHFFFAOYSA-N 0 0 321.392 3.557 40 0 DHABRN CCOC(=O)c1ccc(OCc2ccccc2F)c(OCC)c1 ZINC000062170285 184209747 /nfs/dbraw/zinc/20/97/47/184209747.db2.gz YMMMAFIOZYAZLT-UHFFFAOYSA-N 0 0 318.344 3.980 40 0 DHABRN CCOc1cc(C(=O)OC)ccc1OCc1ccccc1C ZINC000062170261 184209867 /nfs/dbraw/zinc/20/98/67/184209867.db2.gz RODACJAOXIVUFZ-UHFFFAOYSA-N 0 0 300.354 3.759 40 0 DHABRN CCCCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1 ZINC000066141398 184392334 /nfs/dbraw/zinc/39/23/34/184392334.db2.gz PEZUGBNQEWIUJJ-UHFFFAOYSA-N 0 0 314.385 3.709 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(C)c1 ZINC000113959754 194623893 /nfs/dbraw/zinc/62/38/93/194623893.db2.gz HHXFTBAGWMZRRF-INIZCTEOSA-N 0 0 301.361 3.608 40 0 DHABRN C[C@@H]1Cc2ccccc2N1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000120731965 195226259 /nfs/dbraw/zinc/22/62/59/195226259.db2.gz COASDXAGVKBUOO-OAHLLOKOSA-N 0 0 317.392 3.523 40 0 DHABRN Cc1ccc(NCn2c3cc(Cl)ccc3oc2=O)c(C)c1 ZINC000059474381 256539714 /nfs/dbraw/zinc/53/97/14/256539714.db2.gz KNIKBYLOHMHKIW-UHFFFAOYSA-N 0 0 302.761 3.934 40 0 DHABRN COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1F ZINC000192671324 256591868 /nfs/dbraw/zinc/59/18/68/256591868.db2.gz CGNXTPGLEINERQ-UHFFFAOYSA-N 0 0 323.389 3.560 40 0 DHABRN Cc1cc(C(=O)CCCCNC(=O)OC(C)(C)C)c[nH]c1=S ZINC000072218300 257124311 /nfs/dbraw/zinc/12/43/11/257124311.db2.gz YNUXKQHRLFCCFR-UHFFFAOYSA-N 0 0 324.446 3.556 40 0 DHABRN CC(C)Oc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072211966 257127223 /nfs/dbraw/zinc/12/72/23/257127223.db2.gz FGKXWMHYDFGLQA-KRWDZBQOSA-N 0 0 310.397 3.846 40 0 DHABRN CCOc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072211867 257127230 /nfs/dbraw/zinc/12/72/30/257127230.db2.gz QSSHSWTUFKMDBW-AWEZNQCLSA-N 0 0 306.406 3.942 40 0 DHABRN COc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072211661 257127257 /nfs/dbraw/zinc/12/72/57/257127257.db2.gz YVZMTBVFIYBOCC-MRXNPFEDSA-N 0 0 312.369 3.564 40 0 DHABRN O[C@H](Cn1cnc2ccccc21)c1ccc(Br)cc1 ZINC000062702426 257129039 /nfs/dbraw/zinc/12/90/39/257129039.db2.gz NNDIRWULOGEOCL-OAHLLOKOSA-N 0 0 317.186 3.532 40 0 DHABRN C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000170387672 257216906 /nfs/dbraw/zinc/21/69/06/257216906.db2.gz FFINUKKXZOELDM-XJKSGUPXSA-N 0 0 316.445 3.618 40 0 DHABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)c1 ZINC000059227347 257217352 /nfs/dbraw/zinc/21/73/52/257217352.db2.gz KNRHCEFEIBVOLH-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1cccc(C(=O)NCCSCc2ccccc2F)c1 ZINC000010280455 257218169 /nfs/dbraw/zinc/21/81/69/257218169.db2.gz WNUNCQREARRKAR-UHFFFAOYSA-N 0 0 303.402 3.797 40 0 DHABRN COc1cccc(NC(=O)CSCc2ccccc2C)c1 ZINC000003601193 257219158 /nfs/dbraw/zinc/21/91/58/257219158.db2.gz QKRIWUBGWDSFFE-UHFFFAOYSA-N 0 0 301.411 3.876 40 0 DHABRN CCCN1C(=O)S/C(=C\c2cc(C)n(C3CC3)c2C)C1=O ZINC000409149005 257221987 /nfs/dbraw/zinc/22/19/87/257221987.db2.gz VRWBTDVKLYCHJK-ZROIWOOFSA-N 0 0 304.415 3.886 40 0 DHABRN COc1cc(Cl)c(/C=C2\C(=O)Nc3ccccc32)cc1OC ZINC000409119205 257222448 /nfs/dbraw/zinc/22/24/48/257222448.db2.gz RNGCHFPGUXQRNC-GHXNOFRVSA-N 0 0 315.756 3.850 40 0 DHABRN Cc1ccc(NC(=S)Nc2ccc3snnc3c2)cc1 ZINC000409000267 257224598 /nfs/dbraw/zinc/22/45/98/257224598.db2.gz YCOCFQOFFQEVLF-UHFFFAOYSA-N 0 0 300.412 3.809 40 0 DHABRN Cc1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc1 ZINC000408815151 257226933 /nfs/dbraw/zinc/22/69/33/257226933.db2.gz POEBGYFIZILMGR-UHFFFAOYSA-N 0 0 313.377 3.897 40 0 DHABRN CCN(CC)c1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1 ZINC000408736997 257227038 /nfs/dbraw/zinc/22/70/38/257227038.db2.gz FYZBEKGZIKZGOU-JXAWBTAJSA-N 0 0 320.392 3.877 40 0 DHABRN CCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(C)ccc21 ZINC000408712921 257227659 /nfs/dbraw/zinc/22/76/59/257227659.db2.gz BJJBVZSXUHGEKA-UHFFFAOYSA-N 0 0 324.355 3.721 40 0 DHABRN Cc1ccc(C)c(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1 ZINC000408714681 257227754 /nfs/dbraw/zinc/22/77/54/257227754.db2.gz VBAKEQKSCMWYLF-UHFFFAOYSA-N 0 0 321.380 3.626 40 0 DHABRN O=C(Sc1nnc(COc2ccccc2)o1)c1ccccc1 ZINC000408620436 257228987 /nfs/dbraw/zinc/22/89/87/257228987.db2.gz IVGXHSXYLUEAAD-UHFFFAOYSA-N 0 0 312.350 3.581 40 0 DHABRN COc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1OC ZINC000408578532 257229554 /nfs/dbraw/zinc/22/95/54/257229554.db2.gz YLYFGGIATOBDQF-UHFFFAOYSA-N 0 0 321.829 3.823 40 0 DHABRN O=C(c1ccc(O)cc1)c1cccc(C(=O)c2ccc(O)cc2)c1 ZINC000001577614 257231304 /nfs/dbraw/zinc/23/13/04/257231304.db2.gz HVYBCWHAJRYTCH-UHFFFAOYSA-N 0 0 318.328 3.560 40 0 DHABRN C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CC/C(=C/CO)CO ZINC000035455470 257215540 /nfs/dbraw/zinc/21/55/40/257215540.db2.gz NNDLUXBYTPAACV-JDPHGFFSSA-N 0 0 324.505 3.671 40 0 biogenic,in-vitro DHABRN Cc1nn(C(=O)c2ccccc2Cl)c2nc3ccccc3nc12 ZINC000016266388 262512720 /nfs/dbraw/zinc/51/27/20/262512720.db2.gz GXXBAWSSUKLQTI-UHFFFAOYSA-N 0 0 322.755 3.630 40 0 DHABRN CC(C)C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000014257858 333151044 /nfs/dbraw/zinc/15/10/44/333151044.db2.gz GALBYVAOKZQAHA-ZDUSSCGKSA-N 0 0 319.474 3.534 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1ccccc1 ZINC000216495513 333388519 /nfs/dbraw/zinc/38/85/19/333388519.db2.gz IMIIEBADMUKXRV-GOSISDBHSA-N 0 0 313.397 3.511 40 0 DHABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 ZINC000260784183 333611330 /nfs/dbraw/zinc/61/13/30/333611330.db2.gz VHXRIUUWGGOJDX-XOKHGSTOSA-N 0 0 309.438 3.979 40 0 DHABRN O[C@@H](c1ccccc1)C(F)(F)n1ccnc1-c1ccccc1 ZINC000043879536 340521824 /nfs/dbraw/zinc/52/18/24/340521824.db2.gz PXVHTXQGORVXCP-HNNXBMFYSA-N 0 0 300.308 3.833 40 0 DHABRN Cc1ccc(CN2CCn3c(-c4ccsc4)cnc3C2)s1 ZINC000306137285 533956109 /nfs/dbraw/zinc/95/61/09/533956109.db2.gz QRUAUPSWWCXVJQ-UHFFFAOYSA-N 0 0 315.467 3.997 40 0 DHABRN CCOP(=O)(OCC)C(F)(F)[C@H](O)/C=C/c1ccccc1 ZINC000306145372 529086177 /nfs/dbraw/zinc/08/61/77/529086177.db2.gz CRZLQIVTKXZUSS-OCHBPSSRSA-N 0 0 320.272 3.920 40 0 DHABRN CCCCN1C(=O)S[C@H](Cc2ccc(SC)cc2)C1=O ZINC000006647745 563594495 /nfs/dbraw/zinc/59/44/95/563594495.db2.gz OMHVBPLSYRWPGG-CYBMUJFWSA-N 0 0 309.456 3.815 40 0 DHABRN Cc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1Cl ZINC000224116177 563738865 /nfs/dbraw/zinc/73/88/65/563738865.db2.gz OPNNVPJOBUYPQG-UHFFFAOYSA-N 0 0 307.752 3.596 40 0 DHABRN CCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 ZINC000225794455 563763652 /nfs/dbraw/zinc/76/36/52/563763652.db2.gz VOJGMJCZAYPNHI-CQSZACIVSA-N 0 0 319.323 3.858 40 0 DHABRN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014219022 563398552 /nfs/dbraw/zinc/39/85/52/563398552.db2.gz HJYIDNRYIMJNQP-CQSZACIVSA-N 0 0 303.427 3.597 40 0 DHABRN CCOc1ccc(NC=C2SC(=O)N(CC(C)C)C2=O)cc1 ZINC000036636224 563456644 /nfs/dbraw/zinc/45/66/44/563456644.db2.gz PPYOYWSFQABCEB-ZROIWOOFSA-N 0 0 320.414 3.690 40 0 DHABRN Clc1cc(Br)cc(Cl)c1N1CCOCC1 ZINC000096511759 563486137 /nfs/dbraw/zinc/48/61/37/563486137.db2.gz OEPIPURKSSCBCM-UHFFFAOYSA-N 0 0 311.006 3.593 40 0 DHABRN COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 ZINC000072064036 563502194 /nfs/dbraw/zinc/50/21/94/563502194.db2.gz ZONWFFDIDNFTGU-UHFFFAOYSA-N 0 0 320.186 3.639 40 0 DHABRN O=S(=O)(c1ccc(NC2CCCCC2)cc1)N1CCCCC1 ZINC000000151752 563225170 /nfs/dbraw/zinc/22/51/70/563225170.db2.gz XYTNVLFTULNSQS-UHFFFAOYSA-N 0 0 322.474 3.606 40 0 DHABRN O=C1N[C@@]2(C=Cc3c(ccc4ccccc43)O2)Oc2ccccc21 ZINC000000291357 563236651 /nfs/dbraw/zinc/23/66/51/563236651.db2.gz XGNIWAINDZATCD-FQEVSTJZSA-N 0 0 315.328 3.722 40 0 DHABRN CC(=O)Nc1ccccc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000000300356 563237864 /nfs/dbraw/zinc/23/78/64/563237864.db2.gz OZYKECDIWRBBAF-AUUYWEPGSA-N 0 0 314.429 3.686 40 0 DHABRN CCSc1nnc2c3c4c(sc3nc(C)n12)C[C@@H](C)CC4 ZINC000000413748 563252320 /nfs/dbraw/zinc/25/23/20/563252320.db2.gz NQBUPOZKGGAJEX-QMMMGPOBSA-N 0 0 318.471 3.884 40 0 DHABRN Cc1cc(C)c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000000565450 563266545 /nfs/dbraw/zinc/26/65/45/563266545.db2.gz ORLXTGRTPBABNN-GZTJUZNOSA-N 0 0 306.365 3.709 40 0 DHABRN CCCCn1c(OC(=S)N(CC)CC)cc(C)nc1=S ZINC000001572780 563285708 /nfs/dbraw/zinc/28/57/08/563285708.db2.gz YTWLPBJPCKTGQH-UHFFFAOYSA-N 0 0 313.492 3.727 40 0 DHABRN CCOc1cc2c(cc1[C@H](C)c1ccccc1OC)OCO2 ZINC000001583603 563286446 /nfs/dbraw/zinc/28/64/46/563286446.db2.gz OKRDYSODJAKNBJ-GFCCVEGCSA-N 0 0 300.354 3.974 40 0 DHABRN CCOC(CN(C)C(=O)Nc1cccc2ccccc21)OCC ZINC000001636966 563288754 /nfs/dbraw/zinc/28/87/54/563288754.db2.gz MURPMTLDBRULFZ-UHFFFAOYSA-N 0 0 316.401 3.703 40 0 DHABRN COC(=O)c1ccccc1C[C@H]1Cc2ccc3c(c2C1)CCC3 ZINC000001646104 563289063 /nfs/dbraw/zinc/28/90/63/563289063.db2.gz KKVDJLDHHJXSLH-AWEZNQCLSA-N 0 0 306.405 3.919 40 0 DHABRN CCOP(=O)(OCC)[C@H]1[C@@H](C)N1C(=O)Nc1ccccc1 ZINC000001655553 563289195 /nfs/dbraw/zinc/28/91/95/563289195.db2.gz KDAFSJFRCHBLIE-QIAUWCJISA-N 0 0 312.306 3.515 40 0 DHABRN Cc1ccc(C[C@@](C)(O)C[C@](C)(O)Cc2ccc(C)cc2)cc1 ZINC000001723844 563293868 /nfs/dbraw/zinc/29/38/68/563293868.db2.gz FLVGBGPUWNPAGH-NHCUHLMSSA-N 0 0 312.453 3.981 40 0 DHABRN Cc1ccc(N2CCN(C(=S)Cc3ccccc3)CC2)cc1 ZINC000001730972 563293876 /nfs/dbraw/zinc/29/38/76/563293876.db2.gz ZLWGEDFUJWAKBM-UHFFFAOYSA-N 0 0 310.466 3.687 40 0 DHABRN S=C(c1cccs1)N1CCN(c2ccccc2Cl)CC1 ZINC000001730956 563293905 /nfs/dbraw/zinc/29/39/05/563293905.db2.gz OXAYIKMICGHJBB-UHFFFAOYSA-N 0 0 322.886 3.899 40 0 DHABRN C[C@@H]1[C@@H](c2ccccc2)OCCN1C(=S)Nc1ccccc1 ZINC000001740289 563294645 /nfs/dbraw/zinc/29/46/45/563294645.db2.gz KFIHKFWVHAQLAG-PBHICJAKSA-N 0 0 312.438 3.845 40 0 DHABRN O=C1O[C@@H]([C@@H]2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 ZINC000001855497 563296185 /nfs/dbraw/zinc/29/61/85/563296185.db2.gz AKBGLPRWJDGEQF-YLJYHZDGSA-N 0 0 318.372 3.832 40 0 DHABRN Cc1ccc2c(c1)c1nnc(SCc3cccnc3)nc1n2C ZINC000035313020 563331615 /nfs/dbraw/zinc/33/16/15/563331615.db2.gz VOABIYVNBQVVHI-UHFFFAOYSA-N 0 0 321.409 3.512 40 0 DHABRN COC(=O)c1c2cc(Br)ccc2nc2c1CCCC2 ZINC000006179832 563331815 /nfs/dbraw/zinc/33/18/15/563331815.db2.gz KJUDABNICCYECG-UHFFFAOYSA-N 0 0 320.186 3.663 40 0 DHABRN COc1cc2ccccc2cc1C(=O)NCCc1ccc(F)cc1 ZINC000007345145 563337866 /nfs/dbraw/zinc/33/78/66/563337866.db2.gz RAQFUSJGUJHPNB-UHFFFAOYSA-N 0 0 323.367 3.960 40 0 DHABRN CC(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000008367647 563346810 /nfs/dbraw/zinc/34/68/10/563346810.db2.gz KGNIWTTZPIENRF-UHFFFAOYSA-N 0 0 316.364 3.841 40 0 DHABRN COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000008558256 563347633 /nfs/dbraw/zinc/34/76/33/563347633.db2.gz IYUSLYMSICGKQD-LBPRGKRZSA-N 0 0 317.410 3.823 40 0 DHABRN S=c1[nH]c2ccccc2c2nc(-c3cccc(Cl)c3)nn21 ZINC000008559865 563347950 /nfs/dbraw/zinc/34/79/50/563347950.db2.gz DVKMCZJIOOKRNO-UHFFFAOYSA-N 0 0 312.785 3.887 40 0 DHABRN C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c[nH]nc12 ZINC000008615310 563348059 /nfs/dbraw/zinc/34/80/59/563348059.db2.gz WOAIFOIONHSFPQ-WSVRAQSBSA-N 0 0 314.473 3.827 40 0 DHABRN CC(C)CCOCc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000008772997 563349743 /nfs/dbraw/zinc/34/97/43/563349743.db2.gz UYQAOACITRHOIH-NSHDSACASA-N 0 0 320.458 3.672 40 0 aggregator DHABRN CNc1nn(-c2cccc(C)c2)c2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000009936354 563354306 /nfs/dbraw/zinc/35/43/06/563354306.db2.gz PGNAIVIAHLSKGC-ZDUSSCGKSA-N 0 0 321.380 3.728 40 0 DHABRN O=C(Nc1ccc(F)c(Cl)c1)NC1Cc2ccccc2C1 ZINC000009873898 563354887 /nfs/dbraw/zinc/35/48/87/563354887.db2.gz BRDXVTAMJNLWHY-UHFFFAOYSA-N 0 0 304.752 3.768 40 0 DHABRN Cc1ccc(-n2nc3[nH]ccc(-c4ccc(F)cc4)c-3c2=O)cc1 ZINC000010157159 563355326 /nfs/dbraw/zinc/35/53/26/563355326.db2.gz QNAVURZCEALLSR-UHFFFAOYSA-N 0 0 319.339 3.828 40 0 DHABRN Cc1cccc(CCCNC(=O)CCCOc2ccccc2)c1 ZINC000010110826 563355456 /nfs/dbraw/zinc/35/54/56/563355456.db2.gz JYPBVIOLEJRXCT-UHFFFAOYSA-N 0 0 311.425 3.903 40 0 DHABRN COc1cccc(NC(=O)NCCSc2ccc(C)cc2)c1 ZINC000011556996 563358297 /nfs/dbraw/zinc/35/82/97/563358297.db2.gz YRMJUKORHFQRRA-UHFFFAOYSA-N 0 0 316.426 3.917 40 0 DHABRN COc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000010754874 563358308 /nfs/dbraw/zinc/35/83/08/563358308.db2.gz GMXQMOGLTRVMKM-UHFFFAOYSA-N 0 0 303.789 3.598 40 0 DHABRN O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116107 563361680 /nfs/dbraw/zinc/36/16/80/563361680.db2.gz RDGYFVSJPMVCNV-QGZVFWFLSA-N 0 0 323.371 3.608 40 0 DHABRN CCc1ccc2[nH]c(=O)c(CNc3ccc(OC)cc3)cc2c1 ZINC000012144308 563363323 /nfs/dbraw/zinc/36/33/23/563363323.db2.gz YXHALSBLUNMBJP-UHFFFAOYSA-N 0 0 308.381 3.711 40 0 DHABRN Cc1noc(C)c1C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000012155406 563363361 /nfs/dbraw/zinc/36/33/61/563363361.db2.gz BAQIUALBNBQHMC-UHFFFAOYSA-N 0 0 302.349 3.630 40 0 DHABRN Cc1cc([C@H]2CCCCCN2C(=O)c2ccccc2F)no1 ZINC000012185806 563363838 /nfs/dbraw/zinc/36/38/38/563363838.db2.gz LSAPKYBGVZRXHJ-MRXNPFEDSA-N 0 0 302.349 3.880 40 0 DHABRN CCOCCCN1Cc2cc3ccc(C)c(C)c3nc2OC1=O ZINC000012222172 563364789 /nfs/dbraw/zinc/36/47/89/563364789.db2.gz DXJVBPYGDDDLNX-UHFFFAOYSA-N 0 0 314.385 3.593 40 0 DHABRN COc1ccc2nccc(/C=C/CC3CCN(C(C)=O)CC3)c2c1 ZINC000013214511 563379718 /nfs/dbraw/zinc/37/97/18/563379718.db2.gz DYMIQUNBIDKGRA-HWKANZROSA-N 0 0 324.424 3.905 40 0 DHABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000013710321 563386727 /nfs/dbraw/zinc/38/67/27/563386727.db2.gz KSIPBCXCYCHCQT-INIZCTEOSA-N 0 0 309.409 3.656 40 0 DHABRN CCOc1ccccc1NC(=S)NCc1ccc(OC)cc1 ZINC000013814953 563389994 /nfs/dbraw/zinc/38/99/94/563389994.db2.gz TZBSQVMUYZYLGH-UHFFFAOYSA-N 0 0 316.426 3.581 40 0 DHABRN Cc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000013938196 563392544 /nfs/dbraw/zinc/39/25/44/563392544.db2.gz RFIGFAZCINTOJE-MRXNPFEDSA-N 0 0 317.454 3.960 40 0 DHABRN CC[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000013931561 563392587 /nfs/dbraw/zinc/39/25/87/563392587.db2.gz IIXPBYRXQZGRNE-AWEZNQCLSA-N 0 0 314.410 3.853 40 0 DHABRN CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000013939106 563392642 /nfs/dbraw/zinc/39/26/42/563392642.db2.gz RRJBXDDCUVLCCB-UHFFFAOYSA-N 0 0 303.855 3.833 40 0 DHABRN O=[N+]([O-])/C=C/c1cn(CCOc2ccccc2)c2ccccc12 ZINC000015009433 563405210 /nfs/dbraw/zinc/40/52/10/563405210.db2.gz FEARWRRQUPRCMS-ZHACJKMWSA-N 0 0 308.337 3.968 40 0 DHABRN C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000015330631 563409116 /nfs/dbraw/zinc/40/91/16/563409116.db2.gz ZTEXIMVPBYABRW-NSHDSACASA-N 0 0 307.752 3.563 40 0 DHABRN Cc1cc(O[C@H](C)C(=O)NCCc2ccccc2)ccc1Cl ZINC000015360994 563409543 /nfs/dbraw/zinc/40/95/43/563409543.db2.gz CBUUGMSPIDGBHN-CQSZACIVSA-N 0 0 317.816 3.775 40 0 DHABRN CCOC(=O)c1ccc(C(=O)c2cc(Cl)ccc2OC)cc1 ZINC000026896942 563426727 /nfs/dbraw/zinc/42/67/27/563426727.db2.gz GRWUUSDAJLUCFG-UHFFFAOYSA-N 0 0 318.756 3.756 40 0 DHABRN CCc1noc(C)c1C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000677813252 563431610 /nfs/dbraw/zinc/43/16/10/563431610.db2.gz LUXMRZGXSJYSJJ-UHFFFAOYSA-N 0 0 320.339 3.633 40 0 DHABRN 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/nfs/dbraw/zinc/65/28/51/563652851.db2.gz ZRWJAUPTBGDFIF-QGZVFWFLSA-N 0 0 313.397 3.938 40 0 DHABRN CCCOc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1C ZINC000095095417 563653717 /nfs/dbraw/zinc/65/37/17/563653717.db2.gz KBOMOUWNUBDYLU-AWEZNQCLSA-N 0 0 301.390 3.567 40 0 DHABRN O=c1c2c(-c3ccc(F)cc3)cc[nH]c-2nn1-c1ccccc1 ZINC000014163877 563665772 /nfs/dbraw/zinc/66/57/72/563665772.db2.gz SHKVZPVSMXHLGJ-UHFFFAOYSA-N 0 0 305.312 3.520 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NCCSC2CCCCC2)c1 ZINC000014396240 563667743 /nfs/dbraw/zinc/66/77/43/563667743.db2.gz ASTKQSWTUHLRTL-OAHLLOKOSA-N 0 0 321.486 3.944 40 0 DHABRN Cc1cc(O[C@@H](C)C(=O)NCc2ccco2)cc(C)c1Cl ZINC000014398474 563667880 /nfs/dbraw/zinc/66/78/80/563667880.db2.gz DYPVKWVHJUMJLW-LBPRGKRZSA-N 0 0 307.777 3.634 40 0 DHABRN COc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000010542986 563674413 /nfs/dbraw/zinc/67/44/13/563674413.db2.gz LHBNJJMOHPEFBO-HNNXBMFYSA-N 0 0 311.381 3.727 40 0 DHABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)C(F)(F)F ZINC000010120050 563676635 /nfs/dbraw/zinc/67/66/35/563676635.db2.gz FPGUTEZJOGLWFQ-UHFFFAOYSA-N 0 0 320.270 3.919 40 0 DHABRN CCC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@@H]2[C@@H]1c1ccco1 ZINC000004555196 563686085 /nfs/dbraw/zinc/68/60/85/563686085.db2.gz OFOXTMOYXZXIJT-PJSAGSTRSA-N 0 0 315.344 3.994 40 0 DHABRN CCC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@H]2[C@@H]1c1ccco1 ZINC000004555198 563686160 /nfs/dbraw/zinc/68/61/60/563686160.db2.gz OFOXTMOYXZXIJT-RZAIGCCYSA-N 0 0 315.344 3.994 40 0 DHABRN C[C@H](O)CCCn1cc(C(=O)c2ccc(O)cc2)c2ccccc21 ZINC000230858424 563699386 /nfs/dbraw/zinc/69/93/86/563699386.db2.gz JXSIBZRVKUYYOZ-AWEZNQCLSA-N 0 0 323.392 3.739 40 0 in-vitro DHABRN COc1cccc(-c2nnc(-c3cnc(C(C)C)nc3C)o2)c1 ZINC000216611483 563710148 /nfs/dbraw/zinc/71/01/48/563710148.db2.gz OXXNKLWIWBIAKA-UHFFFAOYSA-N 0 0 310.357 3.634 40 0 DHABRN CCOc1cc(Br)c(C)c(Br)c1N ZINC000216876814 563712003 /nfs/dbraw/zinc/71/20/03/563712003.db2.gz FVYDXPDWIRAODX-UHFFFAOYSA-N 0 0 309.001 3.501 40 0 DHABRN CCCOc1ccc(C(=O)NCCSc2ccccc2)cc1 ZINC000218980233 563717864 /nfs/dbraw/zinc/71/78/64/563717864.db2.gz QWGZEMQHWDJMHV-UHFFFAOYSA-N 0 0 315.438 3.998 40 0 DHABRN CCOc1cccc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000055492774 563718448 /nfs/dbraw/zinc/71/84/48/563718448.db2.gz CAELSKLXJVSYJK-UHFFFAOYSA-N 0 0 300.383 3.667 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2)c(C)c1 ZINC000219527709 563719823 /nfs/dbraw/zinc/71/98/23/563719823.db2.gz KBDSKSMAAWLWGU-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN C[C@H](Oc1ccccc1)C(=O)NCCCc1ccccc1Cl ZINC000219484382 563720014 /nfs/dbraw/zinc/72/00/14/563720014.db2.gz AABHWZZKUCRSPC-AWEZNQCLSA-N 0 0 317.816 3.856 40 0 DHABRN O=C(CN(c1ccccc1)C1=NCCCS1)c1cccs1 ZINC000008436132 563722409 /nfs/dbraw/zinc/72/24/09/563722409.db2.gz XAIIBMWEXGEZPJ-UHFFFAOYSA-N 0 0 316.451 3.930 40 0 DHABRN Cc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 ZINC000222556775 563725976 /nfs/dbraw/zinc/72/59/76/563725976.db2.gz XAPLNVBISUDYAE-RRQGHBQHSA-N 0 0 309.438 3.979 40 0 DHABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC[C@H](C)C1 ZINC000222654888 563727165 /nfs/dbraw/zinc/72/71/65/563727165.db2.gz QEZVPWKWXKCDKR-LSDHHAIUSA-N 0 0 301.430 3.591 40 0 DHABRN Cc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000222759914 563727749 /nfs/dbraw/zinc/72/77/49/563727749.db2.gz WNOZGMMZEZHKOO-UHFFFAOYSA-N 0 0 317.816 3.776 40 0 DHABRN Cc1ccccc1OCC(=O)NCc1ccc2ccccc2c1 ZINC000222745917 563727808 /nfs/dbraw/zinc/72/78/08/563727808.db2.gz PVUQAKQTZCLJOC-UHFFFAOYSA-N 0 0 305.377 3.843 40 0 DHABRN CCc1ccc(CC)c(CNC(=O)COc2cccc(C)c2)c1 ZINC000222765792 563727920 /nfs/dbraw/zinc/72/79/20/563727920.db2.gz VBOJTZGXZWQTDA-UHFFFAOYSA-N 0 0 311.425 3.815 40 0 DHABRN Cc1cccc(CCCNC(=O)COc2cccc(Cl)c2)c1 ZINC000222768518 563727942 /nfs/dbraw/zinc/72/79/42/563727942.db2.gz ZRIQULHLVVVYTL-UHFFFAOYSA-N 0 0 317.816 3.776 40 0 DHABRN CC(C)(C)OC(=O)C[C@@H](CC1CCCC1)C(=O)N1CCCCC1 ZINC000033996796 563728733 /nfs/dbraw/zinc/72/87/33/563728733.db2.gz TXSOKKPOIULNCO-MRXNPFEDSA-N 0 0 323.477 3.927 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)NCCSC1CCCC1 ZINC000222944426 563729824 /nfs/dbraw/zinc/72/98/24/563729824.db2.gz BBCMZGMSTYMRSZ-AWEZNQCLSA-N 0 0 321.486 3.808 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)Cc1ccc(Cl)cc1F ZINC000223088375 563730719 /nfs/dbraw/zinc/73/07/19/563730719.db2.gz RMWDDRZQPIXCKO-NSHDSACASA-N 0 0 321.779 3.908 40 0 DHABRN CCC[C@H](C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000223173309 563731057 /nfs/dbraw/zinc/73/10/57/563731057.db2.gz KBVWBWBHXSSKCL-ZDUSSCGKSA-N 0 0 313.463 3.594 40 0 DHABRN Cc1ccc(C)c(C(=O)NCCCN2c3ccccc3C[C@@H]2C)c1 ZINC000223195720 563731076 /nfs/dbraw/zinc/73/10/76/563731076.db2.gz ZEPMSFWCCIBHOD-KRWDZBQOSA-N 0 0 322.452 3.875 40 0 DHABRN COC(=O)[C@H](C(C)C)N1c2c(OC)cccc2[C@@H](C)CC1(C)C ZINC000223213074 563731698 /nfs/dbraw/zinc/73/16/98/563731698.db2.gz ZQQPMXRHTNQWET-BBRMVZONSA-N 0 0 319.445 3.985 40 0 DHABRN CC(C)Oc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1 ZINC000223238882 563732385 /nfs/dbraw/zinc/73/23/85/563732385.db2.gz ZWCOFQABBKZPTQ-UHFFFAOYSA-N 0 0 317.816 3.986 40 0 DHABRN Cc1cccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 ZINC000223244535 563732529 /nfs/dbraw/zinc/73/25/29/563732529.db2.gz RRIHTLRAMPFCMA-OAHLLOKOSA-N 0 0 309.409 3.740 40 0 DHABRN CCc1ccc(OCCNC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000223378811 563733293 /nfs/dbraw/zinc/73/32/93/563733293.db2.gz OVFCOQFHIRSZEE-KPKJPENVSA-N 0 0 313.372 3.597 40 0 DHABRN O=C(NCCOc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000223370025 563733539 /nfs/dbraw/zinc/73/35/39/563733539.db2.gz SDEWDECHBYAUNL-UHFFFAOYSA-N 0 0 310.180 3.802 40 0 DHABRN Cc1ccccc1OCCNC(=O)[C@@H](C)Sc1ccccc1 ZINC000223409684 563733915 /nfs/dbraw/zinc/73/39/15/563733915.db2.gz NAPYICPVXSXQPJ-OAHLLOKOSA-N 0 0 315.438 3.671 40 0 DHABRN Cc1cccc(C(=O)Nc2nnc(SCC(C)C)s2)c1 ZINC000223534093 563734473 /nfs/dbraw/zinc/73/44/73/563734473.db2.gz DRWKWBJZHKJJCT-UHFFFAOYSA-N 0 0 307.444 3.847 40 0 DHABRN CCc1ccc(CC(=O)N[C@H](C)COc2ccccc2C)cc1 ZINC000223558234 563734559 /nfs/dbraw/zinc/73/45/59/563734559.db2.gz NAGAHRHZEIZDRK-MRXNPFEDSA-N 0 0 311.425 3.684 40 0 DHABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 ZINC000223723258 563735814 /nfs/dbraw/zinc/73/58/14/563735814.db2.gz ZKVZGXJQOUTQAH-UHFFFAOYSA-N 0 0 317.454 3.939 40 0 DHABRN COC(=O)c1cccn1-c1ccc(Br)cc1Cl ZINC000223731012 563735853 /nfs/dbraw/zinc/73/58/53/563735853.db2.gz WOMAFUVHJCNZQL-UHFFFAOYSA-N 0 0 314.566 3.680 40 0 DHABRN Cc1cnc(NC(=S)NCc2ccc(F)cc2)c(Cl)c1 ZINC000223946235 563738540 /nfs/dbraw/zinc/73/85/40/563738540.db2.gz WVKBMLZIPKBPFE-UHFFFAOYSA-N 0 0 309.797 3.669 40 0 DHABRN Cc1cccc(OCCNC(=O)c2ccc3c(c2)CCCC3)c1C ZINC000223973733 563738666 /nfs/dbraw/zinc/73/86/66/563738666.db2.gz VLYWIJZERJDDDU-UHFFFAOYSA-N 0 0 323.436 3.991 40 0 DHABRN COc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1 ZINC000224082908 563739026 /nfs/dbraw/zinc/73/90/26/563739026.db2.gz CBRUOECKPLUJNC-UHFFFAOYSA-N 0 0 313.397 3.660 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)c1ccccc1OC(C)C ZINC000224168299 563740006 /nfs/dbraw/zinc/74/00/06/563740006.db2.gz YCWLFKLMGNXBCP-AWEZNQCLSA-N 0 0 313.397 3.973 40 0 DHABRN 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CCn1cccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O ZINC000008091008 563922300 /nfs/dbraw/zinc/92/23/00/563922300.db2.gz QSPLKPKFLUGTFK-CRPPYINASA-N 0 0 305.447 3.597 40 0 DHABRN C[C@]12CC[C@@H]3[C@H](CCC4C(=O)C(=O)CC[C@@]43C)[C@H]1CCC2=O ZINC000035565359 563923195 /nfs/dbraw/zinc/92/31/95/563923195.db2.gz OSVMTWJCGUFAOD-XTBHHOAESA-N 0 0 302.414 3.973 40 0 DHABRN CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Br)s1 ZINC000575599828 563925341 /nfs/dbraw/zinc/92/53/41/563925341.db2.gz WVEFTEZZHQMKFR-YUMQZZPRSA-N 0 0 318.236 3.891 40 0 DHABRN O=Cc1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000685936171 563926851 /nfs/dbraw/zinc/92/68/51/563926851.db2.gz ISZMORBMRFZBLL-UHFFFAOYSA-N 0 0 322.208 3.782 40 0 DHABRN C/C(=C\COc1ccc2ccc(=O)oc2c1)C/C=C/C(C)(C)O ZINC000013374365 563929438 /nfs/dbraw/zinc/92/94/38/563929438.db2.gz ZHQPRJMIAALFHX-ATTWWORZSA-N 0 0 314.381 3.835 40 0 biogenic,in-vitro DHABRN CCNc1nc(Nc2ccc(F)cc2C)cc(-c2ccccn2)n1 ZINC000329026233 563960053 /nfs/dbraw/zinc/96/00/53/563960053.db2.gz 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/nfs/dbraw/zinc/28/60/17/186286017.db2.gz PVQABRPKLDMPTF-UHFFFAOYSA-N 0 0 308.447 3.647 40 0 DHABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2F)cc1 ZINC000225640449 186286032 /nfs/dbraw/zinc/28/60/32/186286032.db2.gz GOMVTHKGSYHBJJ-CYBMUJFWSA-N 0 0 318.417 3.888 40 0 DHABRN CCCOc1c(C)cc(NC(=O)[C@@](C)(OC)C2CC2)cc1C ZINC000225645728 186286606 /nfs/dbraw/zinc/28/66/06/186286606.db2.gz YMOUOSCKRGFGQN-SFHVURJKSA-N 0 0 305.418 3.846 40 0 DHABRN CO[C@@](C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1 ZINC000225645764 186286855 /nfs/dbraw/zinc/28/68/55/186286855.db2.gz JZCFPJKIRMIZQH-GOSISDBHSA-N 0 0 305.418 3.844 40 0 DHABRN COc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C(C)C ZINC000225666374 186287745 /nfs/dbraw/zinc/28/77/45/186287745.db2.gz VANNQCPHAIIJGI-IAGOWNOFSA-N 0 0 319.445 3.503 40 0 DHABRN COc1ccc(-c2ccc(C[C@@H]3CCCN(C(C)=O)C3)cn2)cc1 ZINC000072360763 191132032 /nfs/dbraw/zinc/13/20/32/191132032.db2.gz OUUSEPMKEVSEFH-KRWDZBQOSA-N 0 0 324.424 3.558 40 0 DHABRN CC(=O)N1CCC[C@H]1CCc1ccc(-c2cccc(C)c2C)nn1 ZINC000072365879 191135617 /nfs/dbraw/zinc/13/56/17/191135617.db2.gz ZACTZGHPASMWSA-SFHVURJKSA-N 0 0 323.440 3.704 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1nc(C)cc(Oc2ccccc2)n1 ZINC000072383521 191143510 /nfs/dbraw/zinc/14/35/10/191143510.db2.gz ZGVNMCJVZOHXKA-MRXNPFEDSA-N 0 0 311.385 3.651 40 0 DHABRN Cc1cccc2cc3c(nc12)O[C@@H](C)CN(Cc1ccco1)C3 ZINC000072392473 191147484 /nfs/dbraw/zinc/14/74/84/191147484.db2.gz SESAUOGVLBBHSY-AWEZNQCLSA-N 0 0 308.381 3.919 40 0 DHABRN Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(C)c1 ZINC000000045004 180676277 /nfs/dbraw/zinc/67/62/77/180676277.db2.gz JMVQYBJGDQJION-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000000147252 180708233 /nfs/dbraw/zinc/70/82/33/180708233.db2.gz PKCCFUFVEKSNNG-SOFGYWHQSA-N 0 0 311.381 3.973 40 0 DHABRN CCCn1c(SCC(=O)c2ccc(F)cc2)nnc1C(C)C ZINC000000410487 180778984 /nfs/dbraw/zinc/77/89/84/180778984.db2.gz WQRZEEYSCZGGRD-UHFFFAOYSA-N 0 0 321.421 3.926 40 0 DHABRN O=C(Nc1ccc2c(c1)C(=O)OC2)c1cccc2ccccc21 ZINC000000884365 180836674 /nfs/dbraw/zinc/83/66/74/180836674.db2.gz HSSBZSKLDDGNRL-UHFFFAOYSA-N 0 0 303.317 3.763 40 0 DHABRN CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000001364318 180856796 /nfs/dbraw/zinc/85/67/96/180856796.db2.gz WFTCEDRIOGXYRD-VXGBXAGGSA-N 0 0 319.430 3.550 40 0 DHABRN O=C(C[C@@H]1OC(=O)C(Cl)=C1Cl)c1ccccc1Cl ZINC000001624110 180881096 /nfs/dbraw/zinc/88/10/96/180881096.db2.gz JEUZGICJQYCREJ-VIFPVBQESA-N 0 0 305.544 3.527 40 0 DHABRN COc1ccc(OCCCC(=O)NC2CCCCCC2)cc1 ZINC000001778394 180895932 /nfs/dbraw/zinc/89/59/32/180895932.db2.gz OXOPHOQNCMCZTJ-UHFFFAOYSA-N 0 0 305.418 3.693 40 0 DHABRN O=C1O[C@H]([C@H]2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 ZINC000001855490 180899541 /nfs/dbraw/zinc/89/95/41/180899541.db2.gz AKBGLPRWJDGEQF-PXNSSMCTSA-N 0 0 318.372 3.832 40 0 DHABRN CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@@H]1[C@@H]2C ZINC000002124466 180910542 /nfs/dbraw/zinc/91/05/42/180910542.db2.gz XWHWCKHMKQSYBV-LWASTNQWSA-N 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NDDBWZXBQYWBLC-UHFFFAOYSA-N 0 0 302.418 3.900 40 0 DHABRN C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000016470165 182045939 /nfs/dbraw/zinc/04/59/39/182045939.db2.gz XGRYPXVIHFYUFB-LBPRGKRZSA-N 0 0 323.348 3.695 40 0 DHABRN CC1(C)CC(O)CC(C)(C)N1C(=O)Nc1ccc(Cl)cc1 ZINC000016577742 182049842 /nfs/dbraw/zinc/04/98/42/182049842.db2.gz FQLOXIHFMYTYAE-UHFFFAOYSA-N 0 0 310.825 3.886 40 0 DHABRN Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(C)c(C)c1C ZINC000016780071 182060641 /nfs/dbraw/zinc/06/06/41/182060641.db2.gz OLBITISXENOUQD-ZBEGNZNMSA-N 0 0 309.475 3.777 40 0 DHABRN Cc1c(C(=O)N2CCCCCC2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000016740243 182059533 /nfs/dbraw/zinc/05/95/33/182059533.db2.gz HSWUQIYGJIOMMQ-CYBMUJFWSA-N 0 0 305.418 3.610 40 0 DHABRN CCCCC[C@H]1c2c(=O)[nH]c(C)cc2O[C@H](O)[C@@H]1CCCC ZINC000017105942 182075010 /nfs/dbraw/zinc/07/50/10/182075010.db2.gz XYEMAWINWUXDNL-LBTNJELSSA-N 0 0 307.434 3.864 40 0 DHABRN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 ZINC000017916568 182087685 /nfs/dbraw/zinc/08/76/85/182087685.db2.gz PHVJODAZHOSZRV-ZDUSSCGKSA-N 0 0 309.344 3.502 40 0 DHABRN C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 ZINC000017916564 182087738 /nfs/dbraw/zinc/08/77/38/182087738.db2.gz OJYSVBCSDPYYLW-AWEZNQCLSA-N 0 0 323.371 3.562 40 0 DHABRN Cc1cccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1C ZINC000017915988 182087475 /nfs/dbraw/zinc/08/74/75/182087475.db2.gz YRXANVLTFBPTPO-CQSZACIVSA-N 0 0 301.361 3.699 40 0 DHABRN COc1cccc(CNC(=S)Nc2ccc(C)c(C)c2)c1 ZINC000018141440 182094425 /nfs/dbraw/zinc/09/44/25/182094425.db2.gz CVKIKVZXRKPYFP-UHFFFAOYSA-N 0 0 300.427 3.799 40 0 DHABRN Cc1ccc(OCCNC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000018074940 182092118 /nfs/dbraw/zinc/09/21/18/182092118.db2.gz GHUVGNIAAXAHNU-UHFFFAOYSA-N 0 0 313.397 3.591 40 0 DHABRN O=C(c1cccc(F)c1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019293530 182113502 /nfs/dbraw/zinc/11/35/02/182113502.db2.gz ZRHLOPRSZPZVMR-OAHLLOKOSA-N 0 0 323.371 3.722 40 0 DHABRN COc1ccc(CN2CCCCC[C@@H]2c2cc(C)on2)cc1O ZINC000019119392 182105318 /nfs/dbraw/zinc/10/53/18/182105318.db2.gz FLSBELFFSWFAMO-MRXNPFEDSA-N 0 0 316.401 3.815 40 0 DHABRN COc1cccc(C(=O)Nc2cccc(SC)c2)c1OC ZINC000019170361 182106844 /nfs/dbraw/zinc/10/68/44/182106844.db2.gz NNTXLGDSPTUGQV-UHFFFAOYSA-N 0 0 303.383 3.678 40 0 DHABRN O=C(N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccccn1 ZINC000019373843 182120499 /nfs/dbraw/zinc/12/04/99/182120499.db2.gz ALPSQXVJYVYTNK-NBMJBFSESA-N 0 0 306.409 3.784 40 0 DHABRN CC(C)(C)c1ccc2c(c1)O[C@](N)(C(Cl)(Cl)Cl)O2 ZINC000019314145 182114103 /nfs/dbraw/zinc/11/41/03/182114103.db2.gz MRCKVZPVLJSTCC-LBPRGKRZSA-N 0 0 310.608 3.738 40 0 DHABRN CCn1ncc(CN2CCCCC[C@@H]2c2cc(C)on2)c1C ZINC000019523956 182128365 /nfs/dbraw/zinc/12/83/65/182128365.db2.gz OEZWWMATZITGOW-QGZVFWFLSA-N 0 0 302.422 3.625 40 0 DHABRN Cc1nc2ccccc2n1Cc1cc(NC2(C)CCC2)nc(C)n1 ZINC000019655846 182134500 /nfs/dbraw/zinc/13/45/00/182134500.db2.gz AJWXYCKKCVZZJR-UHFFFAOYSA-N 0 0 321.428 3.846 40 0 DHABRN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000019931446 182165336 /nfs/dbraw/zinc/16/53/36/182165336.db2.gz FUKNLPRRRIHTAR-CQSZACIVSA-N 0 0 313.397 3.972 40 0 DHABRN CCCCCCc1cc(O)c2c(c1)oc(=O)c1c2CCN(C)C1 ZINC000019855587 182156953 /nfs/dbraw/zinc/15/69/53/182156953.db2.gz ZHYWJBGMWFNSCN-UHFFFAOYSA-N 0 0 315.413 3.609 40 0 DHABRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(F)c(F)c1 ZINC000020030307 182181282 /nfs/dbraw/zinc/18/12/82/182181282.db2.gz JOCPSKAUCVCROX-VQHVLOKHSA-N 0 0 319.307 3.634 40 0 DHABRN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N)cc1 ZINC000020030718 182181673 /nfs/dbraw/zinc/18/16/73/182181673.db2.gz QNWNUFRCPPPUKB-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(F)cc1 ZINC000020035475 182181999 /nfs/dbraw/zinc/18/19/99/182181999.db2.gz NKCDNZHLLSFOEU-QGZVFWFLSA-N 0 0 315.388 3.916 40 0 DHABRN Cc1nccn1-c1ccccc1CNC(=O)/C=C/c1ccccc1 ZINC000020039628 182183106 /nfs/dbraw/zinc/18/31/06/182183106.db2.gz MKCJTNJLDXYSKD-VAWYXSNFSA-N 0 0 317.392 3.510 40 0 DHABRN CC[C@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccccc1 ZINC000020045172 182183131 /nfs/dbraw/zinc/18/31/31/182183131.db2.gz CWQYRUDHXITVEJ-KDOFPFPSSA-N 0 0 313.397 3.730 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)CSCc2ccccc2)cc1 ZINC000020040488 182183149 /nfs/dbraw/zinc/18/31/49/182183149.db2.gz NZRQCADFEGYQSP-CQSZACIVSA-N 0 0 315.438 3.806 40 0 DHABRN Cc1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000020055980 182184589 /nfs/dbraw/zinc/18/45/89/182184589.db2.gz RSKKXMTWQYKJOP-UHFFFAOYSA-N 0 0 319.202 3.808 40 0 DHABRN CCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1OC ZINC000020136587 182190679 /nfs/dbraw/zinc/19/06/79/182190679.db2.gz IWCUPTVOBQKDCK-UHFFFAOYSA-N 0 0 303.358 3.576 40 0 DHABRN CCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(OC)c1 ZINC000020136602 182190845 /nfs/dbraw/zinc/19/08/45/182190845.db2.gz MEYOAWSFBJOHCD-UHFFFAOYSA-N 0 0 303.358 3.576 40 0 DHABRN COc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020141187 182191757 /nfs/dbraw/zinc/19/17/57/182191757.db2.gz PENUPPHOQCSTRF-UHFFFAOYSA-N 0 0 323.348 3.700 40 0 DHABRN Nc1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl ZINC000020193950 182195993 /nfs/dbraw/zinc/19/59/93/182195993.db2.gz VMONRAWGHFODQG-UHFFFAOYSA-N 0 0 300.667 3.592 40 0 DHABRN COc1cccc(-c2nc(Nc3ccc(Cl)cc3)n[nH]2)c1 ZINC000020411712 182215183 /nfs/dbraw/zinc/21/51/83/182215183.db2.gz NNWGOXLFWPXZDS-UHFFFAOYSA-N 0 0 300.749 3.877 40 0 DHABRN Cc1ccc(NC(=O)c2cccc(Br)c2)c(N)c1 ZINC000020343281 182209702 /nfs/dbraw/zinc/20/97/02/182209702.db2.gz ANOYGOKHJYMHGK-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccncc1 ZINC000020481491 182222570 /nfs/dbraw/zinc/22/25/70/182222570.db2.gz NKXGAMVUTRGHFI-GOSISDBHSA-N 0 0 320.392 3.709 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1Cl ZINC000020484229 182223082 /nfs/dbraw/zinc/22/30/82/182223082.db2.gz HMPCDZWBPFVBDJ-CYBMUJFWSA-N 0 0 317.816 3.986 40 0 DHABRN COc1ccc([C@H](C)NC(=O)c2ccccc2SC)cc1 ZINC000020491347 182223602 /nfs/dbraw/zinc/22/36/02/182223602.db2.gz ZQQIKQVSVMECPN-LBPRGKRZSA-N 0 0 301.411 3.908 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)NCCSC(C)(C)C ZINC000020452957 182218753 /nfs/dbraw/zinc/21/87/53/182218753.db2.gz RWMICPQIHNEXGW-CYBMUJFWSA-N 0 0 309.475 3.664 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000020455738 182219318 /nfs/dbraw/zinc/21/93/18/182219318.db2.gz ILNQYTKEHSRJNL-JTQLQIEISA-N 0 0 323.751 3.894 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)NC2CCCCC2)cc1OC ZINC000020486843 182223902 /nfs/dbraw/zinc/22/39/02/182223902.db2.gz ZBIMRPWWEVYJIG-GFCCVEGCSA-N 0 0 323.458 3.633 40 0 DHABRN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCc2ccccc2C1 ZINC000020492555 182224279 /nfs/dbraw/zinc/22/42/79/182224279.db2.gz ONPZBKIZCCBVKH-IBGZPJMESA-N 0 0 309.409 3.737 40 0 DHABRN Cc1cc(C)cc(CSCC(=O)NCc2ccc(F)cc2)c1 ZINC000020495477 182224297 /nfs/dbraw/zinc/22/42/97/182224297.db2.gz AAVRTXFYDSXWNH-UHFFFAOYSA-N 0 0 317.429 3.992 40 0 DHABRN Cc1ccc(CS(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000020493935 182224593 /nfs/dbraw/zinc/22/45/93/182224593.db2.gz OYLDANJRUYVIHS-UHFFFAOYSA-N 0 0 323.845 3.610 40 0 DHABRN CSc1cccc(NC(=O)c2noc3c2C[C@@H](C)CC3)c1 ZINC000020572142 182234472 /nfs/dbraw/zinc/23/44/72/182234472.db2.gz GPLSTRSNNOLDKW-JTQLQIEISA-N 0 0 302.399 3.774 40 0 DHABRN CCc1nc(SCc2ccc(NC(=O)CC(C)C)cc2)n[nH]1 ZINC000020611418 182238680 /nfs/dbraw/zinc/23/86/80/182238680.db2.gz RPYYLXSDYWSDFQ-UHFFFAOYSA-N 0 0 318.446 3.644 40 0 DHABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(N)cc2Cl)c1 ZINC000021503379 182275597 /nfs/dbraw/zinc/27/55/97/182275597.db2.gz YWKIUUALNIOLAM-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN COc1cccc(-c2nc(Cl)n(-c3ccc(F)cc3)n2)c1 ZINC000022125425 182310087 /nfs/dbraw/zinc/31/00/87/182310087.db2.gz RKNGPCZMCXFVEA-UHFFFAOYSA-N 0 0 303.724 3.735 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)CCCOc1ccccc1 ZINC000022367404 182319449 /nfs/dbraw/zinc/31/94/49/182319449.db2.gz CGZHAKHUSSMIJD-HNNXBMFYSA-N 0 0 313.397 3.732 40 0 DHABRN Cc1nc(-c2cccnc2)sc1C(=O)NC1CCCCCC1 ZINC000022237472 182314199 /nfs/dbraw/zinc/31/41/99/182314199.db2.gz XXOKNZCLGVWWPT-UHFFFAOYSA-N 0 0 315.442 3.966 40 0 DHABRN CC(C)/N=c1\ccccn1C(=O)CCc1c[nH]c2ccccc12 ZINC000022534218 182325953 /nfs/dbraw/zinc/32/59/53/182325953.db2.gz FZUFNVXGKMAJBB-DYTRJAOYSA-N 0 0 307.397 3.552 40 0 DHABRN Cc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000022509392 182324268 /nfs/dbraw/zinc/32/42/68/182324268.db2.gz DICZFNRXSXWIEW-UHFFFAOYSA-N 0 0 303.789 3.686 40 0 DHABRN CCOc1cccc(CNC(=O)CSCc2ccccc2)c1 ZINC000022523705 182324727 /nfs/dbraw/zinc/32/47/27/182324727.db2.gz OXBGDIUSJIRSRB-UHFFFAOYSA-N 0 0 315.438 3.635 40 0 DHABRN CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(C)cc1 ZINC000022843021 182336908 /nfs/dbraw/zinc/33/69/08/182336908.db2.gz SHFYYVBFKMPRPS-MRXNPFEDSA-N 0 0 321.417 3.872 40 0 DHABRN Cc1cc(C)c(C)c(OCC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000024036416 182373138 /nfs/dbraw/zinc/37/31/38/182373138.db2.gz LADDZVWCORZWTG-MRXNPFEDSA-N 0 0 311.425 3.911 40 0 DHABRN Cc1ccc(OCCNC(=O)CCc2ccccc2F)c(C)c1 ZINC000024388800 182380018 /nfs/dbraw/zinc/38/00/18/182380018.db2.gz RFAIAFQBVCOTFF-UHFFFAOYSA-N 0 0 315.388 3.570 40 0 DHABRN O=C(CCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000024613307 182385572 /nfs/dbraw/zinc/38/55/72/182385572.db2.gz KIHYFWNFJGSCMI-UHFFFAOYSA-N 0 0 317.772 3.683 40 0 DHABRN Cc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000024706062 182388466 /nfs/dbraw/zinc/38/84/66/182388466.db2.gz AXSSAWNYDNVTKG-UHFFFAOYSA-N 0 0 317.816 3.776 40 0 DHABRN C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000025874839 182424429 /nfs/dbraw/zinc/42/44/29/182424429.db2.gz IHBHBANPQCHNKV-CQSZACIVSA-N 0 0 315.438 3.605 40 0 DHABRN O=C(Nc1ccc(-n2cccn2)cc1)Nc1ccc(F)cc1F ZINC000027917697 182498141 /nfs/dbraw/zinc/49/81/41/182498141.db2.gz CZUPPMGOINESMO-UHFFFAOYSA-N 0 0 314.295 3.795 40 0 DHABRN CC(C)Oc1ccc(C(=O)Nc2nc3ccccc3n2C)cc1 ZINC000027924220 182498514 /nfs/dbraw/zinc/49/85/14/182498514.db2.gz DVJDGYTUTIJLAR-UHFFFAOYSA-N 0 0 309.369 3.613 40 0 DHABRN Cc1cccc(CS(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)c1 ZINC000030758508 182597328 /nfs/dbraw/zinc/59/73/28/182597328.db2.gz POELOEUWPBMZJO-INIZCTEOSA-N 0 0 317.454 3.792 40 0 DHABRN COc1ccc2cc(C(=O)Nc3ccc(C)cc3C)c(=O)oc2c1 ZINC000033809462 182722887 /nfs/dbraw/zinc/72/28/87/182722887.db2.gz PEKPCPMLHWFRGF-UHFFFAOYSA-N 0 0 323.348 3.671 40 0 DHABRN Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cccc(Cl)c2)n1 ZINC000036612062 182827858 /nfs/dbraw/zinc/82/78/58/182827858.db2.gz JUKLXIRMCDQFTN-LLVKDONJSA-N 0 0 320.824 3.611 40 0 DHABRN Cc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000036635340 182831520 /nfs/dbraw/zinc/83/15/20/182831520.db2.gz GLKVXUDSLVNHMO-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1ccc(C)c(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 ZINC000038696799 183006516 /nfs/dbraw/zinc/00/65/16/183006516.db2.gz PHFZQJCSYFOYAF-UHFFFAOYSA-N 0 0 322.408 3.991 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000038833196 183011031 /nfs/dbraw/zinc/01/10/31/183011031.db2.gz ZCULXXKZRVOALV-UHFFFAOYSA-N 0 0 305.381 3.801 40 0 DHABRN COc1ccc(-c2nnc(CNc3ccc(Cl)cc3)[nH]2)cc1 ZINC000040174521 183043598 /nfs/dbraw/zinc/04/35/98/183043598.db2.gz GLYDCKPBDYVDKG-UHFFFAOYSA-N 0 0 314.776 3.746 40 0 DHABRN Cc1cccnc1NC(=O)CSc1nc2ccccc2s1 ZINC000040176675 183043973 /nfs/dbraw/zinc/04/39/73/183043973.db2.gz HLDVPIPMJKVAFV-UHFFFAOYSA-N 0 0 315.423 3.731 40 0 DHABRN COc1ccc(OC)c([C@@H](O)c2cccc(Br)c2)c1 ZINC000040244813 183049496 /nfs/dbraw/zinc/04/94/96/183049496.db2.gz ODLHHCLUYDGBHN-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc([C@@H](O)c2ccc(Br)cc2)cc1F ZINC000040262869 183049203 /nfs/dbraw/zinc/04/92/03/183049203.db2.gz KAWTWMIVSWFCAX-AWEZNQCLSA-N 0 0 311.150 3.679 40 0 DHABRN CCc1ccc2oc(-c3ccc4[nH]c(=NN)sc4c3)nc2c1 ZINC000040542397 183098732 /nfs/dbraw/zinc/09/87/32/183098732.db2.gz UJJRDNRESYGFPD-UHFFFAOYSA-N 0 0 310.382 3.953 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 ZINC000041283522 183183378 /nfs/dbraw/zinc/18/33/78/183183378.db2.gz LNZHFGSPOCXOPS-CYBMUJFWSA-N 0 0 307.434 3.794 40 0 DHABRN O=C(Cc1ccc(-c2nc3ccccc3o2)cc1)N1CCCC1 ZINC000041127110 183169099 /nfs/dbraw/zinc/16/90/99/183169099.db2.gz RTOUWIQDPKFBPR-UHFFFAOYSA-N 0 0 306.365 3.660 40 0 DHABRN COc1ccc([C@@H](O)c2ccc(Br)cc2)cc1OC ZINC000042268239 183248165 /nfs/dbraw/zinc/24/81/65/183248165.db2.gz DGNNFTUOIOMNAX-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN CC(C)c1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000042646485 183293945 /nfs/dbraw/zinc/29/39/45/183293945.db2.gz SWFHAWSXCFHOJW-CQSZACIVSA-N 0 0 310.397 3.626 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000043277394 183349467 /nfs/dbraw/zinc/34/94/67/183349467.db2.gz LDTSNOBMZUZGLC-AWEZNQCLSA-N 0 0 315.438 3.834 40 0 DHABRN COc1cc(OC)cc([C@H]2Oc3nc4ccccc4nc3C2O)c1 ZINC000104240499 193994533 /nfs/dbraw/zinc/99/45/33/193994533.db2.gz AZPZSQWVSNMPRW-QGZVFWFLSA-N 0 0 324.336 3.700 40 0 DHABRN CC1(C)CC(=O)OC/C=C/C[C@H](Cc2ccccc2)C(=O)C1 ZINC000104193651 193989487 /nfs/dbraw/zinc/98/94/87/193989487.db2.gz OGKONHYBENQTGO-FYCOFBDGSA-N 0 0 300.398 3.724 40 0 DHABRN CCOC(=O)N/C(=C\c1ccccn1)c1ccc(Cl)cc1 ZINC000104268851 193995652 /nfs/dbraw/zinc/99/56/52/193995652.db2.gz SNCOGJDIPQBWQF-PTNGSMBKSA-N 0 0 302.761 3.979 40 0 DHABRN CCc1cc(N)cc(C)c1NC(=O)c1ccc(Br)o1 ZINC000045889184 183534855 /nfs/dbraw/zinc/53/48/55/183534855.db2.gz PEVKJGUZLZSCGA-UHFFFAOYSA-N 0 0 323.190 3.747 40 0 DHABRN S=C(NCCCOC1CCCC1)Nc1cccc(Cl)c1 ZINC000057815746 184055445 /nfs/dbraw/zinc/05/54/45/184055445.db2.gz RNFNVMRPNXRZRO-UHFFFAOYSA-N 0 0 312.866 3.976 40 0 DHABRN COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000059351590 184137343 /nfs/dbraw/zinc/13/73/43/184137343.db2.gz JWZCNOUDVYZQMB-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN Cc1ccc(C)n1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000059549639 184139606 /nfs/dbraw/zinc/13/96/06/184139606.db2.gz OQGNWXKNHTZHFR-UHFFFAOYSA-N 0 0 320.392 3.921 40 0 DHABRN O=C(CCc1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000062144416 184209082 /nfs/dbraw/zinc/20/90/82/184209082.db2.gz VIHYHZMXSOQTBY-UHFFFAOYSA-N 0 0 312.388 3.997 40 0 DHABRN Cc1cc(Br)cc2nc(-c3ccc(N)cc3)[nH]c21 ZINC000062152881 184209507 /nfs/dbraw/zinc/20/95/07/184209507.db2.gz VRYYSBJZRRNVOZ-UHFFFAOYSA-N 0 0 302.175 3.883 40 0 DHABRN Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccccc1 ZINC000063790257 184288475 /nfs/dbraw/zinc/28/84/75/184288475.db2.gz YCXXBBMFJWTDQP-CQSZACIVSA-N 0 0 300.427 3.749 40 0 DHABRN COc1cccc(-c2nn3c(nnc3-c3ccsc3)s2)c1 ZINC000066088301 184387964 /nfs/dbraw/zinc/38/79/64/184387964.db2.gz COTAXDXZSAZIGT-UHFFFAOYSA-N 0 0 314.395 3.590 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(F)c1 ZINC000113951658 194623267 /nfs/dbraw/zinc/62/32/67/194623267.db2.gz ABCCHKQTIRSCJU-MRXNPFEDSA-N 0 0 303.333 3.630 40 0 DHABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C ZINC000014398305 256526047 /nfs/dbraw/zinc/52/60/47/256526047.db2.gz MVNRXTSTUNSWCO-LLVKDONJSA-N 0 0 315.866 3.755 40 0 DHABRN Cc1c(Cl)cccc1N1C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C1=O ZINC000104807904 256580534 /nfs/dbraw/zinc/58/05/34/256580534.db2.gz GXHXVDZFPOWLBO-CHWSQXEVSA-N 0 0 303.789 3.884 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000113942742 256584750 /nfs/dbraw/zinc/58/47/50/256584750.db2.gz ZJBGLPMGBXLRLL-MRXNPFEDSA-N 0 0 321.323 3.770 40 0 DHABRN Cc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227491 257122539 /nfs/dbraw/zinc/12/25/39/257122539.db2.gz NLNQEDWLVOPSES-GJZGRUSLSA-N 0 0 321.207 3.717 40 0 DHABRN Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227492 257122944 /nfs/dbraw/zinc/12/29/44/257122944.db2.gz NLNQEDWLVOPSES-HUUCEWRRSA-N 0 0 321.207 3.717 40 0 DHABRN OCC1(c2cc(-c3ccc(Br)cc3)on2)CCC1 ZINC000072220660 257124120 /nfs/dbraw/zinc/12/41/20/257124120.db2.gz QPKQSSYVXOAZJH-UHFFFAOYSA-N 0 0 308.175 3.518 40 0 DHABRN COc1ncc([C@H]2CCCCN2C(=O)c2ccccc2)cc1C ZINC000072217758 257124906 /nfs/dbraw/zinc/12/49/06/257124906.db2.gz WWDPOLLZNUABCD-QGZVFWFLSA-N 0 0 310.397 3.766 40 0 DHABRN CCCN(C(=O)OC(C)(C)C)c1ccc(C2=NCCC2)cn1 ZINC000072214659 257125857 /nfs/dbraw/zinc/12/58/57/257125857.db2.gz RTHRGZOMZWUIOT-UHFFFAOYSA-N 0 0 303.406 3.816 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214293 257125936 /nfs/dbraw/zinc/12/59/36/257125936.db2.gz SRAITYSBLGYUBK-SFHVURJKSA-N 0 0 309.413 3.923 40 0 DHABRN CCNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072213103 257127215 /nfs/dbraw/zinc/12/72/15/257127215.db2.gz PTQBSVDEBVNJFT-CQSZACIVSA-N 0 0 305.422 3.976 40 0 DHABRN CCN(CC)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212894 257127400 /nfs/dbraw/zinc/12/74/00/257127400.db2.gz NHCDBCAYXFLACM-OAHLLOKOSA-N 0 0 319.449 4.000 40 0 DHABRN CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(Cl)nc1 ZINC000072211483 257127414 /nfs/dbraw/zinc/12/74/14/257127414.db2.gz TVSFMDJJUBOIST-UHFFFAOYSA-N 0 0 312.797 3.613 40 0 DHABRN OCc1ccccc1-c1nn(-c2ccccc2)c2c1CCCC2 ZINC000057348492 257128728 /nfs/dbraw/zinc/12/87/28/257128728.db2.gz LYVOBIXOWLWBLR-UHFFFAOYSA-N 0 0 304.393 3.910 40 0 DHABRN CCCOc1ccc(Br)cc1/C=C/C(=O)OCC ZINC000062715816 257128732 /nfs/dbraw/zinc/12/87/32/257128732.db2.gz WMNQSOJHFBFBPH-VMPITWQZSA-N 0 0 313.191 3.814 40 0 DHABRN CCOC(=O)c1[nH]cc(C(=O)c2ccc3ccccc3c2)c1C ZINC000062709353 257129291 /nfs/dbraw/zinc/12/92/91/257129291.db2.gz HJWWTTFEOLYHAA-UHFFFAOYSA-N 0 0 307.349 3.884 40 0 DHABRN COc1ccccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000022005557 257129958 /nfs/dbraw/zinc/12/99/58/257129958.db2.gz LDOVUCZVNHYSOY-UHFFFAOYSA-N 0 0 307.390 3.573 40 0 DHABRN COc1cc(C(=O)N2CCCC2)ccc1OCc1ccccc1 ZINC000009973950 257217969 /nfs/dbraw/zinc/21/79/69/257217969.db2.gz CDDRBKJBJRNTRR-UHFFFAOYSA-N 0 0 311.381 3.510 40 0 DHABRN COc1ccc(CSCC(=O)NCc2cccc(C)c2)cc1 ZINC000010447518 257217975 /nfs/dbraw/zinc/21/79/75/257217975.db2.gz LVNXAZBKPLDJGB-UHFFFAOYSA-N 0 0 315.438 3.553 40 0 DHABRN COc1c(F)c(F)c(C(=O)Nc2ccccc2F)c(F)c1F ZINC000009141594 257217978 /nfs/dbraw/zinc/21/79/78/257217978.db2.gz GTJRCXPGTKGFDB-UHFFFAOYSA-N 0 0 317.213 3.643 40 0 DHABRN COc1cc(C(=S)N2CCCCC2)ccc1OCC(C)C ZINC000409197663 257221460 /nfs/dbraw/zinc/22/14/60/257221460.db2.gz LPIDOOIZVJSCDS-UHFFFAOYSA-N 0 0 307.459 3.891 40 0 DHABRN COCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O ZINC000409129632 257222358 /nfs/dbraw/zinc/22/23/58/257222358.db2.gz VERFPKFVMGABRK-SDNWHVSQSA-N 0 0 319.426 3.667 40 0 DHABRN Cc1cccc(CN2C(=O)S/C(=C\c3cccn3C)C2=O)c1 ZINC000409101969 257223044 /nfs/dbraw/zinc/22/30/44/257223044.db2.gz ZSCRJABFVDSSRQ-GDNBJRDFSA-N 0 0 312.394 3.570 40 0 DHABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3)S2)cc1 ZINC000408775113 257226412 /nfs/dbraw/zinc/22/64/12/257226412.db2.gz ODFJBWGYLQRJBL-XSVZSIDJSA-N 0 0 310.422 3.849 40 0 DHABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(F)cc1 ZINC000408809493 257226908 /nfs/dbraw/zinc/22/69/08/257226908.db2.gz HRCPDEVBLHUPRX-UHFFFAOYSA-N 0 0 317.340 3.728 40 0 DHABRN C(=C/c1nnc(-c2ccccc2)o1)\c1nnc(-c2ccccc2)o1 ZINC000408720493 257227664 /nfs/dbraw/zinc/22/76/64/257227664.db2.gz RHWFHCXZKQIMDO-VAWYXSNFSA-N 0 0 316.320 3.957 40 0 DHABRN CCn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2ccccc21 ZINC000408713278 257227827 /nfs/dbraw/zinc/22/78/27/257227827.db2.gz RGGQBFWADLICSC-UHFFFAOYSA-N 0 0 306.365 3.582 40 0 DHABRN CC(C)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 ZINC000408709421 257228138 /nfs/dbraw/zinc/22/81/38/257228138.db2.gz SPJIKMQTSJSRDY-UHFFFAOYSA-N 0 0 316.445 3.835 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCCC2)cc1 ZINC000408680511 257228568 /nfs/dbraw/zinc/22/85/68/257228568.db2.gz MVBKWRMFIWSURC-HNNXBMFYSA-N 0 0 321.486 3.944 40 0 DHABRN COc1ccc(C(=O)Oc2ccccc2/C=C(\C)[N+](=O)[O-])cc1 ZINC000408527058 257230202 /nfs/dbraw/zinc/23/02/02/257230202.db2.gz JUMVEGLAHOYHPP-VAWYXSNFSA-N 0 0 313.309 3.552 40 0 DHABRN O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 ZINC000408526898 257230223 /nfs/dbraw/zinc/23/02/23/257230223.db2.gz CBEJDUPTQJLETA-UHFFFAOYSA-N 0 0 300.314 3.563 40 0 DHABRN O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1 ZINC000408526757 257230496 /nfs/dbraw/zinc/23/04/96/257230496.db2.gz AWIMZCKMBLEYMV-UHFFFAOYSA-N 0 0 312.275 3.641 40 0 DHABRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000013790794 257231683 /nfs/dbraw/zinc/23/16/83/257231683.db2.gz MNMCTUKIYBUPTC-GFCCVEGCSA-N 0 0 314.410 3.505 40 0 DHABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1F ZINC000020137725 257213645 /nfs/dbraw/zinc/21/36/45/257213645.db2.gz SNIKRJIRBARWKC-UHFFFAOYSA-N 0 0 311.312 3.830 40 0 DHABRN CC1(C)CC(=O)C2=C(c3cc(Cl)cc(Cl)c3)NN[C@H]2C1 ZINC000228930465 257214604 /nfs/dbraw/zinc/21/46/04/257214604.db2.gz AFVOKJASULFNCN-WCQYABFASA-N 0 0 311.212 3.675 40 0 DHABRN C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CC/C(=C/CO)CO ZINC000031157441 257215735 /nfs/dbraw/zinc/21/57/35/257215735.db2.gz NNDLUXBYTPAACV-ZJDPNWPPSA-N 0 0 324.505 3.671 40 0 biogenic,in-vitro DHABRN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N)n2)cc1OC ZINC000071977845 184917801 /nfs/dbraw/zinc/91/78/01/184917801.db2.gz FAUBYCKFLJDAMX-UHFFFAOYSA-N 0 0 321.380 3.718 40 0 DHABRN COCc1cccc(NC(=O)c2cc3cccc(OC)c3o2)c1 ZINC000121075368 195290812 /nfs/dbraw/zinc/29/08/12/195290812.db2.gz KHVXASXABMPXLT-UHFFFAOYSA-N 0 0 311.337 3.840 40 0 DHABRN c1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)N2)cc1 ZINC000003957464 134457122 /nfs/dbraw/zinc/45/71/22/134457122.db2.gz DKUZMXLSCVOALE-UHFFFAOYSA-N 0 0 314.392 3.837 40 0 DHABRN CCCCOc1ccc(C2=C3C(=O)CC(C)(C)C[C@@H]3NN2)cc1 ZINC000228928530 262505751 /nfs/dbraw/zinc/50/57/51/262505751.db2.gz YGFYSOXAKNINQE-RDJZCZTQSA-N 0 0 314.429 3.547 40 0 DHABRN Cc1nn(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000016266381 262512766 /nfs/dbraw/zinc/51/27/66/262512766.db2.gz JJSBEIKAVVFWFX-UHFFFAOYSA-N 0 0 322.755 3.630 40 0 DHABRN CCc1cnccc1[C@H](C)NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000332799546 332873862 /nfs/dbraw/zinc/87/38/62/332873862.db2.gz QQOWVWFSBWKEJJ-RKTXRCNFSA-N 0 0 315.461 3.973 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1C ZINC000013647362 331545135 /nfs/dbraw/zinc/54/51/35/331545135.db2.gz ZCUQVCUKNKLZAX-OUKQBFOZSA-N 0 0 309.365 3.824 40 0 DHABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(F)c1 ZINC000020138122 331584225 /nfs/dbraw/zinc/58/42/25/331584225.db2.gz BFKVDXUFIBPBJL-UHFFFAOYSA-N 0 0 311.312 3.830 40 0 DHABRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)C1=C[C@@H]3C=C[C@H]4C=C[C@H]1[C@H]34)C2 ZINC000045070537 332294684 /nfs/dbraw/zinc/29/46/84/332294684.db2.gz NEXIGXOTTLWWTF-XSLNGYQOSA-N 0 0 309.453 3.862 40 0 DHABRN CCOc1cccc(NC(=S)NCc2ccccc2OC)c1 ZINC000225312857 333410837 /nfs/dbraw/zinc/41/08/37/333410837.db2.gz DLZWLAUKEUBTTE-UHFFFAOYSA-N 0 0 316.426 3.581 40 0 DHABRN O=C(Nc1ccc2c(n1)CCCC2=O)c1cccc2c1CCCC2 ZINC000333834731 336210690 /nfs/dbraw/zinc/21/06/90/336210690.db2.gz LZODJAXMYZVSHZ-UHFFFAOYSA-N 0 0 320.392 3.732 40 0 DHABRN CCc1ccc(CC(=O)NCCOc2ccc(CC)cc2)cc1 ZINC000225164989 517846588 /nfs/dbraw/zinc/84/65/88/517846588.db2.gz KRISUTFWKSVVCW-UHFFFAOYSA-N 0 0 311.425 3.549 40 0 DHABRN Cc1ccc(OCCNC(=O)CCc2ccccc2Cl)cc1 ZINC000031241592 525418245 /nfs/dbraw/zinc/41/82/45/525418245.db2.gz PPGABUAUAJKCDP-UHFFFAOYSA-N 0 0 317.816 3.776 40 0 DHABRN CCNc1nc(Nc2c(C)cc(Cl)cc2C)cc(C2CC2)n1 ZINC000329016903 528001010 /nfs/dbraw/zinc/00/10/10/528001010.db2.gz NKCIPUUJNFPEPI-UHFFFAOYSA-N 0 0 316.836 3.643 40 0 DHABRN Cc1cc(Cl)ccc1NC(=O)C(=O)NCCC1=CCCCC1 ZINC000048661007 563574549 /nfs/dbraw/zinc/57/45/49/563574549.db2.gz VXLFJDUDWZIRHM-UHFFFAOYSA-N 0 0 320.820 3.594 40 0 DHABRN CC(C)c1ccccc1OCC(=O)NCCSC(C)(C)C ZINC000222806091 563728717 /nfs/dbraw/zinc/72/87/17/563728717.db2.gz UTELNWMSTONLOM-UHFFFAOYSA-N 0 0 309.475 3.837 40 0 DHABRN CCOc1ccc(C(=O)NCC2CCCCC2)cc1OCC ZINC000225066344 563747896 /nfs/dbraw/zinc/74/78/96/563747896.db2.gz FXJQIXHNXUDPDJ-UHFFFAOYSA-N 0 0 305.418 3.794 40 0 DHABRN CCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 ZINC000225724676 563761101 /nfs/dbraw/zinc/76/11/01/563761101.db2.gz ABWYKFRZSVSZCD-GOSISDBHSA-N 0 0 305.418 3.926 40 0 DHABRN Cc1ccc2[nH]c([C@H]3CCN(C(=O)c4ccccc4)C3)nc2c1 ZINC000049168696 560084946 /nfs/dbraw/zinc/08/49/46/560084946.db2.gz GKJSWASVLAQECW-HNNXBMFYSA-N 0 0 305.381 3.501 40 0 biogenic,in-vitro DHABRN Cc1ccc2nc(-c3ccc(O)cc3)c(NC[C@H]3CCCO3)n2c1 ZINC000000417323 563252735 /nfs/dbraw/zinc/25/27/35/563252735.db2.gz CTFVPRIWFNUXDY-MRXNPFEDSA-N 0 0 323.396 3.606 40 0 DHABRN COc1ccc(NC(=O)c2ccc(F)cc2)cc1Br ZINC000000570582 563267308 /nfs/dbraw/zinc/26/73/08/563267308.db2.gz RTVAZASTICGNEE-UHFFFAOYSA-N 0 0 324.149 3.849 40 0 DHABRN COc1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000579655 563267707 /nfs/dbraw/zinc/26/77/07/563267707.db2.gz IUQIDDRTWXBWEG-NSHDSACASA-N 0 0 305.761 3.755 40 0 DHABRN O=S(=O)(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000001595684 563287036 /nfs/dbraw/zinc/28/70/36/563287036.db2.gz LZUZNLKBDZYINO-IRXDYDNUSA-N 0 0 315.438 3.691 40 0 DHABRN COc1cc(C2(C)SCCCS2)cc(OC)c1OC ZINC000001630484 563288835 /nfs/dbraw/zinc/28/88/35/563288835.db2.gz OBVMGBSOVFSAPT-UHFFFAOYSA-N 0 0 300.445 3.755 40 0 DHABRN CSc1nc2c(nc(SC)[nH]c2=S)n1-c1ccccc1 ZINC000001665490 563290079 /nfs/dbraw/zinc/29/00/79/563290079.db2.gz OJOBDHRUJMNQID-UHFFFAOYSA-N 0 0 320.468 3.922 40 0 DHABRN COC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)OC)ccc1-2 ZINC000001665407 563290093 /nfs/dbraw/zinc/29/00/93/563290093.db2.gz YLGBNQBURVBZMA-UHFFFAOYSA-N 0 0 312.325 3.614 40 0 DHABRN CCOP(=O)(OCC)Oc1cc(C)c(N(C)C)c(C)c1 ZINC000001719937 563293110 /nfs/dbraw/zinc/29/31/10/563293110.db2.gz MEGPIFVRYWRYDD-UHFFFAOYSA-N 0 0 301.323 3.929 40 0 DHABRN CC(C)NC(=O)Oc1ccccc1C(=O)OCc1ccccc1 ZINC000001752963 563294976 /nfs/dbraw/zinc/29/49/76/563294976.db2.gz DPPUWOXDXNKZGQ-UHFFFAOYSA-N 0 0 313.353 3.540 40 0 DHABRN O=C(Cc1ccc(Br)cc1)c1cc(F)ccc1O ZINC000002243277 563302428 /nfs/dbraw/zinc/30/24/28/563302428.db2.gz UKXGFMPVSZUPIP-UHFFFAOYSA-N 0 0 309.134 3.719 40 0 DHABRN CCCOc1ccc(C=C2SC(=S)NC2=O)cc1OC ZINC000002536786 563308515 /nfs/dbraw/zinc/30/85/15/563308515.db2.gz LBMSMTHZJWLOPX-XYOKQWHBSA-N 0 0 309.412 3.813 40 0 DHABRN CCOc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 ZINC000003093621 563321742 /nfs/dbraw/zinc/32/17/42/563321742.db2.gz HAUGHSNSYUKOOR-UHFFFAOYSA-N 0 0 321.380 3.898 40 0 DHABRN C[C@H](O)CCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)CC2 ZINC000003844789 563325921 /nfs/dbraw/zinc/32/59/21/563325921.db2.gz CACXCWDOGLCTAA-CVEARBPZSA-N 0 0 323.436 3.982 40 0 DHABRN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000005474505 563330021 /nfs/dbraw/zinc/33/00/21/563330021.db2.gz CPXUUXPXBWGZAG-UHFFFAOYSA-N 0 0 305.324 3.908 40 0 DHABRN S=C(NCc1ccc(Cl)nc1)Nc1ccc(Cl)cc1 ZINC000006926427 563335327 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ZINC000036623409 563456694 /nfs/dbraw/zinc/45/66/94/563456694.db2.gz QIXVNTFHWPRFLR-CYBMUJFWSA-N 0 0 313.397 3.757 40 0 DHABRN Fc1ccccc1CN(CCCn1ccnc1)Cc1ccco1 ZINC000036740351 563456916 /nfs/dbraw/zinc/45/69/16/563456916.db2.gz ZZFLBKXRWQGZPD-UHFFFAOYSA-N 0 0 313.376 3.708 40 0 DHABRN O=c1c(Cl)c(-c2cn(Cc3ccccc3)c3ccccc23)c1=O ZINC000070631888 563457945 /nfs/dbraw/zinc/45/79/45/563457945.db2.gz MTEFXYREOLYSKL-UHFFFAOYSA-N 0 0 321.763 3.606 40 0 DHABRN CN(CCc1ccccn1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000037866046 563459655 /nfs/dbraw/zinc/45/96/55/563459655.db2.gz SVDZPIVNFBEDFQ-UHFFFAOYSA-N 0 0 314.388 3.972 40 0 in-vitro DHABRN C[C@H](Oc1ccccc1)C(=O)NCc1ccc2ccccc2c1 ZINC000045201341 563464914 /nfs/dbraw/zinc/46/49/14/563464914.db2.gz HVPHRYIQJUPVJH-HNNXBMFYSA-N 0 0 305.377 3.924 40 0 DHABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccnc2)c1 ZINC000045584660 563465015 /nfs/dbraw/zinc/46/50/15/563465015.db2.gz KMAPXBMWHVGOAW-HNNXBMFYSA-N 0 0 312.413 3.597 40 0 DHABRN COc1ccccc1Nc1cc(N)nc(-c2ccc(F)cc2)n1 ZINC000049467991 563467300 /nfs/dbraw/zinc/46/73/00/563467300.db2.gz OKACYFXKNNRLTM-UHFFFAOYSA-N 0 0 310.332 3.617 40 0 DHABRN CC(=O)c1cccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)c1 ZINC000049467987 563467718 /nfs/dbraw/zinc/46/77/18/563467718.db2.gz UQGGAVZLOJMWIS-UHFFFAOYSA-N 0 0 322.343 3.811 40 0 DHABRN CCC(C)=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000013809966 563477325 /nfs/dbraw/zinc/47/73/25/563477325.db2.gz KHBKTDJNVWPIOM-CYGHRXIMSA-N 0 0 307.393 3.643 40 0 DHABRN CCN(Cc1ccccc1)C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000060603745 563479532 /nfs/dbraw/zinc/47/95/32/563479532.db2.gz OXOGJWQCGNPLNY-UHFFFAOYSA-N 0 0 319.408 3.594 40 0 DHABRN C[C@H](NC(=O)COc1cccc2cccnc21)c1ccc(F)cc1 ZINC000069052234 563495888 /nfs/dbraw/zinc/49/58/88/563495888.db2.gz AIILZUHZSFLZLJ-ZDUSSCGKSA-N 0 0 324.355 3.630 40 0 DHABRN Cc1cc(-c2cnc(NCc3ccccn3)nc2C(C)(C)C)on1 ZINC000072341133 563503716 /nfs/dbraw/zinc/50/37/16/563503716.db2.gz QLFPFEOCSTWMGT-UHFFFAOYSA-N 0 0 323.400 3.745 40 0 DHABRN Cc1ccc(C)c(-c2noc(COc3cccc(C=O)c3)n2)c1 ZINC000089262887 563524221 /nfs/dbraw/zinc/52/42/21/563524221.db2.gz OCVLMLQCGQYJMA-UHFFFAOYSA-N 0 0 308.337 3.745 40 0 DHABRN Cc1ccc(-c2noc(COc3ccc(C=O)cc3)n2)cc1C ZINC000089262925 563524276 /nfs/dbraw/zinc/52/42/76/563524276.db2.gz MMAFTMSUYTTXCQ-UHFFFAOYSA-N 0 0 308.337 3.745 40 0 DHABRN CC(=O)N1CCC[C@@H]1c1ccnc(-c2nc(C)c(C)s2)c1 ZINC000585179624 563525606 /nfs/dbraw/zinc/52/56/06/563525606.db2.gz MJEMARCSVMIWEB-OAHLLOKOSA-N 0 0 301.415 3.505 40 0 DHABRN CCOC(=S)SCC(=O)c1ccc(N2CCCC2)cc1 ZINC000095092976 563528163 /nfs/dbraw/zinc/52/81/63/563528163.db2.gz PYDWBBNOKQDQGS-UHFFFAOYSA-N 0 0 309.456 3.524 40 0 DHABRN c1ccc([C@@H]2NC(c3cccnc3)N[C@H]2c2ccccc2)cc1 ZINC000095864407 563530816 /nfs/dbraw/zinc/53/08/16/563530816.db2.gz PIERABFKEOQDML-OALUTQOASA-N 0 0 301.393 3.756 40 0 DHABRN c1cc(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cs1 ZINC000096057905 563532610 /nfs/dbraw/zinc/53/26/10/563532610.db2.gz 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201501987 /nfs/dbraw/zinc/50/19/87/201501987.db2.gz WLBOEIKINYSVTC-SOFGYWHQSA-N 0 0 317.772 3.890 40 0 DHABRN COc1cc2[nH]c(-c3cccc(N)c3)nc2c(Br)c1 ZINC000216918047 201504305 /nfs/dbraw/zinc/50/43/05/201504305.db2.gz FELXJRUZPNTRNZ-UHFFFAOYSA-N 0 0 318.174 3.583 40 0 DHABRN Cc1ccc(C)c(CC(=O)N[C@H](C)COc2ccccc2C)c1 ZINC000219276127 201553310 /nfs/dbraw/zinc/55/33/10/201553310.db2.gz VTJZWVDLXAGBFC-QGZVFWFLSA-N 0 0 311.425 3.738 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCCc2ccccc21 ZINC000219571560 201560398 /nfs/dbraw/zinc/56/03/98/201560398.db2.gz LIOQLWMQVQARCA-KRWDZBQOSA-N 0 0 313.372 3.963 40 0 DHABRN COC(=O)c1cn(C(=O)Nc2cccc(OC)c2)c2ccccc12 ZINC000222654705 201617702 /nfs/dbraw/zinc/61/77/02/201617702.db2.gz WICFHVVBAARBBS-UHFFFAOYSA-N 0 0 324.336 3.517 40 0 DHABRN Cc1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1 ZINC000222759865 201620909 /nfs/dbraw/zinc/62/09/09/201620909.db2.gz KSRWHPAUMYFBEP-UHFFFAOYSA-N 0 0 317.816 3.776 40 0 DHABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000222769168 201623276 /nfs/dbraw/zinc/62/32/76/201623276.db2.gz VFGXUPNSZOXNSK-CHWSQXEVSA-N 0 0 323.874 3.789 40 0 DHABRN CC(C)(C)SCCNC(=O)COc1ccc2ccccc2c1 ZINC000222832453 201624546 /nfs/dbraw/zinc/62/45/46/201624546.db2.gz NTVCRGDFPMBWKQ-UHFFFAOYSA-N 0 0 317.454 3.867 40 0 DHABRN COc1ccccc1CN(C)C(=O)Cc1ccc(Cl)cc1F ZINC000223543814 201647643 /nfs/dbraw/zinc/64/76/43/201647643.db2.gz FTGDOQIUGJOGHU-UHFFFAOYSA-N 0 0 321.779 3.689 40 0 DHABRN CC[C@@H](C(=O)OC)N1c2c(OC)cccc2[C@@H](C)CC1(C)C ZINC000223201020 201636047 /nfs/dbraw/zinc/63/60/47/201636047.db2.gz HSEWCIMDIAEQOE-JSGCOSHPSA-N 0 0 305.418 3.739 40 0 DHABRN CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000224681867 201678251 /nfs/dbraw/zinc/67/82/51/201678251.db2.gz SQHPARISDQPSDG-UHFFFAOYSA-N 0 0 303.427 3.827 40 0 DHABRN CCN(CCNC(=O)c1ccc(C)cc1Cl)c1ccccc1 ZINC000225005236 201682619 /nfs/dbraw/zinc/68/26/19/201682619.db2.gz BGYILRZLMFLNLR-UHFFFAOYSA-N 0 0 316.832 3.905 40 0 DHABRN C[C@@H](CNC(=O)COc1cccc2c1CCCC2)c1ccccc1 ZINC000225133960 201688083 /nfs/dbraw/zinc/68/80/83/201688083.db2.gz LPZMJLYOSMVREW-INIZCTEOSA-N 0 0 323.436 3.864 40 0 DHABRN Cc1ccc([C@H]2CN(Cc3ccc4ccccc4n3)CCO2)nc1 ZINC000257296969 203020978 /nfs/dbraw/zinc/02/09/78/203020978.db2.gz RFFKOWFGDKNUDO-HXUWFJFHSA-N 0 0 319.408 3.512 40 0 DHABRN Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)cn1 ZINC000257295676 203021682 /nfs/dbraw/zinc/02/16/82/203021682.db2.gz QZKNTNWPAMFMFC-INIZCTEOSA-N 0 0 312.388 3.624 40 0 DHABRN O=C(C1CCC(F)(F)CC1)N1CCC[C@H](Cc2ccccn2)C1 ZINC000257304013 203027183 /nfs/dbraw/zinc/02/71/83/203027183.db2.gz SJSGUPCGWIDRTR-CQSZACIVSA-N 0 0 322.399 3.688 40 0 DHABRN Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)C(C)C)nc1 ZINC000257329468 203053838 /nfs/dbraw/zinc/05/38/38/203053838.db2.gz XKCFFYFFNNBBRM-MRXNPFEDSA-N 0 0 313.401 3.673 40 0 DHABRN c1csc(-c2n[nH]cc2CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000257331914 203054255 /nfs/dbraw/zinc/05/42/55/203054255.db2.gz XUVKNDBLLZBZJW-AWEZNQCLSA-N 0 0 313.430 3.589 40 0 DHABRN Cc1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)cc1 ZINC000096296231 193611660 /nfs/dbraw/zinc/61/16/60/193611660.db2.gz XQQRFXSBQYURJL-INIZCTEOSA-N 0 0 314.429 3.854 40 0 biogenic,in-vitro DHABRN CCc1nc2n(n1)[C@@H](c1ccco1)CC(c1ccc(F)cc1)=N2 ZINC000008570212 181565127 /nfs/dbraw/zinc/56/51/27/181565127.db2.gz PSECKEPVWALBTF-CQSZACIVSA-N 0 0 310.332 3.629 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)c2ccccc2F)C1 ZINC000012141957 181731878 /nfs/dbraw/zinc/73/18/78/181731878.db2.gz JQLOZHHTOOOIFC-LBPRGKRZSA-N 0 0 307.365 3.656 40 0 DHABRN CC(C)=C[C@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000013374351 181847297 /nfs/dbraw/zinc/84/72/97/181847297.db2.gz VNADFOGBKXRWGC-SBNBMVPLSA-N 0 0 314.381 3.835 40 0 biogenic,in-vivo DHABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(C)c(C)c1 ZINC000015471242 182004188 /nfs/dbraw/zinc/00/41/88/182004188.db2.gz KGEFYZSITHFBRY-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN C=CC=Cc1nc(NC(=S)Nc2nc3ccccc3[nH]2)[nH]c1C ZINC000016264946 182038859 /nfs/dbraw/zinc/03/88/59/182038859.db2.gz CZEHICHSNSBEQF-DAXSKMNVSA-N 0 0 324.413 3.603 40 0 DHABRN Cc1cc(C)n2cc(CSc3cnc4ccccc4n3)nc2n1 ZINC000016283449 182039034 /nfs/dbraw/zinc/03/90/34/182039034.db2.gz XJVUPFVWWKYCPP-UHFFFAOYSA-N 0 0 321.409 3.582 40 0 DHABRN Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000016449402 182045079 /nfs/dbraw/zinc/04/50/79/182045079.db2.gz HMDLZUPVPOQOSG-UHFFFAOYSA-N 0 0 324.163 3.615 40 0 DHABRN CCCCCCOc1ccc(/C=C2\SC(=N)NC2=O)cc1 ZINC000016638260 182054633 /nfs/dbraw/zinc/05/46/33/182054633.db2.gz JVCVCBMNZPMYGS-KAMYIIQDSA-N 0 0 304.415 3.784 40 0 DHABRN Cc1ccc(NC(=S)NCCc2ccc(O)cc2)cc1C ZINC000017025136 182068536 /nfs/dbraw/zinc/06/85/36/182068536.db2.gz REFGHSNQTXELII-UHFFFAOYSA-N 0 0 300.427 3.538 40 0 DHABRN O=C1C[C@@H](c2ccccc2O)Cc2c1cnn2-c1ccccc1F ZINC000017055963 182073354 /nfs/dbraw/zinc/07/33/54/182073354.db2.gz BMRSJIFXWJDELA-LBPRGKRZSA-N 0 0 322.339 3.630 40 0 DHABRN C[C@@H]1N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C1(C)C ZINC000017105089 182074648 /nfs/dbraw/zinc/07/46/48/182074648.db2.gz MLMXURVUXDFYOS-QMMMGPOBSA-N 0 0 310.319 3.663 40 0 DHABRN C[C@H]1N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C1(C)C ZINC000017105090 182074949 /nfs/dbraw/zinc/07/49/49/182074949.db2.gz MLMXURVUXDFYOS-MRVPVSSYSA-N 0 0 310.319 3.663 40 0 DHABRN O=C(NCCC1=CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000017335227 182084108 /nfs/dbraw/zinc/08/41/08/182084108.db2.gz QKQKGLKZHCXSFV-UHFFFAOYSA-N 0 0 309.413 3.552 40 0 DHABRN CSc1ccccc1C(=O)NCCOc1ccc(Cl)cc1 ZINC000018150915 182095389 /nfs/dbraw/zinc/09/53/89/182095389.db2.gz VSRXSJZKWWQNRH-UHFFFAOYSA-N 0 0 321.829 3.871 40 0 DHABRN Cc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1N ZINC000019263496 182112150 /nfs/dbraw/zinc/11/21/50/182112150.db2.gz FQGDWDJKMCHZBO-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN Fc1ccccc1Nc1noc2c1CN(Cc1cccnc1)CC2 ZINC000019350099 182118187 /nfs/dbraw/zinc/11/81/87/182118187.db2.gz IJNNOMBJXPGZIN-UHFFFAOYSA-N 0 0 324.359 3.511 40 0 DHABRN CCn1cc(CN2CCCCC[C@H]2c2cc(C)on2)c(C)n1 ZINC000019524549 182127828 /nfs/dbraw/zinc/12/78/28/182127828.db2.gz KTKXNONDYYRDGG-KRWDZBQOSA-N 0 0 302.422 3.625 40 0 DHABRN Cc1nn([C@H](C)CC(=O)Nc2ccnn2C(C)C)c(C)c1Cl ZINC000019577575 182130908 /nfs/dbraw/zinc/13/09/08/182130908.db2.gz ACEBANZJXWQVKZ-SNVBAGLBSA-N 0 0 323.828 3.521 40 0 DHABRN CCc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019842630 182155598 /nfs/dbraw/zinc/15/55/98/182155598.db2.gz QPFKHTYJIPXONE-UHFFFAOYSA-N 0 0 324.493 3.742 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000019932062 182166373 /nfs/dbraw/zinc/16/63/73/182166373.db2.gz SKANZSHMIUJOAU-CYBMUJFWSA-N 0 0 301.411 3.839 40 0 DHABRN CCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1C ZINC000020029941 182181565 /nfs/dbraw/zinc/18/15/65/182181565.db2.gz ARKXDHXJPVVTSH-UHFFFAOYSA-N 0 0 323.389 3.642 40 0 DHABRN COc1ccc(CO)cc1OCc1ccc(Br)cc1 ZINC000020032359 182182230 /nfs/dbraw/zinc/18/22/30/182182230.db2.gz NFUNARVUSXHJRC-UHFFFAOYSA-N 0 0 323.186 3.529 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCCC(C)(C)C1 ZINC000020042190 182182950 /nfs/dbraw/zinc/18/29/50/182182950.db2.gz FPLIRBSCDGXSMU-INIZCTEOSA-N 0 0 305.418 3.501 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1cccc(C)c1)c1ccc(C)cc1 ZINC000020048528 182183712 /nfs/dbraw/zinc/18/37/12/182183712.db2.gz UWNSHXRCERTXAV-SFHVURJKSA-N 0 0 317.454 3.874 40 0 DHABRN Cc1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000020050822 182183820 /nfs/dbraw/zinc/18/38/20/182183820.db2.gz SDPCEXAXMOYTFV-DHZHZOJOSA-N 0 0 317.392 3.510 40 0 DHABRN Cc1ccc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020104684 182187010 /nfs/dbraw/zinc/18/70/10/182187010.db2.gz XVRLGXSBMHLTOO-UHFFFAOYSA-N 0 0 317.454 3.741 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 ZINC000020450784 182218533 /nfs/dbraw/zinc/21/85/33/182218533.db2.gz YBOSKBAYSIIXQR-HUUCEWRRSA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccc(OC)c(CC(=O)Nc2ccccc2SC)c1 ZINC000020447892 182218893 /nfs/dbraw/zinc/21/88/93/182218893.db2.gz BSBZCMNTQFNGSS-UHFFFAOYSA-N 0 0 317.410 3.607 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000020455740 182219455 /nfs/dbraw/zinc/21/94/55/182219455.db2.gz ILNQYTKEHSRJNL-SNVBAGLBSA-N 0 0 323.751 3.894 40 0 DHABRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)c(C)c1 ZINC000020461421 182220795 /nfs/dbraw/zinc/22/07/95/182220795.db2.gz LWVBPDJNYGGLBT-CQSZACIVSA-N 0 0 321.417 3.623 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000020462222 182220934 /nfs/dbraw/zinc/22/09/34/182220934.db2.gz JHJYSWTZHCIYGY-NSHDSACASA-N 0 0 305.324 3.933 40 0 DHABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccn1 ZINC000020491484 182223914 /nfs/dbraw/zinc/22/39/14/182223914.db2.gz QCNKXTXGFOUOOT-HNNXBMFYSA-N 0 0 320.845 3.922 40 0 DHABRN COc1ccc(N)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000021816667 182292537 /nfs/dbraw/zinc/29/25/37/182292537.db2.gz VHDPNOYDSONYEH-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN Nc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 ZINC000021816595 182292736 /nfs/dbraw/zinc/29/27/36/182292736.db2.gz SXKWZBXAFKHMKS-UHFFFAOYSA-N 0 0 303.774 3.784 40 0 DHABRN COc1ccc(NC(=O)CCc2ccccc2Cl)c(OC)c1 ZINC000022130833 182309655 /nfs/dbraw/zinc/30/96/55/182309655.db2.gz OOBZSGDTNOTOCW-UHFFFAOYSA-N 0 0 319.788 3.929 40 0 DHABRN CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000022259204 182315911 /nfs/dbraw/zinc/31/59/11/182315911.db2.gz AGWVVEKSTWMQIM-UHFFFAOYSA-N 0 0 303.427 3.631 40 0 DHABRN CCN(CC)C(=O)c1sc(N(C)c2ccccc2)nc1C ZINC000022245378 182314762 /nfs/dbraw/zinc/31/47/62/182314762.db2.gz JECNLCIGBIHMPI-UHFFFAOYSA-N 0 0 303.431 3.701 40 0 DHABRN O=C(CSCc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000022510717 182324465 /nfs/dbraw/zinc/32/44/65/182324465.db2.gz OIUBAFPXQXRKJD-UHFFFAOYSA-N 0 0 315.413 3.644 40 0 DHABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2sccc2C)c1 ZINC000023099578 182346981 /nfs/dbraw/zinc/34/69/81/182346981.db2.gz PUJFFMUQAWPHGJ-LLVKDONJSA-N 0 0 305.399 3.565 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000023530222 182363304 /nfs/dbraw/zinc/36/33/04/182363304.db2.gz NOTPDESUEFKEJY-CABCVRRESA-N 0 0 313.397 3.648 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1C ZINC000032476011 182644147 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563256880 /nfs/dbraw/zinc/25/68/80/563256880.db2.gz MNHDPTVCACLTCZ-VQTJNVASSA-N 0 0 311.425 3.751 40 0 DHABRN Nn1c(SCc2c(F)cccc2F)nnc1C1CCCCC1 ZINC000000530704 563264760 /nfs/dbraw/zinc/26/47/60/563264760.db2.gz JTBMARBPQHVRNJ-UHFFFAOYSA-N 0 0 324.400 3.610 40 0 DHABRN Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000000569757 563267267 /nfs/dbraw/zinc/26/72/67/563267267.db2.gz AXFXXLYQCCXXCG-UHFFFAOYSA-N 0 0 324.424 3.921 40 0 DHABRN COC(=O)CCSC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001580512 563285667 /nfs/dbraw/zinc/28/56/67/563285667.db2.gz ZBNSNABCOCGUAA-UHFFFAOYSA-N 0 0 307.293 3.534 40 0 DHABRN Cc1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)c1 ZINC000001573467 563285703 /nfs/dbraw/zinc/28/57/03/563285703.db2.gz SWIUQBFXLZSMJW-UHFFFAOYSA-N 0 0 309.325 3.826 40 0 in-vitro DHABRN CC(=O)N1C=Cc2ccccc2[C@@H]1[C@H]1NC=Cc2ccccc21 ZINC000001577830 563285744 /nfs/dbraw/zinc/28/57/44/563285744.db2.gz AJSRKSMZXNELTH-VQTJNVASSA-N 0 0 302.377 3.876 40 0 DHABRN COc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1OC 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O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1cccs1 ZINC000008071222 563344070 /nfs/dbraw/zinc/34/40/70/563344070.db2.gz OWDTXOGTLHIJNX-UHFFFAOYSA-N 0 0 314.288 3.501 40 0 DHABRN CCC[C@H](C)NC(=S)Nc1cccc(Br)c1 ZINC000008104804 563344529 /nfs/dbraw/zinc/34/45/29/563344529.db2.gz LHOWZWHOMDAVGR-VIFPVBQESA-N 0 0 301.253 3.924 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1OC ZINC000008265079 563345391 /nfs/dbraw/zinc/34/53/91/563345391.db2.gz ZGUOHLDVYQEOEX-GFCCVEGCSA-N 0 0 300.358 3.587 40 0 DHABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccccc1 ZINC000008478201 563346989 /nfs/dbraw/zinc/34/69/89/563346989.db2.gz FFRVDWTUUOMBAT-GDBMZVCRSA-N 0 0 313.397 3.730 40 0 DHABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1C ZINC000009140068 563352217 /nfs/dbraw/zinc/35/22/17/563352217.db2.gz FDQDUQICTNTOAE-UHFFFAOYSA-N 0 0 305.761 3.918 40 0 DHABRN Cc1ccn2cc(-c3ccc4c(c3)CCN4C(=O)C(C)C)nc2c1 ZINC000012088181 563361525 /nfs/dbraw/zinc/36/15/25/563361525.db2.gz STPXCHLNFSHHAL-UHFFFAOYSA-N 0 0 319.408 3.855 40 0 DHABRN CC[C@@H](C)C(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 ZINC000012088186 563361701 /nfs/dbraw/zinc/36/17/01/563361701.db2.gz MZPINWSYPQZCEI-CQSZACIVSA-N 0 0 319.408 3.937 40 0 DHABRN CCOc1ccc2cc(CNc3ccc(OC)cc3)c(=O)[nH]c2c1 ZINC000012144307 563363078 /nfs/dbraw/zinc/36/30/78/563363078.db2.gz YZADSCAZIVHNIY-UHFFFAOYSA-N 0 0 324.380 3.548 40 0 DHABRN O=C(c1ccncc1)N1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000012188064 563363967 /nfs/dbraw/zinc/36/39/67/563363967.db2.gz UEFYMHAYHBZGNV-SFHVURJKSA-N 0 0 317.392 3.650 40 0 DHABRN CCCOc1ccccc1CN1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000012186514 563364088 /nfs/dbraw/zinc/36/40/88/563364088.db2.gz KVIFUVDMSVAHAY-QFBILLFUSA-N 0 0 323.440 3.836 40 0 DHABRN Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)c3ccccn3)nc2c1 ZINC000012221583 563364697 /nfs/dbraw/zinc/36/46/97/563364697.db2.gz LYEPCAVIQZVIPG-QGZVFWFLSA-N 0 0 320.396 3.634 40 0 DHABRN Cc1ncc([C@](C)(O)c2cccc(C)c2)n1Cc1ccccc1 ZINC000013281781 563380295 /nfs/dbraw/zinc/38/02/95/563380295.db2.gz GEXDFFCKCICNEA-HXUWFJFHSA-N 0 0 306.409 3.804 40 0 DHABRN Cc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000013669536 563385080 /nfs/dbraw/zinc/38/50/80/563385080.db2.gz BEDUJOFHGITFBG-UHFFFAOYSA-N 0 0 324.207 3.997 40 0 DHABRN COc1ccc(NC(=S)NCCC2=CCCCC2)c(OC)c1 ZINC000013817977 563390032 /nfs/dbraw/zinc/39/00/32/563390032.db2.gz RBEZPPKVDCXKDR-UHFFFAOYSA-N 0 0 320.458 3.881 40 0 DHABRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@@H]1C=C[C@H]2CC1 ZINC000013897180 563391386 /nfs/dbraw/zinc/39/13/86/563391386.db2.gz ICSOSXBQUWNACL-WAYYCVMKSA-N 0 0 322.191 3.695 40 0 DHABRN CC[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1 ZINC000014219697 563398530 /nfs/dbraw/zinc/39/85/30/563398530.db2.gz NYZYEKLQRGWIOG-QGZVFWFLSA-N 0 0 303.427 3.566 40 0 DHABRN Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(F)cc2)c1 ZINC000014573462 563401060 /nfs/dbraw/zinc/40/10/60/563401060.db2.gz LLMXEMWCOIOXFB-AWEZNQCLSA-N 0 0 301.361 3.699 40 0 DHABRN CCOc1ccc(NC(=O)COc2cccc3cccnc32)cc1 ZINC000014737480 563403104 /nfs/dbraw/zinc/40/31/04/563403104.db2.gz GWFIYPDDLSSAOP-UHFFFAOYSA-N 0 0 322.364 3.651 40 0 DHABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000015357574 563409653 /nfs/dbraw/zinc/40/96/53/563409653.db2.gz KTCTVISGQDHIGS-CQSZACIVSA-N 0 0 301.361 3.526 40 0 DHABRN CC(C)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020455386 563416858 /nfs/dbraw/zinc/41/68/58/563416858.db2.gz CDFMHPWETTYUQW-UHFFFAOYSA-N 0 0 308.425 3.778 40 0 DHABRN COCc1cccc(NC(=O)CSCc2ccccc2)c1 ZINC000026031802 563424137 /nfs/dbraw/zinc/42/41/37/563424137.db2.gz ZLXBMOKGWWWKIY-UHFFFAOYSA-N 0 0 301.411 3.705 40 0 DHABRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(F)cc1 ZINC000026502158 563426043 /nfs/dbraw/zinc/42/60/43/563426043.db2.gz JUGYTNOWLAPCFP-VXGBXAGGSA-N 0 0 305.324 3.610 40 0 DHABRN CC(C)(C)SCCNC(=O)CSCc1ccc(F)cc1 ZINC000030758620 563438307 /nfs/dbraw/zinc/43/83/07/563438307.db2.gz ATIWORWKQFJRPR-UHFFFAOYSA-N 0 0 315.479 3.707 40 0 DHABRN CN(C(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000030953280 563440034 /nfs/dbraw/zinc/44/00/34/563440034.db2.gz CLIVCSBIGDJSNJ-UHFFFAOYSA-N 0 0 309.287 3.747 40 0 DHABRN C[C@H](Sc1ccccc1)C(=O)NCCc1ccc(F)cc1 ZINC000031866530 563441212 /nfs/dbraw/zinc/44/12/12/563441212.db2.gz DIEAQFNAFJRREF-ZDUSSCGKSA-N 0 0 303.402 3.665 40 0 DHABRN Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)c(C)c1 ZINC000036635512 563456447 /nfs/dbraw/zinc/45/64/47/563456447.db2.gz GIIPNRHPTPSWRA-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)c1 ZINC000036635472 563456687 /nfs/dbraw/zinc/45/66/87/563456687.db2.gz RLLMRWHJCSNANJ-MRXNPFEDSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1nn(-c2ccccc2)cc1-c1ccnc(N2CCCCC2)n1 ZINC000040385453 563460609 /nfs/dbraw/zinc/46/06/09/563460609.db2.gz QFSFVVCZDKUYPU-UHFFFAOYSA-N 0 0 319.412 3.628 40 0 DHABRN COc1ccc(CN(C)C(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000044818698 563462340 /nfs/dbraw/zinc/46/23/40/563462340.db2.gz LSEAFBQDLNPZGQ-UHFFFAOYSA-N 0 0 313.397 3.755 40 0 DHABRN COc1ccc(CN(C)C(=O)CCSc2ccccc2)cc1 ZINC000044818935 563462392 /nfs/dbraw/zinc/46/23/92/563462392.db2.gz DTYPKBQDMFLZPE-UHFFFAOYSA-N 0 0 315.438 3.836 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000044848780 563462997 /nfs/dbraw/zinc/46/29/97/563462997.db2.gz LOYOFANNNWETAC-FZKQIMNGSA-N 0 0 313.372 3.961 40 0 DHABRN COc1ccc([C@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000044900208 563463771 /nfs/dbraw/zinc/46/37/71/563463771.db2.gz MBKKYIXQKHAPOH-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN Cc1ccc(C)c(CC(=O)NCCSCc2ccccc2)c1 ZINC000044902995 563463873 /nfs/dbraw/zinc/46/38/73/563463873.db2.gz SEKVQZSGLCDNHI-UHFFFAOYSA-N 0 0 313.466 3.896 40 0 DHABRN COc1cccc(NC(=O)NCc2ccc(OC(C)C)cc2)c1 ZINC000045311648 563464831 /nfs/dbraw/zinc/46/48/31/563464831.db2.gz KSWPYVVKQAUPCZ-UHFFFAOYSA-N 0 0 314.385 3.804 40 0 DHABRN O=C(CCSc1nc2ccccc2s1)Nc1nccs1 ZINC000048708618 563466767 /nfs/dbraw/zinc/46/67/67/563466767.db2.gz CWQOSIMWUMSARB-UHFFFAOYSA-N 0 0 321.452 3.874 40 0 DHABRN COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1F ZINC000049226386 563467359 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CCNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C2CC2)n1 ZINC000329037525 563833749 /nfs/dbraw/zinc/83/37/49/563833749.db2.gz ROCLQXWOPQZMPV-ZDUSSCGKSA-N 0 0 308.429 3.737 40 0 DHABRN CC[C@@H](C)Nc1nccc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329068677 563834704 /nfs/dbraw/zinc/83/47/04/563834704.db2.gz YRXHLRXMQKPBST-CQSZACIVSA-N 0 0 310.445 3.985 40 0 DHABRN CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cccc(F)c1C2 ZINC000098214142 563840084 /nfs/dbraw/zinc/84/00/84/563840084.db2.gz IFDCDADUHVBANY-UHFFFAOYSA-N 0 0 320.408 3.811 40 0 DHABRN OCc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216796042 563852204 /nfs/dbraw/zinc/85/22/04/563852204.db2.gz XOAGPJFFVQIIML-UHFFFAOYSA-N 0 0 304.143 3.750 40 0 DHABRN Cc1cccc(N(Cc2ccccc2Cl)S(C)(=O)=O)c1C ZINC000000582130 563854603 /nfs/dbraw/zinc/85/46/03/563854603.db2.gz AUURDHJPSDKCMC-UHFFFAOYSA-N 0 0 323.845 3.923 40 0 DHABRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000001960543 563854814 /nfs/dbraw/zinc/85/48/14/563854814.db2.gz VURCSNHDLGSCHS-UHFFFAOYSA-N 0 0 317.772 3.752 40 0 DHABRN 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203000889 /nfs/dbraw/zinc/00/08/89/203000889.db2.gz NDXKIPLCCATBOU-HHMSRWFOSA-N 0 0 307.478 3.769 40 0 DHABRN O=C(CCc1cccs1)N1CCC[C@@H]1CCc1ccncc1 ZINC000257295060 203021333 /nfs/dbraw/zinc/02/13/33/203021333.db2.gz QWUZWGBBQIFJBF-MRXNPFEDSA-N 0 0 314.454 3.700 40 0 DHABRN Cc1c[nH]c([C@H]2CCCN2C(=O)c2oc3ccccc3c2C)n1 ZINC000257300737 203024806 /nfs/dbraw/zinc/02/48/06/203024806.db2.gz RVMTYOYUPUSYOP-CQSZACIVSA-N 0 0 309.369 3.750 40 0 DHABRN Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1 ZINC000257287615 203014321 /nfs/dbraw/zinc/01/43/21/203014321.db2.gz PQSKNBMMGICVSO-MRXNPFEDSA-N 0 0 323.396 3.760 40 0 DHABRN Fc1cccc(Cc2cnc([C@@H]3CCCN3c3ccncn3)o2)c1 ZINC000257311643 203037228 /nfs/dbraw/zinc/03/72/28/203037228.db2.gz UKKXWEASYLUKIK-INIZCTEOSA-N 0 0 324.359 3.536 40 0 DHABRN CC(=O)N[C@@]1(C)C[C@H](c2ccccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257315263 203037825 /nfs/dbraw/zinc/03/78/25/203037825.db2.gz VAODEMNOKNWWIO-RWULDMNWSA-N 0 0 317.429 3.553 40 0 DHABRN Fc1ccccc1Cc1cnc([C@@H]2CCCN2c2ccncn2)o1 ZINC000257319726 203042227 /nfs/dbraw/zinc/04/22/27/203042227.db2.gz VTUZWQBQDSLVHS-INIZCTEOSA-N 0 0 324.359 3.536 40 0 DHABRN Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC000257336677 203057734 /nfs/dbraw/zinc/05/77/34/203057734.db2.gz YPNPFJCWULVWOL-INIZCTEOSA-N 0 0 315.392 3.544 40 0 DHABRN O=C(c1cc2ccccc2s1)N1CCO[C@@H](c2ccncc2)C1 ZINC000257325255 203049804 /nfs/dbraw/zinc/04/98/04/203049804.db2.gz WSCTYJKVRDOQFS-OAHLLOKOSA-N 0 0 324.405 3.510 40 0 DHABRN Cc1cc2cc(C(=O)N3CCC[C@H]3c3ccnc(C)n3)ccc2o1 ZINC000257343952 203066684 /nfs/dbraw/zinc/06/66/84/203066684.db2.gz ZVBYGQYLTPLUAF-KRWDZBQOSA-N 0 0 321.380 3.817 40 0 DHABRN CN(Cc1cccs1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000007216730 181446920 /nfs/dbraw/zinc/44/69/20/181446920.db2.gz XKPYAXOFZSBOCG-UHFFFAOYSA-N 0 0 317.435 3.722 40 0 DHABRN O=C(Cc1cccc(F)c1)NCc1ccc(Cl)cc1Cl ZINC000007264599 181451056 /nfs/dbraw/zinc/45/10/56/181451056.db2.gz OMRSPYDUVAYIAX-UHFFFAOYSA-N 0 0 312.171 3.991 40 0 DHABRN Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)cc1C ZINC000095915148 193449464 /nfs/dbraw/zinc/44/94/64/193449464.db2.gz CURBTCZGGRXNBY-GOSISDBHSA-N 0 0 322.408 3.664 40 0 DHABRN CCO[C@H]1CC2(CCN(C(=O)C(C)C)CC2)c2cc(F)ccc21 ZINC000096241677 193595976 /nfs/dbraw/zinc/59/59/76/193595976.db2.gz MZAAEIJFMYMOSG-KRWDZBQOSA-N 0 0 319.420 3.823 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1F ZINC000008041374 181522116 /nfs/dbraw/zinc/52/21/16/181522116.db2.gz NAVRUZBQWGTVAT-CQSZACIVSA-N 0 0 309.287 3.900 40 0 DHABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 ZINC000008060150 181523126 /nfs/dbraw/zinc/52/31/26/181523126.db2.gz MJHFSDJKFWJYNK-UHFFFAOYSA-N 0 0 309.365 3.589 40 0 DHABRN O=C(CCc1cc(Cl)no1)NC1(c2ccccc2)CCCC1 ZINC000012143052 181731899 /nfs/dbraw/zinc/73/18/99/181731899.db2.gz OTVCLKWHZCCJQL-UHFFFAOYSA-N 0 0 318.804 3.846 40 0 DHABRN COc1ccccc1/N=c1\scc(C)n1Cc1ccccn1 ZINC000012826988 181802904 /nfs/dbraw/zinc/80/29/04/181802904.db2.gz PSEQUTLQWYVHNS-ZPHPHTNESA-N 0 0 311.410 3.542 40 0 DHABRN CCC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@H]2[C@H]1c1ccco1 ZINC000013752246 181889931 /nfs/dbraw/zinc/88/99/31/181889931.db2.gz OFOXTMOYXZXIJT-IGNZVWTISA-N 0 0 315.344 3.994 40 0 DHABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000014022517 181921004 /nfs/dbraw/zinc/92/10/04/181921004.db2.gz UKEVXDJGUKGYDM-SFHVURJKSA-N 0 0 311.381 3.994 40 0 DHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000014396324 181950372 /nfs/dbraw/zinc/95/03/72/181950372.db2.gz PHBSERFVWOLHRD-KDOFPFPSSA-N 0 0 313.397 3.730 40 0 DHABRN Cc1ccc(C)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000015269733 181993885 /nfs/dbraw/zinc/99/38/85/181993885.db2.gz CJFNJGQUTDGKGL-UHFFFAOYSA-N 0 0 308.381 3.683 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C)cc1C ZINC000015471484 182004252 /nfs/dbraw/zinc/00/42/52/182004252.db2.gz KEVLGHYZAYIWCJ-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN CCCCCOc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000015931384 182025335 /nfs/dbraw/zinc/02/53/35/182025335.db2.gz LWPLWZAYWWMXFB-IAGOWNOFSA-N 0 0 313.397 3.711 40 0 DHABRN C=C(c1ccc(N2CCOCC2)s1)c1ccc(OC)cc1 ZINC000016216078 182037061 /nfs/dbraw/zinc/03/70/61/182037061.db2.gz QPGBMQPREDLRBL-UHFFFAOYSA-N 0 0 301.411 3.655 40 0 DHABRN CC(=O)N(Cc1nc2ccccc2nc1C)c1ccc(C)cc1 ZINC000016292591 182039559 /nfs/dbraw/zinc/03/95/59/182039559.db2.gz QQOUHNPWSSOXOH-UHFFFAOYSA-N 0 0 305.381 3.800 40 0 DHABRN Clc1cc(Cl)cc(CNc2nnc3n2CCCCC3)c1 ZINC000016769839 182059804 /nfs/dbraw/zinc/05/98/04/182059804.db2.gz DNUHRQHCMQNZRL-UHFFFAOYSA-N 0 0 311.216 3.923 40 0 DHABRN COc1c(Br)cc2c(c1Br)CCCO2 ZINC000016756666 182060132 /nfs/dbraw/zinc/06/01/32/182060132.db2.gz HPNWTMXAPRXVGE-UHFFFAOYSA-N 0 0 321.996 3.545 40 0 DHABRN Cc1ccc(C[C@@](C)(O)C[C@@](C)(O)Cc2ccc(C)cc2)cc1 ZINC000016954190 182065719 /nfs/dbraw/zinc/06/57/19/182065719.db2.gz FLVGBGPUWNPAGH-OYRHEFFESA-N 0 0 312.453 3.981 40 0 DHABRN O=C(c1ccc2ccccc2n1)[C@@H](O)c1ccc2ccccc2n1 ZINC000017299677 182081713 /nfs/dbraw/zinc/08/17/13/182081713.db2.gz 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ZINC000020029702 182181540 /nfs/dbraw/zinc/18/15/40/182181540.db2.gz JUQRHJGVBHXFAR-CQSZACIVSA-N 0 0 305.299 3.911 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)NCc2ccccc2C)cc1 ZINC000020039316 182183039 /nfs/dbraw/zinc/18/30/39/182183039.db2.gz CVTZYNRZRSCEKM-CQSZACIVSA-N 0 0 315.438 3.801 40 0 DHABRN CC[C@@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020110245 182187557 /nfs/dbraw/zinc/18/75/57/182187557.db2.gz DYSFXWNLTNZXAF-CYBMUJFWSA-N 0 0 305.399 3.556 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000020110294 182187860 /nfs/dbraw/zinc/18/78/60/182187860.db2.gz FBXJFNHEPZRHMX-KRWDZBQOSA-N 0 0 303.427 3.566 40 0 DHABRN Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1N ZINC000020195030 182196048 /nfs/dbraw/zinc/19/60/48/182196048.db2.gz SKBASAYYSOZYME-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CCCCC(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 ZINC000020411775 182214725 /nfs/dbraw/zinc/21/47/25/182214725.db2.gz IEXHFKYDHDTMTK-UHFFFAOYSA-N 0 0 320.414 3.990 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000020485616 182223056 /nfs/dbraw/zinc/22/30/56/182223056.db2.gz MIMTZFYZZJANBE-UONOGXRCSA-N 0 0 301.361 3.779 40 0 DHABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(F)cc1 ZINC000020482975 182223303 /nfs/dbraw/zinc/22/33/03/182223303.db2.gz VQHXEAQDOBAXAQ-GOSISDBHSA-N 0 0 315.388 3.916 40 0 DHABRN COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000020447817 182218149 /nfs/dbraw/zinc/21/81/49/182218149.db2.gz WOZDZHGGJDAQKV-UHFFFAOYSA-N 0 0 319.788 3.847 40 0 DHABRN Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)c(C)c1 ZINC000020461423 182220944 /nfs/dbraw/zinc/22/09/44/182220944.db2.gz LWVBPDJNYGGLBT-AWEZNQCLSA-N 0 0 321.417 3.623 40 0 DHABRN COc1ccc(CCC(=O)Nc2c(C)cccc2C)cc1OC ZINC000020914578 182253407 /nfs/dbraw/zinc/25/34/07/182253407.db2.gz GKIAAEUIVREZAQ-UHFFFAOYSA-N 0 0 313.397 3.892 40 0 DHABRN Cc1ccc(OCC(=O)Nc2ccc(N)cc2Cl)cc1C ZINC000021505668 182275920 /nfs/dbraw/zinc/27/59/20/182275920.db2.gz UGHMZXAMNGXDRN-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000021836472 182293941 /nfs/dbraw/zinc/29/39/41/182293941.db2.gz WTFMPWJUDAXNIX-KRWDZBQOSA-N 0 0 301.361 3.644 40 0 DHABRN CC(C)(C)c1ccc(OCCNC(=O)c2cccs2)cc1 ZINC000021904197 182297736 /nfs/dbraw/zinc/29/77/36/182297736.db2.gz ZKQQTLMBHVKHMJ-UHFFFAOYSA-N 0 0 303.427 3.854 40 0 DHABRN Nc1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000022073618 182307907 /nfs/dbraw/zinc/30/79/07/182307907.db2.gz SYHUJFZETSNGBC-UHFFFAOYSA-N 0 0 314.344 3.736 40 0 DHABRN OCCSc1ccc(Br)c(Cl)c1Cl ZINC000022124725 182309358 /nfs/dbraw/zinc/30/93/58/182309358.db2.gz FGQQEXBQWQYMPG-UHFFFAOYSA-N 0 0 302.020 3.840 40 0 DHABRN CCc1ccc(NC(=O)CC(=O)Nc2ccc(CC)cc2)cc1 ZINC000026330390 182437819 /nfs/dbraw/zinc/43/78/19/182437819.db2.gz LIIFXKMPXHAQGM-UHFFFAOYSA-N 0 0 310.397 3.779 40 0 DHABRN Cc1cccc(N(CC(=O)c2ccccc2)C2=NCCS2)c1 ZINC000026506124 182444259 /nfs/dbraw/zinc/44/42/59/182444259.db2.gz URAHMQPWTLSSRI-UHFFFAOYSA-N 0 0 310.422 3.787 40 0 DHABRN Cc1ccsc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000027920593 182497947 /nfs/dbraw/zinc/49/79/47/182497947.db2.gz WCBAVUQTYWJALM-UHFFFAOYSA-N 0 0 315.373 3.693 40 0 DHABRN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1ccccn1 ZINC000027922040 182497960 /nfs/dbraw/zinc/49/79/60/182497960.db2.gz CBUGHGWLNPRMNP-UHFFFAOYSA-N 0 0 320.396 3.504 40 0 DHABRN CC(=O)c1cccc(NC(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000027917731 182498122 /nfs/dbraw/zinc/49/81/22/182498122.db2.gz KPUPQLFOCKNQEC-UHFFFAOYSA-N 0 0 320.352 3.719 40 0 DHABRN CC[C@@H](NC(=O)c1nn(CC)cc1Cl)c1ccc(C)cc1 ZINC000028237683 182515173 /nfs/dbraw/zinc/51/51/73/182515173.db2.gz FJFFNODTDZUECO-CQSZACIVSA-N 0 0 305.809 3.746 40 0 DHABRN COc1ccc(CNC(=O)CCc2ccccc2Cl)cc1 ZINC000029699429 182574272 /nfs/dbraw/zinc/57/42/72/182574272.db2.gz LUEARNBLSYRGQZ-UHFFFAOYSA-N 0 0 303.789 3.598 40 0 DHABRN CN(C1CCCCC1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000030756891 182597432 /nfs/dbraw/zinc/59/74/32/182597432.db2.gz LIKBRDKBPSLVLU-UHFFFAOYSA-N 0 0 319.829 3.573 40 0 DHABRN C[C@@H](Sc1ccccc1)C(=O)NCCc1ccc(F)cc1 ZINC000031866529 182626738 /nfs/dbraw/zinc/62/67/38/182626738.db2.gz DIEAQFNAFJRREF-CYBMUJFWSA-N 0 0 303.402 3.665 40 0 DHABRN CCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2CC)C1=O ZINC000101275684 193809640 /nfs/dbraw/zinc/80/96/40/193809640.db2.gz YVDASEFPMJRFFF-KRWDZBQOSA-N 0 0 322.408 3.555 40 0 DHABRN CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O ZINC000036635428 182832322 /nfs/dbraw/zinc/83/23/22/182832322.db2.gz ZBZQXIYMYAOFMR-KRWDZBQOSA-N 0 0 322.408 3.610 40 0 DHABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 ZINC000038754424 183008486 /nfs/dbraw/zinc/00/84/86/183008486.db2.gz PLJZQGZFFYHFCR-INIZCTEOSA-N 0 0 321.779 3.953 40 0 DHABRN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 ZINC000038772669 183008996 /nfs/dbraw/zinc/00/89/96/183008996.db2.gz NFJGYOXEMHLYQU-AWEZNQCLSA-N 0 0 313.397 3.812 40 0 DHABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1ccccc1 ZINC000038772979 183009062 /nfs/dbraw/zinc/00/90/62/183009062.db2.gz CVXHRVSURKFPOD-LJQANCHMSA-N 0 0 311.425 3.901 40 0 DHABRN Clc1cc(Cl)c(Br)nc1Br ZINC000039192910 183015131 /nfs/dbraw/zinc/01/51/31/183015131.db2.gz NZKNZMNTPXCGHG-UHFFFAOYSA-N 0 0 305.784 3.913 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](COc2cccc(F)c2F)C1 ZINC000039954453 183024435 /nfs/dbraw/zinc/02/44/35/183024435.db2.gz BNMNZGZQOOSATR-LLVKDONJSA-N 0 0 313.344 3.601 40 0 DHABRN COc1ccc(OC)c([C@H](O)c2ccc(Br)cc2)c1 ZINC000040244672 183049331 /nfs/dbraw/zinc/04/93/31/183049331.db2.gz OGGSKGYYVONKEJ-OAHLLOKOSA-N 0 0 323.186 3.548 40 0 DHABRN CC(C)Cc1nnc(NC(=O)c2cc3sccc3n2C)s1 ZINC000040805798 183136200 /nfs/dbraw/zinc/13/62/00/183136200.db2.gz WEKPXFHSXQZWCG-UHFFFAOYSA-N 0 0 320.443 3.542 40 0 DHABRN CCCC[C@H](CC)CNC(=O)CCc1ccc(OC)c(OC)c1 ZINC000040994837 183155388 /nfs/dbraw/zinc/15/53/88/183155388.db2.gz HNVRJWGZFDKOHL-HNNXBMFYSA-N 0 0 321.461 3.969 40 0 DHABRN COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)c(OC)c1 ZINC000049750474 183757919 /nfs/dbraw/zinc/75/79/19/183757919.db2.gz KBPJGHJTHCIBRC-UHFFFAOYSA-N 0 0 313.397 3.911 40 0 DHABRN CCc1cc(Br)cc(C)c1I ZINC000057326490 184033231 /nfs/dbraw/zinc/03/32/31/184033231.db2.gz SJDYYWNPSIBLGD-UHFFFAOYSA-N 0 0 324.987 3.925 40 0 DHABRN COc1ccc([C@H](C)NC(=O)COc2cccc(C)c2C)cc1 ZINC000059351905 184137303 /nfs/dbraw/zinc/13/73/03/184137303.db2.gz DCACWLPBHVHIMO-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000062170278 184209818 /nfs/dbraw/zinc/20/98/18/184209818.db2.gz QQCSOFFITCMUCV-UHFFFAOYSA-N 0 0 300.354 3.759 40 0 DHABRN O=C(NCCOc1ccccc1Cl)c1ccccc1Cl ZINC000159300538 197344138 /nfs/dbraw/zinc/34/41/38/197344138.db2.gz APHCBDZYMBAOAD-UHFFFAOYSA-N 0 0 310.180 3.802 40 0 DHABRN CC(=O)c1ccccc1OC(=O)c1cccc(Br)c1 ZINC000113703805 194608982 /nfs/dbraw/zinc/60/89/82/194608982.db2.gz FCJFMWDYAIVJIL-UHFFFAOYSA-N 0 0 319.154 3.871 40 0 DHABRN C[C@@H](CCc1ccccc1)NC(=O)CCCOc1ccccc1 ZINC000014396291 256526406 /nfs/dbraw/zinc/52/64/06/256526406.db2.gz JLUKYVUODIRDLB-KRWDZBQOSA-N 0 0 311.425 3.983 40 0 DHABRN CSc1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000071761301 256543115 /nfs/dbraw/zinc/54/31/15/256543115.db2.gz CWHZAVONGZRBPJ-UHFFFAOYSA-N 0 0 318.423 3.946 40 0 DHABRN C[C@@H]1CC[C@H]1COc1ccccc1I ZINC000242701697 257120312 /nfs/dbraw/zinc/12/03/12/257120312.db2.gz WKLKLZKYRQIHCQ-ZJUUUORDSA-N 0 0 302.155 3.716 40 0 DHABRN Cc1cccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227448 257122696 /nfs/dbraw/zinc/12/26/96/257122696.db2.gz MEWOSRODEJHKIA-HUUCEWRRSA-N 0 0 321.207 3.717 40 0 DHABRN O[C@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 ZINC000072225769 257123355 /nfs/dbraw/zinc/12/33/55/257123355.db2.gz ICCBLOPQFMVVEV-OAQYLSRUSA-N 0 0 316.404 3.726 40 0 DHABRN CN(c1ccccc1)c1ccc(CNC(=O)OC(C)(C)C)cn1 ZINC000072225319 257123707 /nfs/dbraw/zinc/12/37/07/257123707.db2.gz BWFQOAUMAASSHN-UHFFFAOYSA-N 0 0 313.401 3.874 40 0 DHABRN COc1cccc(OC)c1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072221417 257124341 /nfs/dbraw/zinc/12/43/41/257124341.db2.gz ICHLGFKAPWMABS-GFCCVEGCSA-N 0 0 307.390 3.776 40 0 DHABRN CC(C)(C)OC(=O)NCCCC(=O)c1ccc2ncccc2c1 ZINC000072221773 257124381 /nfs/dbraw/zinc/12/43/81/257124381.db2.gz JTYZQAOXZWCZKR-UHFFFAOYSA-N 0 0 314.385 3.722 40 0 DHABRN CSc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000072216921 257124951 /nfs/dbraw/zinc/12/49/51/257124951.db2.gz MQXSWGNXMHMIGE-UHFFFAOYSA-N 0 0 324.446 3.681 40 0 DHABRN COc1cc(C)c([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072218052 257125274 /nfs/dbraw/zinc/12/52/74/257125274.db2.gz SQJNGQNDSOABKT-KRWDZBQOSA-N 0 0 310.397 3.766 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214353 257125884 /nfs/dbraw/zinc/12/58/84/257125884.db2.gz RAQRUUFGSGALCL-AWEZNQCLSA-N 0 0 319.405 3.502 40 0 DHABRN CN(C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212685 257127210 /nfs/dbraw/zinc/12/72/10/257127210.db2.gz VBMZHBURMXNOFS-AWEZNQCLSA-N 0 0 305.422 3.610 40 0 DHABRN CCN(CC)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072212834 257127213 /nfs/dbraw/zinc/12/72/13/257127213.db2.gz UMUKMRYXDNLCJZ-OAHLLOKOSA-N 0 0 319.449 4.000 40 0 DHABRN CC(C)Oc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072211956 257127328 /nfs/dbraw/zinc/12/73/28/257127328.db2.gz GDWDXIFUAMUAMW-AWEZNQCLSA-N 0 0 306.406 3.941 40 0 DHABRN CCOc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072211876 257127581 /nfs/dbraw/zinc/12/75/81/257127581.db2.gz KXXVOEMUMSCGLI-QGZVFWFLSA-N 0 0 310.397 3.848 40 0 DHABRN COc1ccc(C)cc1NC(=O)CSCc1ccccc1 ZINC000003601967 257219190 /nfs/dbraw/zinc/21/91/90/257219190.db2.gz PSWXPLFWKWWXSP-UHFFFAOYSA-N 0 0 301.411 3.876 40 0 DHABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1Cl ZINC000001972438 257219424 /nfs/dbraw/zinc/21/94/24/257219424.db2.gz DPYSPAHOVYQEEW-UHFFFAOYSA-N 0 0 317.772 3.752 40 0 DHABRN CCCN1C(=O)S/C(=C/c2ccc(OC(C)C)cc2)C1=O ZINC000409252426 257220006 /nfs/dbraw/zinc/22/00/06/257220006.db2.gz RULSJOYCMHCOCS-GXDHUFHOSA-N 0 0 305.399 3.920 40 0 DHABRN Cc1c(F)cccc1NC(=O)COC(=O)c1ccccc1Cl ZINC000409195414 257221047 /nfs/dbraw/zinc/22/10/47/257221047.db2.gz PSPDAAUGJPIXSF-UHFFFAOYSA-N 0 0 321.735 3.583 40 0 DHABRN CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C ZINC000409184290 257221265 /nfs/dbraw/zinc/22/12/65/257221265.db2.gz WUQCJMNXUQDKFF-UHFFFAOYSA-N 0 0 314.410 3.684 40 0 DHABRN Cc1nc2cc(NC(=O)Nc3ccc(N(C)C)cc3)ccc2o1 ZINC000409135341 257222055 /nfs/dbraw/zinc/22/20/55/257222055.db2.gz YMPBJOGUFFUYGG-UHFFFAOYSA-N 0 0 310.357 3.846 40 0 DHABRN O=C1NC(=CC=Cc2ccco2)C(=O)N1c1cccc(Cl)c1 ZINC000409066712 257223343 /nfs/dbraw/zinc/22/33/43/257223343.db2.gz PJDAZOSIWDJRBL-BOAPOFAJSA-N 0 0 314.728 3.587 40 0 DHABRN CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(OC)c2)C1=O ZINC000409064093 257223603 /nfs/dbraw/zinc/22/36/03/257223603.db2.gz GDJBOHOEDQCDQC-NTEUORMPSA-N 0 0 321.398 3.539 40 0 DHABRN CCCc1sc(NC(C)=O)nc1-c1cc(OC)ccc1OC ZINC000408825078 257226607 /nfs/dbraw/zinc/22/66/07/257226607.db2.gz ACIXFELRSUHDOO-UHFFFAOYSA-N 0 0 320.414 3.738 40 0 DHABRN Cc1ccc(S(=O)(=O)/N=c2/ssc3ccccc32)cc1 ZINC000408732789 257227491 /nfs/dbraw/zinc/22/74/91/257227491.db2.gz ZAJNEXGWXBAIGE-CCEZHUSRSA-N 0 0 321.448 3.561 40 0 DHABRN CCn1cc(C(=O)Nc2ccccc2F)c(=O)c2cc(C)ccc21 ZINC000408712923 257228139 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3.605 40 0 DHABRN COc1ccccc1C(=O)N(C)c1ccc(N2CCCC2)cc1 ZINC000013673013 563385336 /nfs/dbraw/zinc/38/53/36/563385336.db2.gz VRYHWHNEUUCTRM-UHFFFAOYSA-N 0 0 310.397 3.572 40 0 DHABRN O=C(NCc1ccccn1)c1ccccc1OCc1ccccc1 ZINC000013687064 563385487 /nfs/dbraw/zinc/38/54/87/563385487.db2.gz PJMXSXJUOCMURB-UHFFFAOYSA-N 0 0 318.376 3.591 40 0 DHABRN COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000013709624 563386872 /nfs/dbraw/zinc/38/68/72/563386872.db2.gz QQBLMMCOWWXYPW-NSHDSACASA-N 0 0 305.761 3.755 40 0 DHABRN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC ZINC000013783395 563389586 /nfs/dbraw/zinc/38/95/86/563389586.db2.gz WWYNJERNGUHSAO-ZUHHCLADSA-N 0 0 312.453 3.883 40 0 in-man DHABRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000014219317 563398469 /nfs/dbraw/zinc/39/84/69/563398469.db2.gz MUZCGCRPJTWFHK-OAHLLOKOSA-N 0 0 303.427 3.651 40 0 DHABRN COc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000014796972 563403045 /nfs/dbraw/zinc/40/30/45/563403045.db2.gz UGSPUIQZMIPZFG-UHFFFAOYSA-N 0 0 311.381 3.835 40 0 DHABRN CN1c2ccccc2[C@@H](Cc2ccccc2Br)C1=O ZINC000015018291 563406252 /nfs/dbraw/zinc/40/62/52/563406252.db2.gz VSNHIMIKZQGSRG-CYBMUJFWSA-N 0 0 316.198 3.752 40 0 DHABRN Cc1cc2nc(NC(=O)c3cc(F)cc(F)c3)[nH]c2cc1C ZINC000016284163 563412187 /nfs/dbraw/zinc/41/21/87/563412187.db2.gz LKIRIFMPJRXDII-UHFFFAOYSA-N 0 0 301.296 3.710 40 0 DHABRN O=C(NCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1 ZINC000027692730 563429345 /nfs/dbraw/zinc/42/93/45/563429345.db2.gz ICSNGSNTZFATHC-UHFFFAOYSA-N 0 0 314.694 3.684 40 0 DHABRN CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000028464205 563432415 /nfs/dbraw/zinc/43/24/15/563432415.db2.gz RRLXNGJNWPIHON-UHFFFAOYSA-N 0 0 303.427 3.827 40 0 DHABRN COCc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000029145236 563433520 /nfs/dbraw/zinc/43/35/20/563433520.db2.gz CRHTYWQXBFQECY-UHFFFAOYSA-N 0 0 319.788 3.812 40 0 DHABRN COc1ccc(CCNC(=O)CCc2ccccc2Cl)cc1 ZINC000029697396 563435497 /nfs/dbraw/zinc/43/54/97/563435497.db2.gz FNKDJXOHVNCKGH-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000030751424 563438069 /nfs/dbraw/zinc/43/80/69/563438069.db2.gz GNNDYRQFKWXLCN-MAUKXSAKSA-N 0 0 309.409 3.956 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000030750875 563438258 /nfs/dbraw/zinc/43/82/58/563438258.db2.gz JJAGONBALIMJAH-KBPBESRZSA-N 0 0 301.361 3.779 40 0 DHABRN COC(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1Cl ZINC000031055011 563439979 /nfs/dbraw/zinc/43/99/79/563439979.db2.gz GPWXTKAKZXEKOB-UHFFFAOYSA-N 0 0 317.772 3.996 40 0 DHABRN COc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1F ZINC000031775317 563440348 /nfs/dbraw/zinc/44/03/48/563440348.db2.gz WSHJSGZOMOIRED-UHFFFAOYSA-N 0 0 303.333 3.874 40 0 DHABRN CC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 ZINC000032652576 563443056 /nfs/dbraw/zinc/44/30/56/563443056.db2.gz NEDSJGRHWQDGJH-UHFFFAOYSA-N 0 0 323.392 3.576 40 0 DHABRN O=Cc1cccc(OCc2ccc(Br)cc2F)c1 ZINC000035082326 563451945 /nfs/dbraw/zinc/45/19/45/563451945.db2.gz CBRBADJDYCMRLI-UHFFFAOYSA-N 0 0 309.134 3.980 40 0 DHABRN Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000036635401 563456334 /nfs/dbraw/zinc/45/63/34/563456334.db2.gz IJKYCFNCNNVVQX-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c(C)c1 ZINC000036635400 563456508 /nfs/dbraw/zinc/45/65/08/563456508.db2.gz GOJUNXJPDZWFSX-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccc(C)c(C)c3)C2=O)c1 ZINC000036635473 563456538 /nfs/dbraw/zinc/45/65/38/563456538.db2.gz XSNNRSZZQNCWDV-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN CCc1ccc([C@H](C)NC(=O)c2cccc(OC)c2OC)cc1 ZINC000036623410 563456548 /nfs/dbraw/zinc/45/65/48/563456548.db2.gz QIXVNTFHWPRFLR-ZDUSSCGKSA-N 0 0 313.397 3.757 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000044848769 563462991 /nfs/dbraw/zinc/46/29/91/563462991.db2.gz LOYOFANNNWETAC-UGSOOPFHSA-N 0 0 313.372 3.961 40 0 DHABRN Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)c(C)c1 ZINC000044899767 563463800 /nfs/dbraw/zinc/46/38/00/563463800.db2.gz TYJQPBMFPIOCIJ-INIZCTEOSA-N 0 0 317.454 3.792 40 0 DHABRN CC(C)Oc1cccc(CNC(=O)Cc2ccccc2Cl)c1 ZINC000046655478 563465421 /nfs/dbraw/zinc/46/54/21/563465421.db2.gz ZXMHMRRXGAHSCN-UHFFFAOYSA-N 0 0 317.816 3.986 40 0 DHABRN C[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(F)cc1 ZINC000049930137 563468397 /nfs/dbraw/zinc/46/83/97/563468397.db2.gz AAWPBCPCDUUWEY-CQSZACIVSA-N 0 0 301.361 3.862 40 0 DHABRN COc1ccc(CN(C)C(=O)CCc2ccc(Cl)cc2)cc1 ZINC000053665033 563469901 /nfs/dbraw/zinc/46/99/01/563469901.db2.gz GVCONGICQOIRBX-UHFFFAOYSA-N 0 0 317.816 3.940 40 0 DHABRN CCS(=O)(=O)c1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000096510069 563486040 /nfs/dbraw/zinc/48/60/40/563486040.db2.gz ZAIUGVBCXQEGPZ-UHFFFAOYSA-N 0 0 312.394 3.537 40 0 DHABRN Nc1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000067799204 563491189 /nfs/dbraw/zinc/49/11/89/563491189.db2.gz XPAQWNNKYCBONT-UHFFFAOYSA-N 0 0 309.213 3.551 40 0 DHABRN COc1ccc(CN(C)C(=O)Cc2cccc(Cl)c2)cc1 ZINC000067791127 563491334 /nfs/dbraw/zinc/49/13/34/563491334.db2.gz XBEOVQNGGAAGAG-UHFFFAOYSA-N 0 0 303.789 3.550 40 0 DHABRN CCOc1ccccc1NC(=O)c1c(C)nc2ccc(C)cn21 ZINC000071459214 563499791 /nfs/dbraw/zinc/49/97/91/563499791.db2.gz NUKSUDLOLPXFOL-UHFFFAOYSA-N 0 0 309.369 3.602 40 0 DHABRN C[C@@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000257346152 563514834 /nfs/dbraw/zinc/51/48/34/563514834.db2.gz SLGYIGUMKJYZLP-XGBHYTINSA-N 0 0 318.457 3.528 40 0 DHABRN O=C(c1cscn1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000089880082 563524899 /nfs/dbraw/zinc/52/48/99/563524899.db2.gz AWZQAJYJARDLNI-OAHLLOKOSA-N 0 0 300.427 3.771 40 0 DHABRN COC(=O)c1cc(C(C)(C)C)cc(C(=O)OC)c1C(C)(C)C ZINC000096171656 563535238 /nfs/dbraw/zinc/53/52/38/563535238.db2.gz YSSCXONQXJTCEX-UHFFFAOYSA-N 0 0 306.402 3.855 40 0 DHABRN CC(C)NC(=O)c1cc(-c2ccn(C(C)C)n2)n2ccccc12 ZINC000096266672 563536524 /nfs/dbraw/zinc/53/65/24/563536524.db2.gz FWVVGLCVTQTRKW-UHFFFAOYSA-N 0 0 310.401 3.522 40 0 DHABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C)cc2)cc1 ZINC000098069835 563544108 /nfs/dbraw/zinc/54/41/08/563544108.db2.gz DSDKLTOYZYNMPA-UHFFFAOYSA-N 0 0 319.426 3.607 40 0 DHABRN CCc1ccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)cc1 ZINC000101275758 563557067 /nfs/dbraw/zinc/55/70/67/563557067.db2.gz CDYJYXIQKCQLEC-GOSISDBHSA-N 0 0 322.408 3.610 40 0 DHABRN O=c1nc(-c2cccc(O)c2)[nH]c2sc3c(c21)CCCCC3 ZINC000046703258 563573998 /nfs/dbraw/zinc/57/39/98/563573998.db2.gz XQXAYMMIDCTMLV-UHFFFAOYSA-N 0 0 312.394 3.626 40 0 DHABRN Cc1cc(C(=O)Nc2ccc(Br)cc2C)c(C)n1C ZINC000008051839 563603678 /nfs/dbraw/zinc/60/36/78/563603678.db2.gz BJVVDYHDVLETMN-UHFFFAOYSA-N 0 0 321.218 3.965 40 0 DHABRN Cc1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000000338094 563607513 /nfs/dbraw/zinc/60/75/13/563607513.db2.gz SNLZFYCLKRYSET-UHFFFAOYSA-N 0 0 305.168 3.945 40 0 DHABRN CCN(C(=O)C1CCC1)c1nnc(-c2cccc(C)c2)s1 ZINC000001345409 563620189 /nfs/dbraw/zinc/62/01/89/563620189.db2.gz OGFFHNUBLVLBAR-UHFFFAOYSA-N 0 0 301.415 3.667 40 0 DHABRN CCCN(C(=O)C(C)C)c1nnc(-c2cccc(C)c2)s1 ZINC000001345418 563620267 /nfs/dbraw/zinc/62/02/67/563620267.db2.gz IWLGBFUKUXOJNZ-UHFFFAOYSA-N 0 0 303.431 3.913 40 0 DHABRN CCOc1ccc(NC2=NCC(=O)N2c2cc(C)ccc2C)cc1 ZINC000001360511 563620902 /nfs/dbraw/zinc/62/09/02/563620902.db2.gz QZLUMSHCKZPJDM-UHFFFAOYSA-N 0 0 323.396 3.517 40 0 DHABRN COc1ccc(N[C@H]2OC(=O)c3ccccc32)c2ncccc12 ZINC000002342870 563621654 /nfs/dbraw/zinc/62/16/54/563621654.db2.gz DRZKGKBMHXVUTL-KRWDZBQOSA-N 0 0 306.321 3.525 40 0 DHABRN CNc1nc(Nc2ccc(F)c(F)c2)cc(C(F)(F)F)n1 ZINC000161754517 563626850 /nfs/dbraw/zinc/62/68/50/563626850.db2.gz NUXBHQDSESMENA-UHFFFAOYSA-N 0 0 304.222 3.559 40 0 DHABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 ZINC000000505902 563629792 /nfs/dbraw/zinc/62/97/92/563629792.db2.gz DXJZQMRDFKPMOH-UHFFFAOYSA-N 0 0 302.374 3.569 40 0 DHABRN COC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000001903730 563634506 /nfs/dbraw/zinc/63/45/06/563634506.db2.gz LBPUKEYLGWCFFS-MDZDMXLPSA-N 0 0 315.756 3.779 40 0 DHABRN CNc1nc(Nc2ccccc2Cl)cc(C(F)(F)F)n1 ZINC000161759239 563634924 /nfs/dbraw/zinc/63/49/24/563634924.db2.gz PHJNRJKLEFUOCH-UHFFFAOYSA-N 0 0 302.687 3.934 40 0 DHABRN O=C(CSc1nc2ccccc2s1)Nc1ccccc1O ZINC000003154167 563635832 /nfs/dbraw/zinc/63/58/32/563635832.db2.gz JVCNKTSZPNWHSB-UHFFFAOYSA-N 0 0 316.407 3.733 40 0 DHABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000008479064 563642845 /nfs/dbraw/zinc/64/28/45/563642845.db2.gz UKULIZUOOCQAGM-MRXNPFEDSA-N 0 0 303.789 3.814 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(OC)c1 ZINC000008492995 563642997 /nfs/dbraw/zinc/64/29/97/563642997.db2.gz KDZQMMVHJXSKAJ-HNNXBMFYSA-N 0 0 303.333 3.630 40 0 DHABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1C ZINC000008571534 563643666 /nfs/dbraw/zinc/64/36/66/563643666.db2.gz AMRGDCOSOOXTEM-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1c(Cl)cccc1-c1ccc(CNn2cn[nH]c2=S)o1 ZINC000008548501 563643736 /nfs/dbraw/zinc/64/37/36/563643736.db2.gz OULDYNBABWDVMB-UHFFFAOYSA-N 0 0 320.805 3.906 40 0 DHABRN CCCC(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000009064327 563644990 /nfs/dbraw/zinc/64/49/90/563644990.db2.gz SMRKWGGPDFIKAS-CYBMUJFWSA-N 0 0 319.474 3.679 40 0 DHABRN COc1cc(CNC(=O)c2cccc(C)c2)ccc1OC(C)C ZINC000010542678 563649680 /nfs/dbraw/zinc/64/96/80/563649680.db2.gz ZMLSBNIHRCPNPL-UHFFFAOYSA-N 0 0 313.397 3.721 40 0 DHABRN COc1cccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)c1 ZINC000012566069 563652978 /nfs/dbraw/zinc/65/29/78/563652978.db2.gz WTLAVBAIIMUMRM-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN COc1ccc2[nH]c(=O)c(CNc3cc(C)cc(C)c3)cc2c1 ZINC000012493261 563653117 /nfs/dbraw/zinc/65/31/17/563653117.db2.gz JFRWJLMCMLIPJP-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN COc1ccc(-c2cc3nc(C)c(C)c(Cl)n3n2)cc1OC ZINC000013562632 563660354 /nfs/dbraw/zinc/66/03/54/563660354.db2.gz NZQDZNURJKMEOM-UHFFFAOYSA-N 0 0 317.776 3.684 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000014398954 563667873 /nfs/dbraw/zinc/66/78/73/563667873.db2.gz LDHFTGJBAJFCJH-IAGOWNOFSA-N 0 0 311.425 3.900 40 0 DHABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000014399265 563668316 /nfs/dbraw/zinc/66/83/16/563668316.db2.gz YGKBXJYGDLDGHH-CYBMUJFWSA-N 0 0 303.789 3.766 40 0 DHABRN COC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl ZINC000014831605 563673239 /nfs/dbraw/zinc/67/32/39/563673239.db2.gz HPFPKSMNSRXSEK-UHFFFAOYSA-N 0 0 317.772 3.698 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000216256673 563707976 /nfs/dbraw/zinc/70/79/76/563707976.db2.gz KXACRYAAIBLLHZ-LSDHHAIUSA-N 0 0 309.409 3.994 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1ccc(C)cc1)c1ccc(C)cc1 ZINC000216417253 563709666 /nfs/dbraw/zinc/70/96/66/563709666.db2.gz LXTNKAMVYJCWHQ-SFHVURJKSA-N 0 0 317.454 3.874 40 0 DHABRN Cc1cccc(NC(=S)NC(=O)c2cccc(F)c2)c1C ZINC000021596231 563711169 /nfs/dbraw/zinc/71/11/69/563711169.db2.gz NYNHMZCIROQLHY-UHFFFAOYSA-N 0 0 302.374 3.569 40 0 DHABRN COc1cccc(CCCNC(=O)Cc2ccc(C)c(C)c2)c1 ZINC000218804777 563717080 /nfs/dbraw/zinc/71/70/80/563717080.db2.gz LHCQMKBBUICQKN-UHFFFAOYSA-N 0 0 311.425 3.604 40 0 DHABRN Cc1ccc(C)c(OCC(=O)NCCSC2CCCCC2)c1 ZINC000218948813 563717512 /nfs/dbraw/zinc/71/75/12/563717512.db2.gz VALABCROTLEGOY-UHFFFAOYSA-N 0 0 321.486 3.864 40 0 DHABRN O=C(Nc1ccccc1F)c1cnc(-c2ccc(F)cc2)nc1 ZINC000222612288 563726369 /nfs/dbraw/zinc/72/63/69/563726369.db2.gz YHPWJWRREDPUBU-UHFFFAOYSA-N 0 0 311.291 3.674 40 0 DHABRN Cc1ccc(CNC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1 ZINC000222610100 563726671 /nfs/dbraw/zinc/72/66/71/563726671.db2.gz RFVFUGGHQFUDGE-UHFFFAOYSA-N 0 0 321.355 3.521 40 0 DHABRN COc1ccccc1CCCNC(=O)Cc1ccc(C)cc1C ZINC000222690564 563727309 /nfs/dbraw/zinc/72/73/09/563727309.db2.gz OCTGAMGTBJMEHQ-UHFFFAOYSA-N 0 0 311.425 3.604 40 0 DHABRN COc1cccc(N(C)C(=O)c2cc(Cl)ccc2OC)c1 ZINC000222953568 563729720 /nfs/dbraw/zinc/72/97/20/563729720.db2.gz IUBWTAVFMSQACD-UHFFFAOYSA-N 0 0 305.761 3.634 40 0 DHABRN C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000223225928 563732291 /nfs/dbraw/zinc/73/22/91/563732291.db2.gz YWOGRDQOZXBXMA-HUUCEWRRSA-N 0 0 309.409 3.820 40 0 DHABRN O=C(OCc1ccc(F)cc1)c1snnc1-c1cccs1 ZINC000223846894 563737305 /nfs/dbraw/zinc/73/73/05/563737305.db2.gz QSEDUULCIXEHSG-UHFFFAOYSA-N 0 0 320.370 3.763 40 0 DHABRN CCOc1ccc(CCCNC(=O)Cc2ccc(F)cc2)cc1 ZINC000223939952 563737990 /nfs/dbraw/zinc/73/79/90/563737990.db2.gz ZEPSOZFKKIAKNL-UHFFFAOYSA-N 0 0 315.388 3.516 40 0 DHABRN Cc1ccc(C)c(OCCNC(=O)CSc2ccccc2)c1 ZINC000223977884 563738642 /nfs/dbraw/zinc/73/86/42/563738642.db2.gz JCBBSRLZNNHPHI-UHFFFAOYSA-N 0 0 315.438 3.591 40 0 DHABRN Cc1cccc(OCCNC(=O)c2ccc(Cl)cc2F)c1C ZINC000223967028 563738720 /nfs/dbraw/zinc/73/87/20/563738720.db2.gz MTLXYTDNQDABAE-UHFFFAOYSA-N 0 0 321.779 3.905 40 0 DHABRN CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000224155121 563740157 /nfs/dbraw/zinc/74/01/57/563740157.db2.gz CPPBJCUTNSNDBL-LSDHHAIUSA-N 0 0 307.434 3.795 40 0 DHABRN COc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000224283071 563740451 /nfs/dbraw/zinc/74/04/51/563740451.db2.gz XAAXVLYRVHIXDL-UHFFFAOYSA-N 0 0 307.752 3.977 40 0 DHABRN COCc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 ZINC000224296043 563740586 /nfs/dbraw/zinc/74/05/86/563740586.db2.gz VSSGGLGEASWYKF-HNNXBMFYSA-N 0 0 313.397 3.856 40 0 DHABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 ZINC000224294114 563740670 /nfs/dbraw/zinc/74/06/70/563740670.db2.gz HYTZJYCPWHOYCK-HNNXBMFYSA-N 0 0 315.388 3.569 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000224418951 563741216 /nfs/dbraw/zinc/74/12/16/563741216.db2.gz HSRZUJOLLFXDIG-HOTGVXAUSA-N 0 0 311.425 3.936 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C ZINC000224397423 563741236 /nfs/dbraw/zinc/74/12/36/563741236.db2.gz ZABHDTBREJCRKG-GJZGRUSLSA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccc(C(=O)NCCC(C)C)cc1COCC(C)C ZINC000224453960 563742093 /nfs/dbraw/zinc/74/20/93/563742093.db2.gz WFMKNZAEKHMMFI-UHFFFAOYSA-N 0 0 307.434 3.644 40 0 DHABRN CCCCOCc1cc(C(=O)N2CCCCC2)ccc1OC ZINC000224440357 563742105 /nfs/dbraw/zinc/74/21/05/563742105.db2.gz RLXQKNKNPUCVMP-UHFFFAOYSA-N 0 0 305.418 3.638 40 0 DHABRN 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O=Cc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000007263374 181450209 /nfs/dbraw/zinc/45/02/09/181450209.db2.gz UUXRLANNJMKJHK-UHFFFAOYSA-N 0 0 324.163 3.823 40 0 DHABRN CC[C@H]1CO[C@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096073336 193523997 /nfs/dbraw/zinc/52/39/97/193523997.db2.gz MAEKYJWTIMGVQV-QRWLVFNGSA-N 0 0 324.424 3.656 40 0 DHABRN COc1ccccc1[C@@H]1Cc2c(cnn2-c2ccccc2)C(=O)C1 ZINC000008570257 181565299 /nfs/dbraw/zinc/56/52/99/181565299.db2.gz ZYIDAJFNBIJVHF-CQSZACIVSA-N 0 0 318.376 3.794 40 0 DHABRN Cc1cccc(NC(=O)/C=C2\Sc3ccccc3NC2=O)c1 ZINC000009287481 181611503 /nfs/dbraw/zinc/61/15/03/181611503.db2.gz VECNHBKOTRFIMH-GDNBJRDFSA-N 0 0 310.378 3.562 40 0 DHABRN COc1ccc(OC)c(NC(=O)CCc2ccc(Cl)cc2)c1 ZINC000010410078 181669126 /nfs/dbraw/zinc/66/91/26/181669126.db2.gz LLXTYCWCPFEGHE-UHFFFAOYSA-N 0 0 319.788 3.929 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(F)cc2)C1 ZINC000012141942 181731965 /nfs/dbraw/zinc/73/19/65/181731965.db2.gz IERYFFQDBOOVPT-HIFRSBDPSA-N 0 0 309.381 3.506 40 0 DHABRN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCCC[C@H]1CCOC1 ZINC000012204061 181740291 /nfs/dbraw/zinc/74/02/91/181740291.db2.gz RTSGVZISURIDPO-HNNXBMFYSA-N 0 0 314.429 3.640 40 0 DHABRN CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1N ZINC000012496714 181767689 /nfs/dbraw/zinc/76/76/89/181767689.db2.gz KRNPXICPTJBMJC-UHFFFAOYSA-N 0 0 314.385 3.627 40 0 DHABRN CCn1c(N)c(C(=O)Nc2ccc(C)c(C)c2)sc1=S ZINC000013547267 181860640 /nfs/dbraw/zinc/86/06/40/181860640.db2.gz JRDSWJPIMDHQCS-UHFFFAOYSA-N 0 0 307.444 3.750 40 0 DHABRN CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 ZINC000013669192 181875525 /nfs/dbraw/zinc/87/55/25/181875525.db2.gz ZYYDCDULBPKYDX-LBPRGKRZSA-N 0 0 303.333 3.630 40 0 DHABRN CC(C)NC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000013840877 181906408 /nfs/dbraw/zinc/90/64/08/181906408.db2.gz RPZKWSJOAHAAIZ-UHFFFAOYSA-N 0 0 307.644 3.797 40 0 DHABRN COc1ccc(-n2ncc3c2C[C@@H](c2cccs2)CC3=O)cc1 ZINC000014164176 181932231 /nfs/dbraw/zinc/93/22/31/181932231.db2.gz SYROZDCWWOEEHM-GFCCVEGCSA-N 0 0 324.405 3.855 40 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C[P@](=O)(Nc1ccc(F)cc1)c1nc2c(s1)CCCC2 ZINC000016807310 182061371 /nfs/dbraw/zinc/06/13/71/182061371.db2.gz QYSYQJWWFWMSIS-LJQANCHMSA-N 0 0 310.334 3.806 40 0 DHABRN CC(C)(C)OC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000016697174 182058082 /nfs/dbraw/zinc/05/80/82/182058082.db2.gz GERCIEUFEWCELG-LBPRGKRZSA-N 0 0 320.216 3.942 40 0 DHABRN Cc1cc(C)cc(OC(=O)/C=C/C(=O)Oc2cc(C)cc(C)c2)c1 ZINC000016978800 182067096 /nfs/dbraw/zinc/06/70/96/182067096.db2.gz NYIVWHPQBIBSKZ-AATRIKPKSA-N 0 0 324.376 3.987 40 0 DHABRN Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc(C(F)(F)F)n1 ZINC000017056817 182073975 /nfs/dbraw/zinc/07/39/75/182073975.db2.gz OPPFTVKQZFAOFL-UHFFFAOYSA-N 0 0 324.093 3.523 40 0 DHABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 ZINC000017321943 182083596 /nfs/dbraw/zinc/08/35/96/182083596.db2.gz OYTNWOJBWUMADQ-ZDUSSCGKSA-N 0 0 315.800 3.692 40 0 DHABRN COc1ccc(NC(=S)NCCSc2ccccc2)cc1 ZINC000018138248 182094318 /nfs/dbraw/zinc/09/43/18/182094318.db2.gz ARHPPHMQTVMMPM-UHFFFAOYSA-N 0 0 318.467 3.774 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)COc1c(C)cccc1C ZINC000017970300 182089136 /nfs/dbraw/zinc/08/91/36/182089136.db2.gz JQMBFZRITBFMGT-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN CCCOc1ccc(C(=O)NCCOc2cccc(C)c2)cc1 ZINC000018147359 182095361 /nfs/dbraw/zinc/09/53/61/182095361.db2.gz YAXFYHYTCRWPQC-UHFFFAOYSA-N 0 0 313.397 3.593 40 0 DHABRN Cc1cccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1 ZINC000019236104 182111298 /nfs/dbraw/zinc/11/12/98/182111298.db2.gz KMZRBTDOSUWXCE-IBGZPJMESA-N 0 0 314.404 3.710 40 0 DHABRN CC(C)C(=O)N1CCCCC[C@H]1c1cc(C(F)(F)F)nn1C ZINC000019085705 182104586 /nfs/dbraw/zinc/10/45/86/182104586.db2.gz MAWQUNNYRUEZKN-NSHDSACASA-N 0 0 317.355 3.539 40 0 DHABRN O=C(NCCc1nc(-c2ccccc2)cs1)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000019374333 182120797 /nfs/dbraw/zinc/12/07/97/182120797.db2.gz GNINQCNDSUDJDJ-VNQPRFMTSA-N 0 0 324.449 3.681 40 0 DHABRN c1coc([C@@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)c1 ZINC000019376172 182120854 /nfs/dbraw/zinc/12/08/54/182120854.db2.gz QPVMKVCIEVVEOO-LJQANCHMSA-N 0 0 319.408 3.623 40 0 DHABRN O=C(N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1ccncc1 ZINC000019373854 182121115 /nfs/dbraw/zinc/12/11/15/182121115.db2.gz JAQORNMJQZBIJX-YRXWBPOGSA-N 0 0 306.409 3.784 40 0 DHABRN CCOc1ccc2nc3c(cc2c1)CN(C1CCCC1)C(=O)O3 ZINC000019519967 182127377 /nfs/dbraw/zinc/12/73/77/182127377.db2.gz BOISKLDPVSPEOK-UHFFFAOYSA-N 0 0 312.369 3.891 40 0 DHABRN Cc1nc(N[C@H](C)c2ccccn2)cc(-c2cc(C(C)C)[nH]n2)n1 ZINC000019655715 182134326 /nfs/dbraw/zinc/13/43/26/182134326.db2.gz OPAWROHATSIXIB-GFCCVEGCSA-N 0 0 322.416 3.867 40 0 DHABRN Cc1cc(Br)cc(C)c1NC(=O)c1cccc(N)c1 ZINC000020030710 182181323 /nfs/dbraw/zinc/18/13/23/182181323.db2.gz SEMIGDZOACADSN-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN CSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020029852 182181677 /nfs/dbraw/zinc/18/16/77/182181677.db2.gz PECLFAMHLZTZMC-CYBMUJFWSA-N 0 0 321.467 3.756 40 0 DHABRN CCOC(=O)c1cc(NC(=O)c2ccccc2F)ccc1Cl ZINC000020051053 182183788 /nfs/dbraw/zinc/18/37/88/182183788.db2.gz XWHBTDJKBURYIU-UHFFFAOYSA-N 0 0 321.735 3.908 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NC1CCCCCC1 ZINC000020110623 182187936 /nfs/dbraw/zinc/18/79/36/182187936.db2.gz YSLVZCBWDXTDDB-QGZVFWFLSA-N 0 0 305.418 3.692 40 0 DHABRN NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000020154568 182192824 /nfs/dbraw/zinc/19/28/24/182192824.db2.gz YLLZQZWSFIOCMA-UHFFFAOYSA-N 0 0 319.773 3.509 40 0 DHABRN COc1cc(NC(=O)c2ccc(C)c(N)c2)c(OC)cc1Cl ZINC000020195065 182196024 /nfs/dbraw/zinc/19/60/24/182196024.db2.gz OPRDNLHYOCXLEH-UHFFFAOYSA-N 0 0 320.776 3.500 40 0 DHABRN Nc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000020343811 182209687 /nfs/dbraw/zinc/20/96/87/182209687.db2.gz TUKSOMUFTDWVOB-UHFFFAOYSA-N 0 0 311.168 3.593 40 0 DHABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000020485583 182223067 /nfs/dbraw/zinc/22/30/67/182223067.db2.gz KTDFSMQQCDZXIO-LSDHHAIUSA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000020485589 182223256 /nfs/dbraw/zinc/22/32/56/182223256.db2.gz KTDFSMQQCDZXIO-GJZGRUSLSA-N 0 0 313.397 3.648 40 0 DHABRN Cc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000020451374 182218799 /nfs/dbraw/zinc/21/87/99/182218799.db2.gz MABYVJCWMNEUKT-ZDUSSCGKSA-N 0 0 323.845 3.829 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)ccc1OC ZINC000020462384 182221062 /nfs/dbraw/zinc/22/10/62/182221062.db2.gz OCVOVUCKUKARJX-MRXNPFEDSA-N 0 0 317.360 3.939 40 0 DHABRN CCOc1cccc(CNC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000020495374 182224172 /nfs/dbraw/zinc/22/41/72/182224172.db2.gz MIZPSASVRQPVQT-UHFFFAOYSA-N 0 0 313.397 3.803 40 0 DHABRN O=C(NCc1ccccc1Cl)c1noc2c1CCCCC2 ZINC000020495110 182224650 /nfs/dbraw/zinc/22/46/50/182224650.db2.gz RIBNFMXJSKFWGK-UHFFFAOYSA-N 0 0 304.777 3.527 40 0 DHABRN [O-]c1c(Br)cc(C[NH+]2CCCCC2)c2cccnc12 ZINC000020506502 182225846 /nfs/dbraw/zinc/22/58/46/182225846.db2.gz RBGQXVWUYJJKBV-UHFFFAOYSA-N 0 0 321.218 3.689 40 0 DHABRN COc1ccc(Cl)cc1NC(=O)c1noc2c1C[C@H](C)CC2 ZINC000020572107 182234341 /nfs/dbraw/zinc/23/43/41/182234341.db2.gz QHNTUSDIPOJZNM-SECBINFHSA-N 0 0 320.776 3.714 40 0 DHABRN CCC1=Nc2ccccc2[N-]C(=[NH2+])C1c1ccc(OC)c(OC)c1 ZINC000020635374 182239880 /nfs/dbraw/zinc/23/98/80/182239880.db2.gz XFQXLZVKIQCHCG-UHFFFAOYSA-N 0 0 323.396 3.939 40 0 DHABRN CC(C)[NH2+]CC[C@@H](c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC000022053992 182306761 /nfs/dbraw/zinc/30/67/61/182306761.db2.gz LXKJBTVDQUGPBU-INIZCTEOSA-N 0 0 313.397 3.610 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000022532466 182325398 /nfs/dbraw/zinc/32/53/98/182325398.db2.gz FJJUIXGPRBREKH-LLVKDONJSA-N 0 0 305.324 3.933 40 0 DHABRN CCCNC(=O)c1ccccc1NC(=O)c1cc(C)ccc1C ZINC000023689308 182365947 /nfs/dbraw/zinc/36/59/47/182365947.db2.gz NAYBFBRZMDNXSC-UHFFFAOYSA-N 0 0 310.397 3.696 40 0 DHABRN CC1(C)CCc2cc(NS(=O)(=O)c3ccccc3)ccc2O1 ZINC000024613992 182385167 /nfs/dbraw/zinc/38/51/67/182385167.db2.gz IRXNMXDYVXJNRD-UHFFFAOYSA-N 0 0 317.410 3.591 40 0 DHABRN Cc1cc(NC(c2ccccc2)c2ccccc2)n2ncnc2n1 ZINC000025369411 182411073 /nfs/dbraw/zinc/41/10/73/182411073.db2.gz BRSXDXJWBMLSSX-UHFFFAOYSA-N 0 0 315.380 3.634 40 0 DHABRN NC(=S)Nc1ccc(Br)cc1-c1ccccc1 ZINC000026508207 182444172 /nfs/dbraw/zinc/44/41/72/182444172.db2.gz FQBRHJZHCPOSMY-UHFFFAOYSA-N 0 0 307.216 3.772 40 0 DHABRN Cc1c(Cl)cccc1NC1=NCC(=O)N1Cc1cccs1 ZINC000026438580 182441550 /nfs/dbraw/zinc/44/15/50/182441550.db2.gz ZIJHFZMQINNJNI-UHFFFAOYSA-N 0 0 319.817 3.520 40 0 DHABRN COC(=O)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000028210471 182511352 /nfs/dbraw/zinc/51/13/52/182511352.db2.gz WFPJDHNJYXQFMJ-UHFFFAOYSA-N 0 0 323.270 3.744 40 0 DHABRN CCSc1ccccc1C(=O)NCCOc1ccc(F)cc1 ZINC000030129832 182584024 /nfs/dbraw/zinc/58/40/24/182584024.db2.gz GAJHIXVUAMENCJ-UHFFFAOYSA-N 0 0 319.401 3.747 40 0 DHABRN CCN1C(=O)SC(=CNc2cccc(C(F)(F)F)c2)C1=O ZINC000036636161 182831911 /nfs/dbraw/zinc/83/19/11/182831911.db2.gz HMFLWXPMVBODME-YFHOEESVSA-N 0 0 316.304 3.674 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)N(C)C2CCCC2)cc1OC ZINC000038754945 183008402 /nfs/dbraw/zinc/00/84/02/183008402.db2.gz AOWWKZXFVTZWRS-LBPRGKRZSA-N 0 0 323.458 3.585 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2F)C1 ZINC000039954148 183023701 /nfs/dbraw/zinc/02/37/01/183023701.db2.gz HAUANQPWEWJEKL-LLVKDONJSA-N 0 0 315.772 3.867 40 0 DHABRN CN(C)c1cccc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000039953964 183023883 /nfs/dbraw/zinc/02/38/83/183023883.db2.gz KJZPWKZFVBFSOY-MRXNPFEDSA-N 0 0 320.433 3.531 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](COc2cc(F)ccc2F)C1 ZINC000039954455 183024537 /nfs/dbraw/zinc/02/45/37/183024537.db2.gz GACYFLSURFENBF-LLVKDONJSA-N 0 0 313.344 3.601 40 0 DHABRN CCOc1ccc([C@H](O)c2ccc(Br)cc2)cc1 ZINC000040243361 183049421 /nfs/dbraw/zinc/04/94/21/183049421.db2.gz FKRMRASOLCHADC-OAHLLOKOSA-N 0 0 307.187 3.930 40 0 DHABRN COc1ccc(F)cc1[C@H](O)c1ccc(Br)cc1 ZINC000040258217 183049518 /nfs/dbraw/zinc/04/95/18/183049518.db2.gz CWROPZOCKAJURT-CQSZACIVSA-N 0 0 311.150 3.679 40 0 DHABRN COc1ccc([C@H](O)c2ccc(Br)cc2)cc1C ZINC000040262271 183049166 /nfs/dbraw/zinc/04/91/66/183049166.db2.gz HOLUPBGZVKLXRJ-OAHLLOKOSA-N 0 0 307.187 3.848 40 0 DHABRN CCc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000041761414 183219018 /nfs/dbraw/zinc/21/90/18/183219018.db2.gz GMEUUUZUKPBLQJ-UHFFFAOYSA-N 0 0 309.409 3.936 40 0 DHABRN COc1ccc([C@H](O)c2ccc(Br)cc2)cc1OC ZINC000042268236 183248240 /nfs/dbraw/zinc/24/82/40/183248240.db2.gz DGNNFTUOIOMNAX-OAHLLOKOSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccccc1/C=C/C(=O)NCCSC1CCCC1 ZINC000046450276 183561723 /nfs/dbraw/zinc/56/17/23/183561723.db2.gz IVKDYSDJPJVDIX-ZHACJKMWSA-N 0 0 305.443 3.500 40 0 DHABRN COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OC ZINC000048546197 183664448 /nfs/dbraw/zinc/66/44/48/183664448.db2.gz DZROLBFXUXGMAR-UHFFFAOYSA-N 0 0 305.761 3.918 40 0 DHABRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000055675402 183994467 /nfs/dbraw/zinc/99/44/67/183994467.db2.gz XMDXKAGXJNFYDB-UHFFFAOYSA-N 0 0 319.426 3.527 40 0 DHABRN Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1N ZINC000057340521 184033756 /nfs/dbraw/zinc/03/37/56/184033756.db2.gz RGFNANIGNKYQBF-UHFFFAOYSA-N 0 0 318.804 3.865 40 0 DHABRN COc1cc2ccccc2cc1C(=O)Nc1cc(N)ccc1C ZINC000057340152 184033779 /nfs/dbraw/zinc/03/37/79/184033779.db2.gz VVCGUSZZMSZZKH-UHFFFAOYSA-N 0 0 306.365 3.991 40 0 DHABRN COC(=O)c1cccc(OCc2cccc(Br)c2)c1 ZINC000057475646 184039468 /nfs/dbraw/zinc/03/94/68/184039468.db2.gz SYMOVRNNDZEYIT-UHFFFAOYSA-N 0 0 321.170 3.815 40 0 DHABRN Cc1ccc(C)c(OCC(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000060382336 184147619 /nfs/dbraw/zinc/14/76/19/184147619.db2.gz LWBPSBKPIBFALG-UHFFFAOYSA-N 0 0 317.816 3.994 40 0 DHABRN CC(C)(C)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 ZINC000060504236 184151066 /nfs/dbraw/zinc/15/10/66/184151066.db2.gz JDHHREAZOOCAHC-UHFFFAOYSA-N 0 0 323.436 3.948 40 0 DHABRN CCOc1ccccc1CNC(=S)Nc1cccc(OC)c1 ZINC000064893285 184305577 /nfs/dbraw/zinc/30/55/77/184305577.db2.gz VSPJPUAWNBIDHX-UHFFFAOYSA-N 0 0 316.426 3.581 40 0 DHABRN COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000113959672 194623250 /nfs/dbraw/zinc/62/32/50/194623250.db2.gz DQFNOADMHNNLAW-GJZGRUSLSA-N 0 0 313.397 3.648 40 0 DHABRN CC(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000014258111 256526091 /nfs/dbraw/zinc/52/60/91/256526091.db2.gz LXMNPYJBNPCFJZ-UHFFFAOYSA-N 0 0 308.385 3.811 40 0 DHABRN COC(=O)c1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000063022387 256541006 /nfs/dbraw/zinc/54/10/06/256541006.db2.gz LBJJHQJBVQCMJW-UHFFFAOYSA-N 0 0 303.745 3.687 40 0 DHABRN Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSC(C)(C)C)c1 ZINC000113960529 256585032 /nfs/dbraw/zinc/58/50/32/256585032.db2.gz LGVFZTRIAZBKAO-AWEZNQCLSA-N 0 0 309.475 3.719 40 0 DHABRN O=C(CN1Cc2ccccc2C1)Nc1cccc(Cl)c1Cl ZINC000175208699 256590127 /nfs/dbraw/zinc/59/01/27/256590127.db2.gz QLEMVQQWNOLTHX-UHFFFAOYSA-N 0 0 321.207 3.948 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3Cl)O[C@@H]2C1 ZINC000242463881 257120362 /nfs/dbraw/zinc/12/03/62/257120362.db2.gz DPFJHPUYYLYPEL-CZUORRHYSA-N 0 0 309.793 3.575 40 0 DHABRN Cc1cc(N2CCCCCC2)ncc1CNC(=O)OC(C)(C)C ZINC000072223521 257123743 /nfs/dbraw/zinc/12/37/43/257123743.db2.gz VXKRPFFNUAZNJY-UHFFFAOYSA-N 0 0 319.449 3.795 40 0 DHABRN COc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c(C)n1 ZINC000072218104 257124687 /nfs/dbraw/zinc/12/46/87/257124687.db2.gz WEAHVCBVSHFEDX-AWEZNQCLSA-N 0 0 306.406 3.861 40 0 DHABRN CCN(C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072212783 257127091 /nfs/dbraw/zinc/12/70/91/257127091.db2.gz VKEYEUGNERIGHX-KRWDZBQOSA-N 0 0 309.413 3.515 40 0 DHABRN Nc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212447 257127468 /nfs/dbraw/zinc/12/74/68/257127468.db2.gz QBMPZEKLHLXIQW-INIZCTEOSA-N 0 0 311.385 3.528 40 0 DHABRN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000170387666 257216919 /nfs/dbraw/zinc/21/69/19/257216919.db2.gz FFINUKKXZOELDM-CJNGLKHVSA-N 0 0 316.445 3.618 40 0 DHABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 ZINC000059227368 257217203 /nfs/dbraw/zinc/21/72/03/257217203.db2.gz VJSRNDPPUIYGJC-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN CC(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000021596344 257217677 /nfs/dbraw/zinc/21/76/77/257217677.db2.gz IYCPHIDCOQUFBC-UHFFFAOYSA-N 0 0 324.755 3.828 40 0 DHABRN CCCn1nnnc1NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007263423 257218477 /nfs/dbraw/zinc/21/84/77/257218477.db2.gz RTKCJDZPUSEXRZ-UHFFFAOYSA-N 0 0 317.780 3.609 40 0 DHABRN COc1ccccc1NC(=O)CSCc1ccccc1C ZINC000003601221 257219179 /nfs/dbraw/zinc/21/91/79/257219179.db2.gz CTVZEQDVAVUIHP-UHFFFAOYSA-N 0 0 301.411 3.876 40 0 DHABRN COC(=O)c1cn(CCOc2ccccc2C)c2ccccc12 ZINC000000555879 257219697 /nfs/dbraw/zinc/21/96/97/257219697.db2.gz ZKTCHQVWLQZJSB-UHFFFAOYSA-N 0 0 309.365 3.815 40 0 DHABRN Cc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)s1 ZINC000409245377 257220185 /nfs/dbraw/zinc/22/01/85/257220185.db2.gz RUORSAAWQTVHNS-MDWZMJQESA-N 0 0 318.785 3.807 40 0 DHABRN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000409147052 257222064 /nfs/dbraw/zinc/22/20/64/257222064.db2.gz MFEWVOCVGPBKPP-GFCCVEGCSA-N 0 0 310.825 3.611 40 0 DHABRN COc1cccc(C(=O)NCCSCc2ccccc2C)c1 ZINC000409023990 257224175 /nfs/dbraw/zinc/22/41/75/257224175.db2.gz GJGWQCDHUWMYAQ-UHFFFAOYSA-N 0 0 315.438 3.667 40 0 DHABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O ZINC000409010703 257224191 /nfs/dbraw/zinc/22/41/91/257224191.db2.gz DCQDOXIIRRCCDP-LUHPIMIVSA-N 0 0 305.399 3.838 40 0 DHABRN CCOc1cc(C=O)c(Br)cc1O[C@@H](C)CC ZINC000408845537 257226049 /nfs/dbraw/zinc/22/60/49/257226049.db2.gz GJZNOBJXFGECCS-VIFPVBQESA-N 0 0 301.180 3.838 40 0 DHABRN O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)n1ccnc1 ZINC000408734088 257227237 /nfs/dbraw/zinc/22/72/37/257227237.db2.gz IIWBFLOYWKZGQL-INIZCTEOSA-N 0 0 311.772 3.765 40 0 DHABRN O=C(Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)n1ccnc1 ZINC000408734332 257227360 /nfs/dbraw/zinc/22/73/60/257227360.db2.gz NSXJVKPGQITTFR-MRXNPFEDSA-N 0 0 311.772 3.765 40 0 DHABRN CCC1CCC(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000408709254 257227645 /nfs/dbraw/zinc/22/76/45/257227645.db2.gz QVTXRZSDZVHIPS-UHFFFAOYSA-N 0 0 316.445 3.834 40 0 DHABRN CCn1cc(C(=O)Nc2ccccc2C)c(=O)c2cc(C)ccc21 ZINC000408713212 257227780 /nfs/dbraw/zinc/22/77/80/257227780.db2.gz OHNRSPMLPYNPKW-UHFFFAOYSA-N 0 0 320.392 3.891 40 0 DHABRN Cc1cc(C)cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1 ZINC000408714467 257228050 /nfs/dbraw/zinc/22/80/50/257228050.db2.gz RHRAMPFLVWHQJV-UHFFFAOYSA-N 0 0 321.380 3.626 40 0 DHABRN CC1CCC(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000408708089 257228146 /nfs/dbraw/zinc/22/81/46/257228146.db2.gz GRRXWCGRSLFSNT-UHFFFAOYSA-N 0 0 316.445 3.618 40 0 DHABRN CCn1c2ccccc2nc1SC(=O)c1ccc(OC)cc1 ZINC000408691967 257228429 /nfs/dbraw/zinc/22/84/29/257228429.db2.gz ACBSBEKFRJXGLV-UHFFFAOYSA-N 0 0 312.394 3.997 40 0 DHABRN COc1cccc(C(=S)NCc2ccccc2Cl)c1OC ZINC000408571476 257229816 /nfs/dbraw/zinc/22/98/16/257229816.db2.gz CFUGVWRPNRGCEV-UHFFFAOYSA-N 0 0 321.829 3.823 40 0 DHABRN COc1cccc(OC)c1C(=O)Nc1cccc(OC(C)C)c1 ZINC000408577205 257229966 /nfs/dbraw/zinc/22/99/66/257229966.db2.gz XFMPUHGQRDYMJQ-UHFFFAOYSA-N 0 0 315.369 3.743 40 0 DHABRN O=C(Cc1ccc(Cl)cc1)Sc1nnc(-c2ccco2)o1 ZINC000408530546 257230108 /nfs/dbraw/zinc/23/01/08/257230108.db2.gz MDEKOIPAHZIFPX-UHFFFAOYSA-N 0 0 320.757 3.844 40 0 DHABRN COc1ccc(C(=O)Sc2nnc(-c3ccccc3)o2)cc1 ZINC000408535250 257230439 /nfs/dbraw/zinc/23/04/39/257230439.db2.gz YCVBEKOBBPUYSC-UHFFFAOYSA-N 0 0 312.350 3.678 40 0 DHABRN COc1ccc(-c2ccc(OC(=O)c3ccc(C)cc3)nn2)cc1 ZINC000408531582 257230448 /nfs/dbraw/zinc/23/04/48/257230448.db2.gz VCSGNYNRKSFWLK-UHFFFAOYSA-N 0 0 320.348 3.680 40 0 DHABRN Cc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000408528523 257230486 /nfs/dbraw/zinc/23/04/86/257230486.db2.gz IUOFMEWPUIXTQT-UHFFFAOYSA-N 0 0 308.312 3.810 40 0 DHABRN CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1cccc(F)c1 ZINC000005001251 257230622 /nfs/dbraw/zinc/23/06/22/257230622.db2.gz BKPPWHSZMNCNLC-UHFFFAOYSA-N 0 0 314.360 3.732 40 0 DHABRN CCN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O ZINC000005552334 257231479 /nfs/dbraw/zinc/23/14/79/257231479.db2.gz OVLFZFDXCCPZPF-YFHOEESVSA-N 0 0 312.188 3.505 40 0 DHABRN 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ZINC000007387582 563635538 /nfs/dbraw/zinc/63/55/38/563635538.db2.gz HDERVNAMNFEEHL-UHFFFAOYSA-N 0 0 306.715 3.831 40 0 DHABRN CCOc1ccc(C(=O)NCCSCc2ccco2)cc1C ZINC000224924969 563745047 /nfs/dbraw/zinc/74/50/47/563745047.db2.gz YSOFCFMIQFBMDC-UHFFFAOYSA-N 0 0 319.426 3.650 40 0 DHABRN CCC[C@H](C)NC(=O)c1snnc1-c1ccc(Cl)cc1 ZINC000225771686 563762843 /nfs/dbraw/zinc/76/28/43/563762843.db2.gz FSDOPOPYOKTYFV-VIFPVBQESA-N 0 0 309.822 3.777 40 0 DHABRN CC1(C)Cc2c(sc3nc4n(c(=O)c32)CCCS4)CS1 ZINC000000258229 563819070 /nfs/dbraw/zinc/81/90/70/563819070.db2.gz OHCGEJNQQHCMNJ-UHFFFAOYSA-N 0 0 324.496 3.522 40 0 DHABRN CCOC(=O)c1cc(Br)c2ccc(Cl)cc2n1 ZINC000685937207 563927077 /nfs/dbraw/zinc/92/70/77/563927077.db2.gz NAOYDBCATJQZGY-UHFFFAOYSA-N 0 0 314.566 3.827 40 0 DHABRN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C)ccc1C ZINC000000050365 563211897 /nfs/dbraw/zinc/21/18/97/563211897.db2.gz JWVSKPGPYOGHGP-QGZVFWFLSA-N 0 0 313.353 3.602 40 0 DHABRN O=C1C=C(c2ccc(Cl)cc2)C(=O)N1c1ccccc1Cl ZINC000000206939 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563290703 /nfs/dbraw/zinc/29/07/03/563290703.db2.gz VVVMMENIEXXPRH-UHFFFAOYSA-N 0 0 323.373 3.671 40 0 DHABRN CC(=O)Nc1ccc(Cc2ccc(Br)cc2)cc1 ZINC000001701631 563291979 /nfs/dbraw/zinc/29/19/79/563291979.db2.gz SKMZUESQKPWBBX-UHFFFAOYSA-N 0 0 304.187 3.998 40 0 DHABRN S=C(c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000001730962 563293819 /nfs/dbraw/zinc/29/38/19/563293819.db2.gz IFHCOVSTSFDIFZ-UHFFFAOYSA-N 0 0 316.857 3.838 40 0 DHABRN CCOC(=O)c1ccc2cc(C(=O)c3ccccc3)ccc2n1 ZINC000001871792 563297017 /nfs/dbraw/zinc/29/70/17/563297017.db2.gz SEJDBLIRMYLSHR-UHFFFAOYSA-N 0 0 305.333 3.643 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 ZINC000001937387 563297620 /nfs/dbraw/zinc/29/76/20/563297620.db2.gz DQFPKIFYYMXOBA-VAWYXSNFSA-N 0 0 309.365 3.824 40 0 DHABRN C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003514978 563325955 /nfs/dbraw/zinc/32/59/55/563325955.db2.gz XJTWFNKRBCLIBX-LLVKDONJSA-N 0 0 307.752 3.735 40 0 DHABRN Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000005474492 563329752 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Cc1nc2cc(C(=O)N(C)c3ccc(C)c(C)c3)ccc2n1C ZINC000225893241 563766650 /nfs/dbraw/zinc/76/66/50/563766650.db2.gz QPWZOYIPCOHNAO-UHFFFAOYSA-N 0 0 307.397 3.775 40 0 DHABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)nc1C ZINC000225907192 563766960 /nfs/dbraw/zinc/76/69/60/563766960.db2.gz UQFAAWLUNIGRBB-QGZVFWFLSA-N 0 0 308.422 3.713 40 0 DHABRN CCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)c(C)n1 ZINC000225903704 563767184 /nfs/dbraw/zinc/76/71/84/563767184.db2.gz CQTSKKLIFXKXHB-QGZVFWFLSA-N 0 0 308.422 3.713 40 0 DHABRN CCCCOc1ncc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C ZINC000225902556 563767286 /nfs/dbraw/zinc/76/72/86/563767286.db2.gz SXKFLIXQVIQZOB-SFHVURJKSA-N 0 0 320.433 3.713 40 0 DHABRN CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)c(C)n1 ZINC000225913075 563767343 /nfs/dbraw/zinc/76/73/43/563767343.db2.gz DRGAHVIPIIRQEJ-SFHVURJKSA-N 0 0 320.433 3.713 40 0 DHABRN CCC[C@@H](C)NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 ZINC000225915767 563767611 /nfs/dbraw/zinc/76/76/11/563767611.db2.gz CUNVRQBTNBMTQB-GFCCVEGCSA-N 0 0 312.417 3.755 40 0 DHABRN Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCCCCC2)n1 ZINC000225918199 563767760 /nfs/dbraw/zinc/76/77/60/563767760.db2.gz ICXSGNSGNDZWPI-UHFFFAOYSA-N 0 0 324.428 3.853 40 0 DHABRN CCC[C@H](C)NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 ZINC000225918471 563767789 /nfs/dbraw/zinc/76/77/89/563767789.db2.gz JGNIJQFQLPMSNV-LBPRGKRZSA-N 0 0 312.417 3.755 40 0 DHABRN CC(C)n1cccc1CNC(=O)c1ccc2oc(Cl)nc2c1 ZINC000225984361 563767972 /nfs/dbraw/zinc/76/79/72/563767972.db2.gz FUDKHZRWNKFDMG-UHFFFAOYSA-N 0 0 317.776 3.794 40 0 DHABRN O=C(Nc1ccc(F)cc1)c1cc2cccc(Cl)c2oc1=O ZINC000226039423 563768489 /nfs/dbraw/zinc/76/84/89/563768489.db2.gz XVZOQTCERZANAZ-UHFFFAOYSA-N 0 0 317.703 3.838 40 0 DHABRN Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c(C)c1 ZINC000226036332 563768515 /nfs/dbraw/zinc/76/85/15/563768515.db2.gz DIPJHTQDWWTHRK-UHFFFAOYSA-N 0 0 307.349 3.971 40 0 DHABRN Cc1cccc2cc(C(=O)NCCC3=CCCCC3)c(=O)oc12 ZINC000226034148 563768622 /nfs/dbraw/zinc/76/86/22/563768622.db2.gz XDNMFXCUCUSZRH-UHFFFAOYSA-N 0 0 311.381 3.722 40 0 DHABRN CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000032794637 563769677 /nfs/dbraw/zinc/76/96/77/563769677.db2.gz ZMJVNQKWRJQINN-UHFFFAOYSA-N 0 0 317.454 3.805 40 0 DHABRN COC(=O)/C=C/c1ccc2c(ccn2C(=O)OC(C)(C)C)c1 ZINC000066346905 563772793 /nfs/dbraw/zinc/77/27/93/563772793.db2.gz IKUJMQAAEQJMKL-SOFGYWHQSA-N 0 0 301.342 3.611 40 0 DHABRN COc1cccc2cc(C(=O)NCCCc3ccccc3)oc21 ZINC000097254589 563774104 /nfs/dbraw/zinc/77/41/04/563774104.db2.gz RULVWSBAYWATKL-UHFFFAOYSA-N 0 0 309.365 3.804 40 0 DHABRN OC(c1ccc(NCC2CC2)cc1)(C(F)(F)F)C(F)(F)F ZINC000255187414 563786347 /nfs/dbraw/zinc/78/63/47/563786347.db2.gz DJVFHIYGYRZORA-UHFFFAOYSA-N 0 0 313.241 3.821 40 0 DHABRN Cc1cnc(C2(C)CCN(C(=O)Cc3cccs3)CC2)s1 ZINC000257211016 563789484 /nfs/dbraw/zinc/78/94/84/563789484.db2.gz BXDAEWZYPPJNHK-UHFFFAOYSA-N 0 0 320.483 3.636 40 0 DHABRN CCCCc1nc(CN2CCCC[C@H]2c2n[nH]cc2C)c[nH]1 ZINC000257213514 563790365 /nfs/dbraw/zinc/79/03/65/563790365.db2.gz CHWIBIMSLGNOJJ-HNNXBMFYSA-N 0 0 301.438 3.511 40 0 DHABRN CC1(c2nccs2)CCN(Cc2ccc(Cl)cn2)CC1 ZINC000257214170 563790956 /nfs/dbraw/zinc/79/09/56/563790956.db2.gz CKWSGMUQVZTOJL-UHFFFAOYSA-N 0 0 307.850 3.745 40 0 DHABRN Cc1cccc(CN(C)Cc2cnc([C@@H]3CCCCO3)nc2)c1 ZINC000257245254 563791805 /nfs/dbraw/zinc/79/18/05/563791805.db2.gz IORKXOJNPBFPLZ-SFHVURJKSA-N 0 0 311.429 3.659 40 0 DHABRN Cc1cncc(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)n1 ZINC000257251710 563792208 /nfs/dbraw/zinc/79/22/08/563792208.db2.gz JRVWZFBNFLYIGE-UHFFFAOYSA-N 0 0 306.413 3.646 40 0 DHABRN Cc1csc([C@H](C)NC(=O)NCc2ccc3occc3c2)n1 ZINC000660554673 563813698 /nfs/dbraw/zinc/81/36/98/563813698.db2.gz KWUCAINATVHZOT-NSHDSACASA-N 0 0 315.398 3.758 40 0 DHABRN COc1ccc(/C=C/C(=O)Nc2c(C)cccc2C)c(OC)c1 ZINC000000147247 563820348 /nfs/dbraw/zinc/82/03/48/563820348.db2.gz SREXVZSLFMNTAL-PKNBQFBNSA-N 0 0 311.381 3.973 40 0 DHABRN Cc1ccc(CNc2cc(Cl)nc(-c3ccncc3)n2)cc1 ZINC000328979196 563832817 /nfs/dbraw/zinc/83/28/17/563832817.db2.gz GEKDQZQPPKSXAA-UHFFFAOYSA-N 0 0 310.788 3.534 40 0 DHABRN CCNc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)n1 ZINC000328994496 563832970 /nfs/dbraw/zinc/83/29/70/563832970.db2.gz JEVKOMWQXLMBTM-UHFFFAOYSA-N 0 0 323.227 3.680 40 0 DHABRN CCOC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 ZINC000049466410 563851110 /nfs/dbraw/zinc/85/11/10/563851110.db2.gz VPANHEBOFINTOL-UHFFFAOYSA-N 0 0 300.383 3.881 40 0 DHABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]12C ZINC000015958412 563855335 /nfs/dbraw/zinc/85/53/35/563855335.db2.gz CMRJPMODSSEAPL-UAFMIMERSA-N 0 0 312.409 3.900 40 0 DHABRN CC(C)=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000016138628 563858365 /nfs/dbraw/zinc/85/83/65/563858365.db2.gz CZORMLIIFXZLBC-OCVGTWLNSA-N 0 0 313.784 3.598 40 0 DHABRN CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000035442777 563867436 /nfs/dbraw/zinc/86/74/36/563867436.db2.gz OWUVRGCKAKIFOE-KKUMJFAQSA-N 0 0 306.450 3.757 40 0 biogenic,in-vitro DHABRN Cc1cc(C)c2c(c1)oc(=O)c1c2OC(=O)C[C@@H]1c1ccccc1 ZINC000104766133 563877804 /nfs/dbraw/zinc/87/78/04/563877804.db2.gz UACRRECNPFUIHB-CQSZACIVSA-N 0 0 320.344 3.851 40 0 DHABRN Nc1ccc(Br)cc1-c1nc2cc(Cl)cnc2o1 ZINC000078406840 563884329 /nfs/dbraw/zinc/88/43/29/563884329.db2.gz ACIZGBBSYLVRDN-UHFFFAOYSA-N 0 0 324.565 3.888 40 0 DHABRN CCc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 ZINC000036738471 563887935 /nfs/dbraw/zinc/88/79/35/563887935.db2.gz WAPMYRBNXPRGGK-UHFFFAOYSA-N 0 0 319.202 3.846 40 0 DHABRN Cc1cc(-c2ccc(/C=C/C(N)=O)o2)cc(C)c1Br ZINC000045888723 563888511 /nfs/dbraw/zinc/88/85/11/563888511.db2.gz DBUWUTWZDOZVLB-GQCTYLIASA-N 0 0 320.186 3.824 40 0 DHABRN Cc1ccccc1C(=O)Nc1ccc(N)cc1Br ZINC000000285464 563912748 /nfs/dbraw/zinc/91/27/48/563912748.db2.gz HPSUUXCBLQZCFH-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN Nc1cc(-n2cccc2C(=O)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000199735526 563914430 /nfs/dbraw/zinc/91/44/30/563914430.db2.gz NJWNVNZJROKSGO-UHFFFAOYSA-N 0 0 322.208 3.823 40 0 DHABRN Fc1ccc(-n2ncc3c2nc(Cl)nc3Cl)cc1Cl ZINC000228947094 563914641 /nfs/dbraw/zinc/91/46/41/563914641.db2.gz BTLXZDQJEWDVPH-UHFFFAOYSA-N 0 0 317.538 3.915 40 0 DHABRN CCOC(=O)c1cc(N)ccc1N[C@H](C)CCc1ccccc1 ZINC000225495482 563914798 /nfs/dbraw/zinc/91/47/98/563914798.db2.gz DGHXYLMWGJHWEY-CQSZACIVSA-N 0 0 312.413 3.879 40 0 DHABRN Cc1ccc(NC2=NC(=O)C(=Cc3cccc(O)c3)S2)cc1 ZINC000005588534 563921063 /nfs/dbraw/zinc/92/10/63/563921063.db2.gz JZKYVIUFAKCNJH-GDNBJRDFSA-N 0 0 310.378 3.783 40 0 DHABRN Cc1ccccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005748291 563921272 /nfs/dbraw/zinc/92/12/72/563921272.db2.gz PDZQFAZXTUVHRT-XNTDXEJSSA-N 0 0 312.756 3.746 40 0 DHABRN CCN1C2=C(C(=O)CCC2)C(c2ccco2)C2=C1CCCC2=O ZINC000006953070 563921827 /nfs/dbraw/zinc/92/18/27/563921827.db2.gz RZHOCPMNTREIKH-UHFFFAOYSA-N 0 0 311.381 3.713 40 0 DHABRN CC(=O)c1cn([C@H](C)C(=O)NC2CCCCC2)c2ccccc12 ZINC000006957479 563921847 /nfs/dbraw/zinc/92/18/47/563921847.db2.gz QNKYUHGTWXTVGQ-CYBMUJFWSA-N 0 0 312.413 3.854 40 0 DHABRN Cc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000007008803 563921891 /nfs/dbraw/zinc/92/18/91/563921891.db2.gz YEGAINRBUNXPBA-FBCYGCLPSA-N 0 0 324.262 3.763 40 0 DHABRN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000008041684 563922088 /nfs/dbraw/zinc/92/20/88/563922088.db2.gz XBDVXOFCXRRCAN-MRXNPFEDSA-N 0 0 309.409 3.656 40 0 DHABRN Cc1ccc(C(=O)Sc2nnc(Cc3ccccc3)o2)cc1 ZINC000033611896 563922980 /nfs/dbraw/zinc/92/29/80/563922980.db2.gz XJJZXKWIWUAIKV-UHFFFAOYSA-N 0 0 310.378 3.901 40 0 DHABRN Cc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1Cl ZINC000062204656 563923323 /nfs/dbraw/zinc/92/33/23/563923323.db2.gz YOSKDRQREGWLHT-UHFFFAOYSA-N 0 0 322.836 3.674 40 0 DHABRN Clc1ccnc2c1c(Br)nn2[C@@H]1CCCCO1 ZINC000095631120 563923406 /nfs/dbraw/zinc/92/34/06/563923406.db2.gz QKUFHSZAFGCBAQ-QMMMGPOBSA-N 0 0 316.586 3.546 40 0 DHABRN C1CCC(C2OCC3(CO2)COC(C2CCCCC2)OC3)CC1 ZINC000116270606 563923589 /nfs/dbraw/zinc/92/35/89/563923589.db2.gz FKGIEEDPUQWCAC-UHFFFAOYSA-N 0 0 324.461 3.879 40 0 DHABRN Clc1ccc(CN2CCOC[C@H](Oc3ccccc3)C2)cc1 ZINC000096113199 563935394 /nfs/dbraw/zinc/93/53/94/563935394.db2.gz VVLVBUQJJKACHU-GOSISDBHSA-N 0 0 317.816 3.620 40 0 biogenic,in-vitro DHABRN CCOC(=O)c1cc(Br)c(C)c(Br)c1 ZINC000002525485 563938398 /nfs/dbraw/zinc/93/83/98/563938398.db2.gz PUBRFCQNCOXASI-UHFFFAOYSA-N 0 0 321.996 3.697 40 0 DHABRN O=C(OCc1ccccc1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000002553962 563939016 /nfs/dbraw/zinc/93/90/16/563939016.db2.gz DLEUYEPFFNLJCI-GOSISDBHSA-N 0 0 309.365 3.729 40 0 DHABRN O=C(c1ccc(Cl)cc1Cl)N1CC(=O)Nc2ccccc21 ZINC000003109864 563942187 /nfs/dbraw/zinc/94/21/87/563942187.db2.gz ROOLAGCZWWDRCM-UHFFFAOYSA-N 0 0 321.163 3.592 40 0 DHABRN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000003276754 563943431 /nfs/dbraw/zinc/94/34/31/563943431.db2.gz XJDMALUZDHQWRU-STQMWFEESA-N 0 0 313.850 3.541 40 0 DHABRN Clc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)cc1 ZINC000067898569 563950610 /nfs/dbraw/zinc/95/06/10/563950610.db2.gz YGAGOJFBYCNLAS-INIZCTEOSA-N 0 0 317.820 3.656 40 0 biogenic,in-vitro DHABRN CC(C)(C)Nc1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000328986349 563959761 /nfs/dbraw/zinc/95/97/61/563959761.db2.gz HXQHVFLPVGZJQB-UHFFFAOYSA-N 0 0 319.412 4.493 40 0 DHABRN COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3)o2)cc1 ZINC000063887738 568413202 /nfs/dbraw/zinc/41/32/02/568413202.db2.gz ZXQPPWWUAPYANQ-UHFFFAOYSA-N 0 0 322.364 3.922 40 0 DHABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1 ZINC000255190164 568417123 /nfs/dbraw/zinc/41/71/23/568417123.db2.gz VJOIHOVMAVSBHN-SHTZXODSSA-N 0 0 322.424 3.751 40 0 DHABRN O=C(NC1CC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000054270954 1014173176 /nfs/dbraw/zinc/17/31/76/1014173176.db2.gz AKYGXEPCELJMFT-UHFFFAOYSA-N 0 0 301.773 3.811 40 0 DHABRN Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000214359119 1019318688 /nfs/dbraw/zinc/31/86/88/1019318688.db2.gz PUJFSJUBKFIDCO-RIYZIHGNSA-N 0 0 317.341 3.964 40 0 DHABRN COC(=O)C[C@H](Cc1nc2ccccc2s1)C(F)(F)F ZINC000256052789 1019706355 /nfs/dbraw/zinc/70/63/55/1019706355.db2.gz ORFHKMRGJYAFJV-QMMMGPOBSA-N 0 0 303.305 3.580 40 0 DHABRN Cc1ccccc1CNC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000223261833 1024591012 /nfs/dbraw/zinc/59/10/12/1024591012.db2.gz QIQNKNDOHQFXPP-INIZCTEOSA-N 0 0 323.436 3.958 40 0 DHABRN Cc1ccc(CCC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000228927577 1035628440 /nfs/dbraw/zinc/62/84/40/1035628440.db2.gz XNZAFEHQZXXXKV-UHFFFAOYSA-N 0 0 309.409 3.647 40 0 DHABRN CCOc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1C ZINC000225334527 201695066 /nfs/dbraw/zinc/69/50/66/201695066.db2.gz PAOAIVMMEPSAAY-UHFFFAOYSA-N 0 0 313.397 3.511 40 0 DHABRN O=C(Nc1ccc2c(c1)COCc1cccn1-2)c1cccs1 ZINC000225379663 201698289 /nfs/dbraw/zinc/69/82/89/201698289.db2.gz NVUBXIQDPFQGJG-UHFFFAOYSA-N 0 0 310.378 3.821 40 0 DHABRN CCOC(=O)CCCCOc1cc(F)ccc1Br ZINC000095733954 185383608 /nfs/dbraw/zinc/38/36/08/185383608.db2.gz VCGUFTKUBHCGMM-UHFFFAOYSA-N 0 0 319.170 3.700 40 0 DHABRN COc1ccc(CCNC(=O)CCc2ccc(C)c(C)c2)cc1 ZINC000096621679 185384516 /nfs/dbraw/zinc/38/45/16/185384516.db2.gz GOHCVZIWEIHKBD-UHFFFAOYSA-N 0 0 311.425 3.604 40 0 DHABRN CCc1ccccc1Nc1ccc(C(=O)N2CCCC2)cc1N ZINC000225420249 201705086 /nfs/dbraw/zinc/70/50/86/201705086.db2.gz FPCZNBNBRBUJFG-UHFFFAOYSA-N 0 0 309.413 3.811 40 0 DHABRN Cc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000082334762 185176102 /nfs/dbraw/zinc/17/61/02/185176102.db2.gz KNDQDYBIRWEIRK-UHFFFAOYSA-N 0 0 315.682 3.710 40 0 DHABRN COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)CC2 ZINC000087492983 185226738 /nfs/dbraw/zinc/22/67/38/185226738.db2.gz MZTMCSKWSQDRAX-HNNXBMFYSA-N 0 0 300.354 3.779 40 0 biogenic DHABRN COC(=O)C1(c2ccc(Cl)cc2Cl)CCC(=O)CC1 ZINC000090513061 185300063 /nfs/dbraw/zinc/30/00/63/185300063.db2.gz WFAVFMSVJVTQKH-UHFFFAOYSA-N 0 0 301.169 3.547 40 0 DHABRN Cc1cc(NC(=O)C(C)C)c(C)cc1I ZINC000000568310 190615538 /nfs/dbraw/zinc/61/55/38/190615538.db2.gz RDGJPWKWPKPWBV-UHFFFAOYSA-N 0 0 317.170 3.503 40 0 DHABRN COc1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1OC ZINC000003478886 190617820 /nfs/dbraw/zinc/61/78/20/190617820.db2.gz ODUFCNHEOYMWHW-UHFFFAOYSA-N 0 0 313.397 3.892 40 0 DHABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000005439803 190621147 /nfs/dbraw/zinc/62/11/47/190621147.db2.gz WDKPPLKMEPQGLY-UHFFFAOYSA-N 0 0 314.772 3.719 40 0 DHABRN CC(C)NC(=O)c1cc(N)ccc1Nc1ccccc1Cl ZINC000225469887 201714023 /nfs/dbraw/zinc/71/40/23/201714023.db2.gz UDCKEGRHESWMQY-UHFFFAOYSA-N 0 0 303.793 3.804 40 0 DHABRN CC[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(C)cc1 ZINC000030871503 190656910 /nfs/dbraw/zinc/65/69/10/190656910.db2.gz COVKERRJLQXERW-QGZVFWFLSA-N 0 0 321.417 3.705 40 0 DHABRN CCC[C@@H](C)NC(=O)c1snnc1-c1ccc(Cl)cc1 ZINC000225771661 201744555 /nfs/dbraw/zinc/74/45/55/201744555.db2.gz FSDOPOPYOKTYFV-SECBINFHSA-N 0 0 309.822 3.777 40 0 DHABRN CCc1ccc(NC(=S)NC2(CCOC)CCCC2)cc1 ZINC000225850428 201755467 /nfs/dbraw/zinc/75/54/67/201755467.db2.gz NNHPMYUBDBVLHO-UHFFFAOYSA-N 0 0 306.475 3.885 40 0 DHABRN CCc1nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2n1C ZINC000225895994 201761298 /nfs/dbraw/zinc/76/12/98/201761298.db2.gz DXDXPVXRXCKYMN-CYBMUJFWSA-N 0 0 307.397 3.627 40 0 DHABRN O=C(NCc1ccccc1)c1ccc2sc(Cl)nc2c1 ZINC000225976573 201762832 /nfs/dbraw/zinc/76/28/32/201762832.db2.gz ROKIUFTXLJLOLY-UHFFFAOYSA-N 0 0 302.786 3.880 40 0 DHABRN CCOc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1 ZINC000226034903 201765406 /nfs/dbraw/zinc/76/54/06/201765406.db2.gz FNZSZGDHDUXNSC-UHFFFAOYSA-N 0 0 323.348 3.752 40 0 DHABRN Nc1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 ZINC000072229666 191077205 /nfs/dbraw/zinc/07/72/05/191077205.db2.gz LFRNTQJGVZDQHL-UHFFFAOYSA-N 0 0 309.350 3.877 40 0 DHABRN Cc1cc(-n2cnnc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000072229706 191077297 /nfs/dbraw/zinc/07/72/97/191077297.db2.gz XFPKUQORWQVHIX-UHFFFAOYSA-N 0 0 318.336 3.574 40 0 DHABRN Cc1cccc2cc(C(=O)Nc3ccc4c(c3)OCCO4)oc21 ZINC000148067500 186043187 /nfs/dbraw/zinc/04/31/87/186043187.db2.gz GNKOHUTUQHLECK-UHFFFAOYSA-N 0 0 309.321 3.765 40 0 DHABRN CCCOc1ccc(NC(=O)C(C)(C)Br)cc1C ZINC000225595330 186281413 /nfs/dbraw/zinc/28/14/13/186281413.db2.gz MMKSJNMDXDTXPC-UHFFFAOYSA-N 0 0 314.223 3.896 40 0 DHABRN 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181468487 /nfs/dbraw/zinc/46/84/87/181468487.db2.gz TZJIDYGTBCHDPG-UHFFFAOYSA-N 0 0 303.365 3.507 40 0 DHABRN S=C(NCc1ccccc1)c1ccc(Br)cc1 ZINC000009188065 181606149 /nfs/dbraw/zinc/60/61/49/181606149.db2.gz HSJKJVIZMJCMKV-UHFFFAOYSA-N 0 0 306.228 3.914 40 0 DHABRN CCCCCn1c2ccccc2c(=O)n(C2CCCCC2)c1=O ZINC000009926712 181648203 /nfs/dbraw/zinc/64/82/03/181648203.db2.gz XOORYUJZOAUSPF-UHFFFAOYSA-N 0 0 314.429 3.859 40 0 DHABRN Cc1ccc(C)c(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000011740403 181702581 /nfs/dbraw/zinc/70/25/81/181702581.db2.gz KOCNIRRKDSKTQI-UHFFFAOYSA-N 0 0 322.408 3.991 40 0 DHABRN Cc1ccsc1C=C1NC(=S)N(c2ccccc2C)C1=O ZINC000013547038 181860218 /nfs/dbraw/zinc/86/02/18/181860218.db2.gz KICJAUYJTWQWOR-XFXZXTDPSA-N 0 0 314.435 3.627 40 0 DHABRN COc1cc(C(=S)NCc2ccccc2Cl)ccc1O ZINC000013547329 181860450 /nfs/dbraw/zinc/86/04/50/181860450.db2.gz BWDJBNDTTNEHDU-UHFFFAOYSA-N 0 0 307.802 3.520 40 0 DHABRN Cc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3F)cc2c1 ZINC000013561413 181861676 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CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000015421536 182001188 /nfs/dbraw/zinc/00/11/88/182001188.db2.gz UTUAJKBVMVMPNU-GFCCVEGCSA-N 0 0 314.410 3.764 40 0 DHABRN CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000015648525 182010496 /nfs/dbraw/zinc/01/04/96/182010496.db2.gz JSNXPLQKHIIKME-GUYCJALGSA-N 0 0 301.361 3.861 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)COc1cccc(Cl)c1 ZINC000015966836 182027113 /nfs/dbraw/zinc/02/71/13/182027113.db2.gz YWYZGSOLKCJLKP-GFCCVEGCSA-N 0 0 319.788 3.605 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=S)Nc1ccc(F)cc1 ZINC000016317349 182040245 /nfs/dbraw/zinc/04/02/45/182040245.db2.gz WMKSCSOHWDOXLJ-LLVKDONJSA-N 0 0 304.390 3.882 40 0 DHABRN Cc1nn(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000016266474 182038985 /nfs/dbraw/zinc/03/89/85/182038985.db2.gz KGTUXVCSPXFPNY-UHFFFAOYSA-N 0 0 308.772 3.990 40 0 DHABRN COc1ccccc1CN(C)C(=S)Nc1ccc(C)cc1 ZINC000016313934 182039432 /nfs/dbraw/zinc/03/94/32/182039432.db2.gz QGZWFRFMDLLRFT-UHFFFAOYSA-N 0 0 300.427 3.832 40 0 DHABRN CCCCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000016638794 182054972 /nfs/dbraw/zinc/05/49/72/182054972.db2.gz PFHQCWYLINUFPA-UHFFFAOYSA-N 0 0 303.427 3.990 40 0 DHABRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(C)c(C)c1C ZINC000016780150 182060887 /nfs/dbraw/zinc/06/08/87/182060887.db2.gz PRSMANWZTXJYNC-MRXNPFEDSA-N 0 0 317.454 3.960 40 0 DHABRN O[C@@H](c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000017014066 182067713 /nfs/dbraw/zinc/06/77/13/182067713.db2.gz AXNMHLKVDSMYSA-ZETCQYMHSA-N 0 0 304.398 3.853 40 0 DHABRN Cc1ccc(NC(=S)NCCc2ccc(O)cc2)c(Cl)c1 ZINC000017055593 182072658 /nfs/dbraw/zinc/07/26/58/182072658.db2.gz GUGSVRKWYXWQAW-UHFFFAOYSA-N 0 0 320.845 3.883 40 0 DHABRN Cc1ccc(SCCNC(=O)COc2cccc(C)c2)cc1 ZINC000017341154 182083811 /nfs/dbraw/zinc/08/38/11/182083811.db2.gz BNFNKXLQPMGEJA-UHFFFAOYSA-N 0 0 315.438 3.591 40 0 DHABRN O=C(C1CCCCC1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000019014668 182103474 /nfs/dbraw/zinc/10/34/74/182103474.db2.gz MPRALBKSKFUGEC-OAHLLOKOSA-N 0 0 317.433 3.623 40 0 DHABRN 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Cc1ncsc1-c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019562356 182130638 /nfs/dbraw/zinc/13/06/38/182130638.db2.gz DNOWGOVSOWYEEH-UHFFFAOYSA-N 0 0 314.389 3.781 40 0 DHABRN CCCc1cc(=O)[nH]c(Nc2nc(-c3ccccc3)cs2)n1 ZINC000019819606 182154332 /nfs/dbraw/zinc/15/43/32/182154332.db2.gz PHWQCUZXLDCICO-UHFFFAOYSA-N 0 0 312.398 3.590 40 0 DHABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2)cc1 ZINC000019935113 182167514 /nfs/dbraw/zinc/16/75/14/182167514.db2.gz ZIBDRJUDYIRMLJ-GFCCVEGCSA-N 0 0 319.401 3.804 40 0 DHABRN Cc1cccc(C)c1OCC(=O)Nc1ccc(N)cc1Cl ZINC000020013945 182178489 /nfs/dbraw/zinc/17/84/89/182178489.db2.gz AQXXLAYKBPVNSA-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN COC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2s1 ZINC000020025428 182180252 /nfs/dbraw/zinc/18/02/52/182180252.db2.gz FGWJRKQWSUNOMV-UHFFFAOYSA-N 0 0 301.323 3.533 40 0 DHABRN CCCc1nnc(SCc2nnc(-c3ccc(F)cc3)o2)o1 ZINC000020033877 182181960 /nfs/dbraw/zinc/18/19/60/182181960.db2.gz SKNHFEZJBAGRAM-UHFFFAOYSA-N 0 0 320.349 3.504 40 0 DHABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccco1 ZINC000020045771 182183860 /nfs/dbraw/zinc/18/38/60/182183860.db2.gz KMCQSWCQYZJBDN-GOSISDBHSA-N 0 0 309.365 3.907 40 0 DHABRN Cc1ccc(NC(=O)c2ccccc2Br)c(N)c1 ZINC000020343259 182209834 /nfs/dbraw/zinc/20/98/34/182209834.db2.gz FCZYRKHYUVFEAP-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN Cc1cccc(OCC(=O)Nc2ccc(N)cc2Cl)c1C ZINC000020344423 182209942 /nfs/dbraw/zinc/20/99/42/182209942.db2.gz FUIZXKMZMJSTQJ-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)cc1F ZINC000020482799 182223013 /nfs/dbraw/zinc/22/30/13/182223013.db2.gz ALOOFSDQFVMUIE-MRXNPFEDSA-N 0 0 321.323 3.770 40 0 DHABRN Cc1cccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000020458122 182219928 /nfs/dbraw/zinc/21/99/28/182219928.db2.gz QBRMTEIENOOFPH-CYBMUJFWSA-N 0 0 303.789 3.732 40 0 DHABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccncc1 ZINC000020459701 182220151 /nfs/dbraw/zinc/22/01/51/182220151.db2.gz AKRNODWCOPFMFY-LJQANCHMSA-N 0 0 320.392 3.709 40 0 DHABRN CCCCCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000020609866 182238552 /nfs/dbraw/zinc/23/85/52/182238552.db2.gz JRZPFZPFKQCMGL-UHFFFAOYSA-N 0 0 308.385 3.939 40 0 DHABRN COc1ccc(CN(C)C(=O)c2ccc(C)cc2C)cc1OC ZINC000021912887 182298385 /nfs/dbraw/zinc/29/83/85/182298385.db2.gz SEVYQDPBVITWAD-UHFFFAOYSA-N 0 0 313.397 3.593 40 0 DHABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccccc2)cc1C ZINC000022540283 182325711 /nfs/dbraw/zinc/32/57/11/182325711.db2.gz MHJFNUBUEMDRLY-HNNXBMFYSA-N 0 0 303.427 3.651 40 0 DHABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022540306 182326142 /nfs/dbraw/zinc/32/61/42/182326142.db2.gz ZSCLDNRGHMJKGZ-AWEZNQCLSA-N 0 0 321.417 3.790 40 0 DHABRN CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 ZINC000023742783 182367401 /nfs/dbraw/zinc/36/74/01/182367401.db2.gz VBQRROMATMEESJ-UHFFFAOYSA-N 0 0 323.483 3.866 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000023530219 182363082 /nfs/dbraw/zinc/36/30/82/182363082.db2.gz NOTPDESUEFKEJY-LSDHHAIUSA-N 0 0 313.397 3.648 40 0 DHABRN Cc1cccc(C)c1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000024690914 182387714 /nfs/dbraw/zinc/38/77/14/182387714.db2.gz PEUBSWCVEYPSFV-UHFFFAOYSA-N 0 0 311.381 3.646 40 0 DHABRN COc1c(N)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N ZINC000026509081 182444207 /nfs/dbraw/zinc/44/42/07/182444207.db2.gz XBAFKAMOONZMIX-UHFFFAOYSA-N 0 0 324.167 3.975 40 0 DHABRN CC(C)c1ccccc1OCC(=O)NCCc1cccs1 ZINC000028284498 182519064 /nfs/dbraw/zinc/51/90/64/182519064.db2.gz LGLBPVNLKXAYFQ-UHFFFAOYSA-N 0 0 303.427 3.609 40 0 DHABRN O=C1CC(c2ccc(Br)s2)=Nc2ccccc2N1 ZINC000100853478 193805479 /nfs/dbraw/zinc/80/54/79/193805479.db2.gz LSGXQBSPNZDADA-UHFFFAOYSA-N 0 0 321.199 3.974 40 0 DHABRN CCc1ccccc1N1C(=O)C[C@@H](Nc2c(C)cccc2C)C1=O ZINC000101275665 193809607 /nfs/dbraw/zinc/80/96/07/193809607.db2.gz LLOPQURAICMJQX-MRXNPFEDSA-N 0 0 322.408 3.610 40 0 DHABRN Cc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c(C)c1 ZINC000101275512 193809627 /nfs/dbraw/zinc/80/96/27/193809627.db2.gz MUYXERXQYIBQOR-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1ccccc1O[C@H](C)C(=O)NCCSc1ccccc1 ZINC000038753400 183008620 /nfs/dbraw/zinc/00/86/20/183008620.db2.gz ZSOHSOOJLGOMAU-OAHLLOKOSA-N 0 0 315.438 3.671 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2c(F)cccc2F)C1 ZINC000039953980 183023827 /nfs/dbraw/zinc/02/38/27/183023827.db2.gz FBJJPXYZFIOKRM-LLVKDONJSA-N 0 0 313.344 3.743 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(Oc2cccc(F)c2F)CC1 ZINC000039953932 183023926 /nfs/dbraw/zinc/02/39/26/183023926.db2.gz YQMUITQTFBMXQE-UHFFFAOYSA-N 0 0 313.344 3.743 40 0 DHABRN Fc1ccc(CNc2nc(Cl)ncc2Br)cc1 ZINC000039957241 183024886 /nfs/dbraw/zinc/02/48/86/183024886.db2.gz NZYSAFRLMHEWPV-UHFFFAOYSA-N 0 0 316.561 3.644 40 0 DHABRN COc1ccc([C@@H](O)c2ccccc2Br)cc1C ZINC000040262428 183049308 /nfs/dbraw/zinc/04/93/08/183049308.db2.gz IKAOJWJPBFMGMS-OAHLLOKOSA-N 0 0 307.187 3.848 40 0 DHABRN Cc1ccc(NC(=O)c2cc(N)ccc2N(C)C)c(Cl)c1 ZINC000040302121 183052696 /nfs/dbraw/zinc/05/26/96/183052696.db2.gz TUTIBCKPVNLNML-UHFFFAOYSA-N 0 0 303.793 3.549 40 0 DHABRN COc1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000040946453 183149603 /nfs/dbraw/zinc/14/96/03/183149603.db2.gz FPGLBILXESELLL-UHFFFAOYSA-N 0 0 305.761 3.675 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000040946045 183150082 /nfs/dbraw/zinc/15/00/82/183150082.db2.gz UDPZWXLOWXQSAF-NSHDSACASA-N 0 0 305.761 3.755 40 0 DHABRN O=C(Cc1cccc(-c2nc3ccccc3o2)c1)N1CCCC1 ZINC000041127613 183169775 /nfs/dbraw/zinc/16/97/75/183169775.db2.gz BEFJLUQKUWJKSR-UHFFFAOYSA-N 0 0 306.365 3.660 40 0 DHABRN Cc1cc(Br)cc(C)c1NC(=S)NC(C)C ZINC000044195250 183398004 /nfs/dbraw/zinc/39/80/04/183398004.db2.gz WCYNFPGXQIJWQD-UHFFFAOYSA-N 0 0 301.253 3.761 40 0 DHABRN CCOC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000044200757 183398525 /nfs/dbraw/zinc/39/85/25/183398525.db2.gz MOONXTNJHFUJFM-UHFFFAOYSA-N 0 0 300.354 3.841 40 0 DHABRN [NH3+][C@H](CC(=O)[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000044216764 183398640 /nfs/dbraw/zinc/39/86/40/183398640.db2.gz DEDMBDKHYZMPEV-SNVBAGLBSA-N 0 0 300.141 3.728 40 0 DHABRN Cc1cccc(NC(=S)NCc2nc(-c3ccccc3)no2)c1 ZINC000052410772 183859617 /nfs/dbraw/zinc/85/96/17/183859617.db2.gz WNBRHAOHIVNEJX-UHFFFAOYSA-N 0 0 324.409 3.532 40 0 DHABRN COC(=O)c1cc(C(C)(C)C)cc(Br)c1OC ZINC000057339135 184033642 /nfs/dbraw/zinc/03/36/42/184033642.db2.gz UZZQQWFMJQWCCU-UHFFFAOYSA-N 0 0 301.180 3.542 40 0 DHABRN Fc1ccc(NC(=S)NCCCOC2CCCC2)c(F)c1 ZINC000057815689 184055312 /nfs/dbraw/zinc/05/53/12/184055312.db2.gz VSRORCTUIAZFKL-UHFFFAOYSA-N 0 0 314.401 3.601 40 0 DHABRN COC(=O)c1ccccc1NC(=O)CCSc1ccccc1 ZINC000059244603 184135958 /nfs/dbraw/zinc/13/59/58/184135958.db2.gz IWSSOYZVMHIXKD-UHFFFAOYSA-N 0 0 315.394 3.594 40 0 DHABRN C[C@H]1CCN(C(=O)CN(C)c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000059371421 184137957 /nfs/dbraw/zinc/13/79/57/184137957.db2.gz ZZYOEGPAVVOFKS-JQHSSLGASA-N 0 0 300.446 3.550 40 0 DHABRN Cc1[nH]c2ccc(C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2c1C ZINC000060740467 184154904 /nfs/dbraw/zinc/15/49/04/184154904.db2.gz SMEOTJTWHFSEKI-HNNXBMFYSA-N 0 0 322.412 3.528 40 0 DHABRN O=Cc1cccc(OCc2cc(F)ccc2Br)c1 ZINC000060801934 184155697 /nfs/dbraw/zinc/15/56/97/184155697.db2.gz FFJXTRWSKGAMJW-UHFFFAOYSA-N 0 0 309.134 3.980 40 0 DHABRN CCc1ccc(OCC(=O)NCCSc2ccccc2)cc1 ZINC000060970895 184159040 /nfs/dbraw/zinc/15/90/40/184159040.db2.gz NFUQAEQOKLOHMS-UHFFFAOYSA-N 0 0 315.438 3.536 40 0 DHABRN CCCOc1cccc(C(=O)Nc2ccc(Cl)cc2N)c1 ZINC000061667261 184181813 /nfs/dbraw/zinc/18/18/13/184181813.db2.gz DQVCEUXCWYKOLT-UHFFFAOYSA-N 0 0 304.777 3.963 40 0 DHABRN COc1cc2[nH+]ccc(Nc3cccc(C(=O)[O-])c3)c2cc1OC ZINC000062718722 184250589 /nfs/dbraw/zinc/25/05/89/184250589.db2.gz PEHAUMBUMXAPDN-UHFFFAOYSA-N 0 0 324.336 3.694 40 0 DHABRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000113960006 194623278 /nfs/dbraw/zinc/62/32/78/194623278.db2.gz FJFCMOSGJXWBGW-LRDDRELGSA-N 0 0 319.351 4.000 40 0 DHABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 ZINC000113956343 194623708 /nfs/dbraw/zinc/62/37/08/194623708.db2.gz GWUBMBRWSRFVAY-INIZCTEOSA-N 0 0 321.779 3.953 40 0 DHABRN C[C@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O ZINC000118929788 194942241 /nfs/dbraw/zinc/94/22/41/194942241.db2.gz GKHMLMUXODLNKN-PEACWCRISA-N 0 0 306.490 3.997 40 0 DHABRN Cc1cc(C)cc(OCC(=O)NCCSc2ccccc2)c1 ZINC000008361072 256523698 /nfs/dbraw/zinc/52/36/98/256523698.db2.gz ZVNBOCRIYFWCRI-UHFFFAOYSA-N 0 0 315.438 3.591 40 0 DHABRN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118931231 256585941 /nfs/dbraw/zinc/58/59/41/256585941.db2.gz MQKCILYFKAJWDB-PAPWGAKMSA-N 0 0 302.458 3.837 40 0 DHABRN O=c1c(Cl)c(Cl)c(Cl)nn1-c1cccc(Cl)c1 ZINC000242473278 257120791 /nfs/dbraw/zinc/12/07/91/257120791.db2.gz FEUMGHRTGBAZIG-UHFFFAOYSA-N 0 0 309.967 3.846 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccs2)cc1 ZINC000072221669 257123893 /nfs/dbraw/zinc/12/38/93/257123893.db2.gz BWYJKVGQBFMXCF-HNNXBMFYSA-N 0 0 321.467 3.972 40 0 DHABRN COc1cccc(OC)c1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072221418 257123904 /nfs/dbraw/zinc/12/39/04/257123904.db2.gz ICHLGFKAPWMABS-LBPRGKRZSA-N 0 0 307.390 3.776 40 0 DHABRN Cc1cc(N(C)C)ncc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218678 257125043 /nfs/dbraw/zinc/12/50/43/257125043.db2.gz JTTUFZOITPGJAX-CQSZACIVSA-N 0 0 305.422 3.528 40 0 DHABRN CC(C)(C)OC(=O)N(c1ccc(C2=NCCC2)cn1)C1CC1 ZINC000072215303 257126436 /nfs/dbraw/zinc/12/64/36/257126436.db2.gz NTTYOMMCJIDBDW-UHFFFAOYSA-N 0 0 301.390 3.568 40 0 DHABRN CCN(C(=O)OC(C)(C)C)c1ncccc1C1=NCCCC1 ZINC000072214809 257126710 /nfs/dbraw/zinc/12/67/10/257126710.db2.gz LVZZWPNLWWEYKF-UHFFFAOYSA-N 0 0 303.406 3.816 40 0 DHABRN CCOc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072211807 257127062 /nfs/dbraw/zinc/12/70/62/257127062.db2.gz QVLZNGAVOWEPNQ-AWEZNQCLSA-N 0 0 306.406 3.942 40 0 DHABRN CCOc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072211875 257127628 /nfs/dbraw/zinc/12/76/28/257127628.db2.gz KXXVOEMUMSCGLI-KRWDZBQOSA-N 0 0 310.397 3.848 40 0 DHABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccccc2)c1 ZINC000015827510 257132387 /nfs/dbraw/zinc/13/23/87/257132387.db2.gz OQQZPEJRLKRLQM-KRWDZBQOSA-N 0 0 311.381 3.681 40 0 DHABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c(C)c1 ZINC000059227410 257217261 /nfs/dbraw/zinc/21/72/61/257217261.db2.gz SHZKTFALXWMACX-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN COC[C@@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000070667711 257217321 /nfs/dbraw/zinc/21/73/21/257217321.db2.gz ZWOVLVZZYPDICD-CQSZACIVSA-N 0 0 315.438 3.744 40 0 DHABRN CCOC(=O)CSc1nc(C)cc(-c2ccc(Cl)cc2)n1 ZINC000409385034 257220014 /nfs/dbraw/zinc/22/00/14/257220014.db2.gz ICVVGBHSBWHVCB-UHFFFAOYSA-N 0 0 322.817 3.761 40 0 DHABRN CCCN1C(=O)N/C(=C/c2ccc(OCC)c3ccccc23)C1=O ZINC000409223866 257220661 /nfs/dbraw/zinc/22/06/61/257220661.db2.gz GEDHWWJLEPSIMP-FOWTUZBSSA-N 0 0 324.380 3.541 40 0 DHABRN CCCCc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1 ZINC000409205744 257220957 /nfs/dbraw/zinc/22/09/57/257220957.db2.gz FMAZWPDGKQUHHN-UHFFFAOYSA-N 0 0 308.425 3.984 40 0 DHABRN O=C1S[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409145958 257221686 /nfs/dbraw/zinc/22/16/86/257221686.db2.gz SSHFKSFFAYNFBE-OAHLLOKOSA-N 0 0 315.369 3.632 40 0 DHABRN CCN1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O ZINC000409095994 257222789 /nfs/dbraw/zinc/22/27/89/257222789.db2.gz CDWKGQSXCNUUFO-NTEUORMPSA-N 0 0 305.399 3.778 40 0 DHABRN CCN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O ZINC000409109048 257223059 /nfs/dbraw/zinc/22/30/59/257223059.db2.gz XCGYSMOALARPDF-FNORWQNLSA-N 0 0 318.217 3.567 40 0 DHABRN O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C1CCCCC1 ZINC000409091606 257223692 /nfs/dbraw/zinc/22/36/92/257223692.db2.gz QHSKOGWFSCXFIW-UVTDQMKNSA-N 0 0 304.777 3.565 40 0 DHABRN CCCCN1C(=O)S/C(=C\c2ccccc2OCC)C1=O ZINC000409054014 257224091 /nfs/dbraw/zinc/22/40/91/257224091.db2.gz LNUDZHQQPFCLLE-KAMYIIQDSA-N 0 0 305.399 3.922 40 0 DHABRN CCOC(=O)N[C@H](CC(=O)Nc1ccccc1)c1ccccc1 ZINC000408981617 257224724 /nfs/dbraw/zinc/22/47/24/257224724.db2.gz VYXVXBKYBMCQQT-MRXNPFEDSA-N 0 0 312.369 3.503 40 0 DHABRN CN(C(=S)Nc1ccc2snnc2c1)c1ccccc1 ZINC000408994852 257224761 /nfs/dbraw/zinc/22/47/61/257224761.db2.gz HDKQDWHQZJGUEO-UHFFFAOYSA-N 0 0 300.412 3.525 40 0 DHABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C)o3)S2)cc1 ZINC000408773791 257226611 /nfs/dbraw/zinc/22/66/11/257226611.db2.gz XISNLGUTIPGGRI-MJSCBBHESA-N 0 0 314.410 3.750 40 0 DHABRN CCCc1sc(NC(C)=O)nc1-c1cc(OC)cc(OC)c1 ZINC000408836429 257226904 /nfs/dbraw/zinc/22/69/04/257226904.db2.gz RBHWQDHJJZMYLP-UHFFFAOYSA-N 0 0 320.414 3.738 40 0 DHABRN Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000408713836 257227759 /nfs/dbraw/zinc/22/77/59/257227759.db2.gz AFPFWHVDMAYYBS-UHFFFAOYSA-N 0 0 321.380 3.626 40 0 DHABRN Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1C ZINC000408714037 257228086 /nfs/dbraw/zinc/22/80/86/257228086.db2.gz HCICSUMXYCQPST-UHFFFAOYSA-N 0 0 321.380 3.626 40 0 DHABRN Cc1cc(C=O)c(C)n1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000408565943 257229751 /nfs/dbraw/zinc/22/97/51/257229751.db2.gz CNOXOZYIJZEFTB-UHFFFAOYSA-N 0 0 316.744 3.701 40 0 DHABRN O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cccc(F)c1 ZINC000408530826 257230099 /nfs/dbraw/zinc/23/00/99/257230099.db2.gz RRRODQQWMHCGPR-UHFFFAOYSA-N 0 0 312.275 3.641 40 0 DHABRN COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccccc1 ZINC000408528967 257230262 /nfs/dbraw/zinc/23/02/62/257230262.db2.gz YHFMIJRMEGLSCM-BENRWUELSA-N 0 0 313.309 3.552 40 0 DHABRN CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1ccc(F)cc1 ZINC000005001234 257230617 /nfs/dbraw/zinc/23/06/17/257230617.db2.gz IDWQOXJWQUUUSA-UHFFFAOYSA-N 0 0 314.360 3.732 40 0 DHABRN C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000013790796 257231684 /nfs/dbraw/zinc/23/16/84/257231684.db2.gz MNMCTUKIYBUPTC-LBPRGKRZSA-N 0 0 314.410 3.505 40 0 DHABRN COc1ccc(C)cc1NC(=S)Nc1ccc2c(c1)OCO2 ZINC000013790660 257231694 /nfs/dbraw/zinc/23/16/94/257231694.db2.gz MUZGXPYHEBRFRE-UHFFFAOYSA-N 0 0 316.382 3.541 40 0 DHABRN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2c(c1)CCCC2 ZINC000224313812 257233039 /nfs/dbraw/zinc/23/30/39/257233039.db2.gz BEWPBIPAINZHTI-OAHLLOKOSA-N 0 0 321.420 3.922 40 0 DHABRN CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000000136115 257266508 /nfs/dbraw/zinc/26/65/08/257266508.db2.gz TYGPEXZRJYGQCT-PVAVHDDUSA-N 0 0 315.413 3.858 40 0 DHABRN Cc1nc2ccccc2nc1-c1nnc(-c2ccncc2)s1 ZINC000016265719 331566008 /nfs/dbraw/zinc/56/60/08/331566008.db2.gz RXVCFLPWDZNVBV-UHFFFAOYSA-N 0 0 305.366 3.519 40 0 DHABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1C ZINC000027395420 331605765 /nfs/dbraw/zinc/60/57/65/331605765.db2.gz BPKWECSLPVKOKF-UHFFFAOYSA-N 0 0 310.397 3.696 40 0 DHABRN COCc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000029145553 331610508 /nfs/dbraw/zinc/61/05/08/331610508.db2.gz HAZSGCHUQQSVLN-GFCCVEGCSA-N 0 0 319.788 3.892 40 0 DHABRN COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000029143815 331610590 /nfs/dbraw/zinc/61/05/90/331610590.db2.gz BQJMVRPUOYGTGI-GFCCVEGCSA-N 0 0 319.788 3.892 40 0 DHABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(CC)c2C)C1=O ZINC000409019292 333399023 /nfs/dbraw/zinc/39/90/23/333399023.db2.gz IOHBWFRSOUTCSL-GMROUXNLSA-N 0 0 306.431 3.960 40 0 DHABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000032585597 333416801 /nfs/dbraw/zinc/41/68/01/333416801.db2.gz AXWAKHCPXJEYOI-UHFFFAOYSA-N 0 0 323.389 3.506 40 0 DHABRN COC(=O)[C@H](C(C)C)N1c2cc(OC)ccc2[C@H](C)CC1(C)C ZINC000260619493 333424957 /nfs/dbraw/zinc/42/49/57/333424957.db2.gz NCXCRHORZUETBD-DYVFJYSZSA-N 0 0 319.445 3.985 40 0 DHABRN COC(=O)C(C)(C)N1c2cc(OC)ccc2[C@H](C)CC1(C)C ZINC000260621793 333463390 /nfs/dbraw/zinc/46/33/90/333463390.db2.gz PADLCJHLFSFDEZ-GFCCVEGCSA-N 0 0 305.418 3.739 40 0 DHABRN Cc1cc([C@H](C)NC(=O)NCc2nc(C)c(C)s2)c(C)s1 ZINC000174978675 337143948 /nfs/dbraw/zinc/14/39/48/337143948.db2.gz OCTNMTUAZGAYGA-JTQLQIEISA-N 0 0 323.487 3.999 40 0 DHABRN CCNc1nc(NCCc2ccccc2)cc(C(F)(F)F)n1 ZINC000318288011 528440794 /nfs/dbraw/zinc/44/07/94/528440794.db2.gz JFZVXJBSKBNSDU-UHFFFAOYSA-N 0 0 310.323 3.582 40 0 DHABRN CCCCOC(=O)c1ccc2nc(NC(=O)CC)sc2c1 ZINC000008903180 563645035 /nfs/dbraw/zinc/64/50/35/563645035.db2.gz KCEHCPYDGTXYHL-UHFFFAOYSA-N 0 0 306.387 3.602 40 0 DHABRN CCCC[C@@H](CC)CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000224173622 563739598 /nfs/dbraw/zinc/73/95/98/563739598.db2.gz FSJIKRRNUNPIQM-CYBMUJFWSA-N 0 0 317.882 3.976 40 0 DHABRN Fc1ccc(CCCNC(=S)Nc2cccc(F)c2)cc1 ZINC000225547207 563758708 /nfs/dbraw/zinc/75/87/08/563758708.db2.gz VIOGPIOTTHRBDX-UHFFFAOYSA-N 0 0 306.381 3.884 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cn1 ZINC000225912872 563767329 /nfs/dbraw/zinc/76/73/29/563767329.db2.gz ULOMNICOQHKRDT-SFHVURJKSA-N 0 0 320.433 3.794 40 0 DHABRN Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CCCC[C@H]1C ZINC000216864537 563857195 /nfs/dbraw/zinc/85/71/95/563857195.db2.gz ZWOLKIKNKHACAC-CYBMUJFWSA-N 0 0 303.450 3.941 40 0 DHABRN CCOC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000199552688 563914320 /nfs/dbraw/zinc/91/43/20/563914320.db2.gz FJPKBYSJDRSUNJ-UHFFFAOYSA-N 0 0 312.188 3.749 40 0 DHABRN O=C(NC(=S)NC1CCCCCC1)c1ccccc1Cl ZINC000000146570 563223921 /nfs/dbraw/zinc/22/39/21/563223921.db2.gz BWCGSCOKYCZTEH-UHFFFAOYSA-N 0 0 310.850 3.667 40 0 DHABRN O=C1OC(c2ccco2)=N/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000000177973 563228212 /nfs/dbraw/zinc/22/82/12/563228212.db2.gz DLQGKIOQLWXJIL-YRNVUSSQSA-N 0 0 308.120 3.931 40 0 DHABRN CCSc1ccccc1NS(=O)(=O)Cc1ccccc1 ZINC000030855511 563439602 /nfs/dbraw/zinc/43/96/02/563439602.db2.gz KQCFEFDAFOBFOW-UHFFFAOYSA-N 0 0 307.440 3.741 40 0 DHABRN C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 ZINC000253667257 560039904 /nfs/dbraw/zinc/03/99/04/560039904.db2.gz MBMQEIFVQACCCH-LBPRGKRZSA-N 0 0 318.369 3.580 40 0 endogenous,in-man DHABRN Cc1cccc(-c2nnc(SCc3ccc(C)c(C)c3)n2N)c1 ZINC000000528437 563264701 /nfs/dbraw/zinc/26/47/01/563264701.db2.gz SSIJHFSNCMLDCE-UHFFFAOYSA-N 0 0 324.453 3.876 40 0 DHABRN Cc1ccc(C)c([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2)c1 ZINC000001101794 563277249 /nfs/dbraw/zinc/27/72/49/563277249.db2.gz WWIKTEYXOLBIJN-KRWDZBQOSA-N 0 0 318.376 3.849 40 0 DHABRN CC(C)(C)c1ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c1 ZINC000001587288 563286409 /nfs/dbraw/zinc/28/64/09/563286409.db2.gz UYFQIQRKQOOFRS-UHFFFAOYSA-N 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Cc1cccc(NC(=O)N2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000009877138 563354554 /nfs/dbraw/zinc/35/45/54/563354554.db2.gz CHKMCPWHUPLTOH-UHFFFAOYSA-N 0 0 323.440 3.966 40 0 DHABRN O=C(CCSCc1ccccc1)N1CCc2ccccc2C1 ZINC000010613843 563357457 /nfs/dbraw/zinc/35/74/57/563357457.db2.gz QMEPTVHGUSDSLB-UHFFFAOYSA-N 0 0 311.450 3.895 40 0 DHABRN Oc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1 ZINC000012113764 563361566 /nfs/dbraw/zinc/36/15/66/563361566.db2.gz BTFNTXQQGDTPCI-UHFFFAOYSA-N 0 0 322.393 3.776 40 0 DHABRN CCCNC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000012144851 563362950 /nfs/dbraw/zinc/36/29/50/563362950.db2.gz ZUHIPYWTEZBHMV-HNNXBMFYSA-N 0 0 302.418 3.922 40 0 DHABRN O=C(CCn1c(C(F)F)cc2cccnc21)NC1CCCCC1 ZINC000012187260 563364032 /nfs/dbraw/zinc/36/40/32/563364032.db2.gz WWRGPFRGPCXPPB-UHFFFAOYSA-N 0 0 321.371 3.813 40 0 DHABRN Cc1cc(-c2cnc(NCCc3ccco3)nc2C(C)C)on1 ZINC000012186851 563364075 /nfs/dbraw/zinc/36/40/75/563364075.db2.gz SGPYOLYTKLESLA-UHFFFAOYSA-N 0 0 312.373 3.811 40 0 DHABRN CC[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccc(F)cc1 ZINC000012199948 563364584 /nfs/dbraw/zinc/36/45/84/563364584.db2.gz LXPQQGROJQVJLX-OAHLLOKOSA-N 0 0 315.392 3.794 40 0 DHABRN COc1ccc(/C=C/C(=O)NCCCc2ccc(C)cc2)cc1 ZINC000013672708 563385429 /nfs/dbraw/zinc/38/54/29/563385429.db2.gz PBBAKZWBJHSPCS-SDNWHVSQSA-N 0 0 309.409 3.766 40 0 DHABRN O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1 ZINC000013687056 563385477 /nfs/dbraw/zinc/38/54/77/563385477.db2.gz HVBDVJGBSMFSPI-UHFFFAOYSA-N 0 0 304.349 3.913 40 0 DHABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1 ZINC000013688995 563386389 /nfs/dbraw/zinc/38/63/89/563386389.db2.gz RGNWAZONWULDLY-HNNXBMFYSA-N 0 0 305.377 3.924 40 0 DHABRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000013709669 563386831 /nfs/dbraw/zinc/38/68/31/563386831.db2.gz QBLCLNDWJTVJIE-CYBMUJFWSA-N 0 0 315.800 3.692 40 0 DHABRN CCc1cccc(C)c1NS(=O)(=O)c1cc(C)ccc1C ZINC000014255544 563399660 /nfs/dbraw/zinc/39/96/60/563399660.db2.gz PVNYNEKLDMWMPY-UHFFFAOYSA-N 0 0 303.427 3.975 40 0 DHABRN CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000014910603 563404258 /nfs/dbraw/zinc/40/42/58/563404258.db2.gz WUXVAHYQHQJJBI-UHFFFAOYSA-N 0 0 324.424 3.867 40 0 DHABRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 ZINC000015028432 563405950 /nfs/dbraw/zinc/40/59/50/563405950.db2.gz USMZHYIGIRFLCC-GFCCVEGCSA-N 0 0 317.410 3.823 40 0 DHABRN C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000026754556 563426778 /nfs/dbraw/zinc/42/67/78/563426778.db2.gz DZTOLFTWRJJYKS-ZIAGYGMSSA-N 0 0 301.361 3.513 40 0 DHABRN O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027380112 563428150 /nfs/dbraw/zinc/42/81/50/563428150.db2.gz KKUPGGATJAVMQL-JJXSEGSLSA-N 0 0 324.424 3.970 40 0 DHABRN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@H](C)O)c1 ZINC000027792430 563430185 /nfs/dbraw/zinc/43/01/85/563430185.db2.gz FLWWKKHGFWAINF-HNNXBMFYSA-N 0 0 310.397 3.785 40 0 DHABRN O=C(CCc1ccc(Cl)cc1Cl)NCc1cccnc1 ZINC000030522689 563437118 /nfs/dbraw/zinc/43/71/18/563437118.db2.gz BTVUITUESQTLNJ-UHFFFAOYSA-N 0 0 309.196 3.637 40 0 DHABRN COc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 ZINC000030697875 563437565 /nfs/dbraw/zinc/43/75/65/563437565.db2.gz KGBITJAKXSMOTK-UHFFFAOYSA-N 0 0 321.380 3.501 40 0 DHABRN Cc1ccc([C@@H](C)NC(=O)COc2ccccc2Cl)cc1 ZINC000030848430 563438620 /nfs/dbraw/zinc/43/86/20/563438620.db2.gz HHNGJKFBMQOXFR-CYBMUJFWSA-N 0 0 303.789 3.905 40 0 DHABRN Cc1ccc(CN(C)C(=O)COc2ccccc2Cl)cc1 ZINC000030856244 563439344 /nfs/dbraw/zinc/43/93/44/563439344.db2.gz AXDBAOILHKVUFF-UHFFFAOYSA-N 0 0 303.789 3.686 40 0 DHABRN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@H]1CCC(=O)O2 ZINC000033860448 563446284 /nfs/dbraw/zinc/44/62/84/563446284.db2.gz SZKJPNYYJWKGMH-UJFJXTSXSA-N 0 0 306.446 3.686 40 0 DHABRN Cc1cc(Nc2ccc3c(c2)OCO3)n2c3ccccc3nc2n1 ZINC000035314622 563452680 /nfs/dbraw/zinc/45/26/80/563452680.db2.gz BBLUAKZBQUBEHS-UHFFFAOYSA-N 0 0 318.336 3.663 40 0 DHABRN COC(=O)c1cc(NC(=O)NC2CCCCC2)ccc1Cl ZINC000036110549 563454791 /nfs/dbraw/zinc/45/47/91/563454791.db2.gz WURQXTKLLSJHFV-UHFFFAOYSA-N 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3.550 40 0 DHABRN CCOc1cccc(CNC(=O)Cc2ccccc2Cl)c1 ZINC000048376964 563466419 /nfs/dbraw/zinc/46/64/19/563466419.db2.gz QABYBDYRICDIPI-UHFFFAOYSA-N 0 0 303.789 3.598 40 0 DHABRN Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccccc1F ZINC000055694049 563477372 /nfs/dbraw/zinc/47/73/72/563477372.db2.gz GMNOGZNLLMNPFZ-OAHLLOKOSA-N 0 0 315.388 3.650 40 0 DHABRN COCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1 ZINC000057615196 563477889 /nfs/dbraw/zinc/47/78/89/563477889.db2.gz DPTOCCSKVRHFIQ-UHFFFAOYSA-N 0 0 321.760 3.726 40 0 DHABRN Cc1cc(I)cc(F)c1Br ZINC000067802767 563491150 /nfs/dbraw/zinc/49/11/50/563491150.db2.gz SZIQBXWYIWHBKJ-UHFFFAOYSA-N 0 0 314.923 3.501 40 0 DHABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000069430598 563496536 /nfs/dbraw/zinc/49/65/36/563496536.db2.gz BKGJAQIGAWSMPG-AWEZNQCLSA-N 0 0 311.381 3.566 40 0 DHABRN O=Cc1cn(C(F)(F)C(F)(F)Br)c2ccccc12 ZINC000070450798 563497760 /nfs/dbraw/zinc/49/77/60/563497760.db2.gz NBSXBHSRHRLGFS-UHFFFAOYSA-N 0 0 324.071 3.991 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(c2[nH]nc3ccccc32)CC1 ZINC000071257569 563498490 /nfs/dbraw/zinc/49/84/90/563498490.db2.gz XVOLPXSAAZXUSP-UHFFFAOYSA-N 0 0 301.390 3.677 40 0 DHABRN CCOc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 ZINC000000038171 563498503 /nfs/dbraw/zinc/49/85/03/563498503.db2.gz GPEFVBWQQBDXEM-ZWKOTPCHSA-N 0 0 320.396 3.823 40 0 DHABRN COc1cc2ncnc(Cc3cccc(Cl)c3)c2cc1OC ZINC000071607034 563499981 /nfs/dbraw/zinc/49/99/81/563499981.db2.gz DOBKKEHYAFERJH-UHFFFAOYSA-N 0 0 314.772 3.891 40 0 DHABRN CC(C)(C)OC(=O)n1ncc2cc(F)c(Br)cc21 ZINC000071790120 563501572 /nfs/dbraw/zinc/50/15/72/563501572.db2.gz PYSWPZXWCOIKDK-UHFFFAOYSA-N 0 0 315.142 3.721 40 0 DHABRN Cc1cccc(NC(=O)Cc2cccc(Br)c2)c1 ZINC000072064073 563501938 /nfs/dbraw/zinc/50/19/38/563501938.db2.gz XYCCZOJZKBSANR-UHFFFAOYSA-N 0 0 304.187 3.939 40 0 DHABRN Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 ZINC000072064035 563502015 /nfs/dbraw/zinc/50/20/15/563502015.db2.gz OJDFYEWYGSZIJW-UHFFFAOYSA-N 0 0 304.187 3.939 40 0 DHABRN Cc1nc(NC(=O)OCc2ccccc2)ccc1Br ZINC000089228894 563524232 /nfs/dbraw/zinc/52/42/32/563524232.db2.gz MZGWZEXVWNBNSM-UHFFFAOYSA-N 0 0 321.174 3.901 40 0 DHABRN COC(=O)CN1CCc2ccsc2[C@@H]1c1ccccc1Cl ZINC000095921530 563530504 /nfs/dbraw/zinc/53/05/04/563530504.db2.gz KLDKOFAUCQHGNF-HNNXBMFYSA-N 0 0 321.829 3.522 40 0 DHABRN C[C@H]1C[C@H]2CN(C(=O)c3ccc(F)c4ccccc34)CC[C@@H]2O1 ZINC000096045966 563532583 /nfs/dbraw/zinc/53/25/83/563532583.db2.gz IPCUORGAAQDZFD-LXIYXOSZSA-N 0 0 313.372 3.618 40 0 DHABRN Cc1ccc(CN2CCCn3cnc(COC(C)C)c3C2)s1 ZINC000096059048 563532658 /nfs/dbraw/zinc/53/26/58/563532658.db2.gz GWDYTRNEIKQRRC-UHFFFAOYSA-N 0 0 319.474 3.584 40 0 DHABRN CCCNC(=O)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 ZINC000096154291 563534898 /nfs/dbraw/zinc/53/48/98/563534898.db2.gz WTWKKXMNVOMJDC-UHFFFAOYSA-N 0 0 311.341 3.500 40 0 DHABRN Cc1cccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)c1C ZINC000101275273 563556899 /nfs/dbraw/zinc/55/68/99/563556899.db2.gz YYRXKJUOQZFSMZ-MRXNPFEDSA-N 0 0 322.408 3.664 40 0 DHABRN CC1CC(COc2cccc(I)c2)C1 ZINC000085393080 563569196 /nfs/dbraw/zinc/56/91/96/563569196.db2.gz VROAGVJOOZMQRZ-UHFFFAOYSA-N 0 0 302.155 3.716 40 0 DHABRN CCOc1cc(-c2nnc(-c3cccc(Cl)c3)[nH]2)ccc1O ZINC000085384591 563568938 /nfs/dbraw/zinc/56/89/38/563568938.db2.gz SWLPNZRZNIXXKI-UHFFFAOYSA-N 0 0 315.760 3.896 40 0 DHABRN CCOc1cc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)ccc1O ZINC000085384599 563569025 /nfs/dbraw/zinc/56/90/25/563569025.db2.gz VGICGYLZDFTCJX-UHFFFAOYSA-N 0 0 315.760 3.896 40 0 DHABRN CC(C)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000044902483 563571020 /nfs/dbraw/zinc/57/10/20/563571020.db2.gz ISMSYLDLXAWKED-KRWDZBQOSA-N 0 0 303.427 3.752 40 0 DHABRN Cc1cccc(N2C(=O)c3cccc4c(N)ccc(c43)C2=O)c1 ZINC000000190454 563576900 /nfs/dbraw/zinc/57/69/00/563576900.db2.gz MLLVHVJMZPTGNK-UHFFFAOYSA-N 0 0 302.333 3.531 40 0 DHABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000113942764 563585294 /nfs/dbraw/zinc/58/52/94/563585294.db2.gz FYGRRMJCWXSLRE-KGLIPLIRSA-N 0 0 301.361 3.779 40 0 DHABRN Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000113948566 563585311 /nfs/dbraw/zinc/58/53/11/563585311.db2.gz QIOJJCXDPCMINK-ZIAGYGMSSA-N 0 0 301.361 3.779 40 0 DHABRN CCc1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1OC ZINC000113970882 563587020 /nfs/dbraw/zinc/58/70/20/563587020.db2.gz REGUDPLWLOIVPT-UHFFFAOYSA-N 0 0 319.426 3.675 40 0 DHABRN CCc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1OC ZINC000113971320 563587089 /nfs/dbraw/zinc/58/70/89/563587089.db2.gz XRHQPZFTSYQIJM-UHFFFAOYSA-N 0 0 319.426 3.675 40 0 DHABRN CC(C)OCCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000006307138 563592552 /nfs/dbraw/zinc/59/25/52/563592552.db2.gz OLCDVGPGARYDGS-LBPRGKRZSA-N 0 0 315.866 3.752 40 0 DHABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H]1C=NN=C12 ZINC000118917954 563593506 /nfs/dbraw/zinc/59/35/06/563593506.db2.gz ZOWUNTLIFRDPAL-PUDAYMCYSA-N 0 0 312.457 3.977 40 0 DHABRN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)cc1 ZINC000000307674 563607702 /nfs/dbraw/zinc/60/77/02/563607702.db2.gz UBPGAGHLBNQINO-QGZVFWFLSA-N 0 0 324.380 3.597 40 0 DHABRN CCN(CC)C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000000410614 563608076 /nfs/dbraw/zinc/60/80/76/563608076.db2.gz GMZXCJKRGUDCJG-UHFFFAOYSA-N 0 0 323.487 3.577 40 0 DHABRN Cc1cc(C)nc(S[C@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000000411791 563608207 /nfs/dbraw/zinc/60/82/07/563608207.db2.gz WGCDVVKBMZJFSU-CQSZACIVSA-N 0 0 315.442 3.830 40 0 DHABRN CCSc1nnc2c3c4c(sc3nc(CC)n12)CCCC4 ZINC000000413756 563609078 /nfs/dbraw/zinc/60/90/78/563609078.db2.gz AUALEVOHTNICKK-UHFFFAOYSA-N 0 0 318.471 3.892 40 0 DHABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SC)cc1 ZINC000000422203 563609484 /nfs/dbraw/zinc/60/94/84/563609484.db2.gz ORHVLUXCGULNIQ-UHFFFAOYSA-N 0 0 311.410 3.589 40 0 DHABRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1COc2ccccc2O1 ZINC000000563657 563609878 /nfs/dbraw/zinc/60/98/78/563609878.db2.gz SBTKJRXGVZQUHF-AWEZNQCLSA-N 0 0 324.163 3.772 40 0 DHABRN CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000002539903 563616101 /nfs/dbraw/zinc/61/61/01/563616101.db2.gz BWCGTKNHQHVNQX-SJORKVTESA-N 0 0 313.397 3.986 40 0 DHABRN CC(=O)C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000258796 563616124 /nfs/dbraw/zinc/61/61/24/563616124.db2.gz VIPXFWAEAQHKHN-INIZCTEOSA-N 0 0 322.813 3.834 40 0 DHABRN CCCn1c2ccccc2nc1C(=O)c1ccc(OC)c(OC)c1 ZINC000000862241 563616306 /nfs/dbraw/zinc/61/63/06/563616306.db2.gz AIKNHGZDDGEJJS-UHFFFAOYSA-N 0 0 324.380 3.695 40 0 DHABRN C[C@]12CC[C@@H]3C[C@@]1(C(=O)Nc1cccc(Cl)c1)OC[C@@]32C ZINC000000407371 563630281 /nfs/dbraw/zinc/63/02/81/563630281.db2.gz CQZAMSSVBQSDID-BEMMVCDISA-N 0 0 305.805 3.874 40 0 DHABRN COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)O1 ZINC000000430600 563630482 /nfs/dbraw/zinc/63/04/82/563630482.db2.gz IZYYKMAGQHQDCA-GXDHUFHOSA-N 0 0 313.740 3.693 40 0 DHABRN COC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1Cl ZINC000000563076 563631349 /nfs/dbraw/zinc/63/13/49/563631349.db2.gz TZJVQIHEUBEQEW-UHFFFAOYSA-N 0 0 317.772 3.698 40 0 DHABRN O=C(CCc1ccc(F)cc1)NCCCc1ccc(F)cc1 ZINC000165644535 563638629 /nfs/dbraw/zinc/63/86/29/563638629.db2.gz BRBQIVNUGCDHSY-UHFFFAOYSA-N 0 0 303.352 3.646 40 0 DHABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1F ZINC000008041356 563640916 /nfs/dbraw/zinc/64/09/16/563640916.db2.gz WDZZGIREWHPYSZ-AWEZNQCLSA-N 0 0 303.333 3.630 40 0 DHABRN C[C@@H](Nc1nnnn1-c1ccccc1)c1cccc2ccccc21 ZINC000007980840 563641163 /nfs/dbraw/zinc/64/11/63/563641163.db2.gz MKDDDDMAOSKQAX-CQSZACIVSA-N 0 0 315.380 3.989 40 0 DHABRN CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000008216879 563641546 /nfs/dbraw/zinc/64/15/46/563641546.db2.gz SITOGCRYHCBKHG-INIZCTEOSA-N 0 0 322.408 3.549 40 0 DHABRN CCc1n[nH]c(=S)n1NCc1c(Cl)cccc1Cl ZINC000008338968 563642381 /nfs/dbraw/zinc/64/23/81/563642381.db2.gz WBNSOVFNNQOCFS-UHFFFAOYSA-N 0 0 303.218 3.554 40 0 DHABRN CCc1n[nH]c(=S)n1NCc1cccc(Cl)c1Cl ZINC000008339368 563642393 /nfs/dbraw/zinc/64/23/93/563642393.db2.gz YEXCYHICJNGPTM-UHFFFAOYSA-N 0 0 303.218 3.554 40 0 DHABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1C ZINC000008571535 563643724 /nfs/dbraw/zinc/64/37/24/563643724.db2.gz AMRGDCOSOOXTEM-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN CCCC(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000009140829 563645033 /nfs/dbraw/zinc/64/50/33/563645033.db2.gz ZNWLWCQDPZOHQO-UHFFFAOYSA-N 0 0 324.755 3.972 40 0 DHABRN C[C@@H]1CCCN(C(=O)CSCc2c(F)cccc2Cl)C1 ZINC000010541092 563649080 /nfs/dbraw/zinc/64/90/80/563649080.db2.gz OGCPODOKAJJTRC-LLVKDONJSA-N 0 0 315.841 3.971 40 0 DHABRN COc1ccc2cc(CNc3c(C)cccc3C)c(=O)[nH]c2c1 ZINC000012493308 563652640 /nfs/dbraw/zinc/65/26/40/563652640.db2.gz UNMQEWJNMQNJAG-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN Cc1cc(C)cc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1 ZINC000113960532 563658279 /nfs/dbraw/zinc/65/82/79/563658279.db2.gz LGVFZTRIAZBKAO-CQSZACIVSA-N 0 0 309.475 3.719 40 0 DHABRN COc1ccc2cc(CNc3ccc(C)c(F)c3)c(=O)[nH]c2c1 ZINC000013561421 563660559 /nfs/dbraw/zinc/66/05/59/563660559.db2.gz FXJXJKFCHVPXBH-UHFFFAOYSA-N 0 0 312.344 3.596 40 0 DHABRN CCCCC(=O)NC(=S)Nc1nc2c(s1)c(C)ccc2C ZINC000014257655 563666146 /nfs/dbraw/zinc/66/61/46/563666146.db2.gz DCZIFTDMAJLATO-UHFFFAOYSA-N 0 0 321.471 3.916 40 0 DHABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C ZINC000014398307 563667686 /nfs/dbraw/zinc/66/76/86/563667686.db2.gz MVNRXTSTUNSWCO-NSHDSACASA-N 0 0 315.866 3.755 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000014398956 563667722 /nfs/dbraw/zinc/66/77/22/563667722.db2.gz LDHFTGJBAJFCJH-IRXDYDNUSA-N 0 0 311.425 3.900 40 0 DHABRN C[C@@H]1CN1P(=O)(Oc1cccc2ccccc21)N1C[C@H]1C ZINC000016991413 563670394 /nfs/dbraw/zinc/67/03/94/563670394.db2.gz VHFHHVZUPGCQJK-RMYDXBPQSA-N 0 0 302.314 3.735 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 ZINC000015331033 563674486 /nfs/dbraw/zinc/67/44/86/563674486.db2.gz ZFBIFKVWOGRILH-ZDUSSCGKSA-N 0 0 303.789 3.732 40 0 DHABRN Cc1ccc(NC(=S)NC(C)(C)C)c(Br)c1 ZINC000054922519 563675777 /nfs/dbraw/zinc/67/57/77/563675777.db2.gz VTHWAVFJXRTXDF-UHFFFAOYSA-N 0 0 301.253 3.842 40 0 DHABRN O=C(Nc1ccccc1O)c1ccc(COc2ccccc2)o1 ZINC000198119185 563679095 /nfs/dbraw/zinc/67/90/95/563679095.db2.gz LCIPYGUWBBPTMU-UHFFFAOYSA-N 0 0 309.321 3.817 40 0 DHABRN Nc1nnc(-c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)o1 ZINC000216837827 563711478 /nfs/dbraw/zinc/71/14/78/563711478.db2.gz KDCTYCYJDIZICR-UHFFFAOYSA-N 0 0 312.716 3.780 40 0 DHABRN Cc1cccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000218923624 563717674 /nfs/dbraw/zinc/71/76/74/563717674.db2.gz PAVBKMMXEBIQGN-UHFFFAOYSA-N 0 0 317.816 3.960 40 0 DHABRN CCOc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000219953628 563722263 /nfs/dbraw/zinc/72/22/63/563722263.db2.gz RFHSFYWHAARUCP-UHFFFAOYSA-N 0 0 313.397 3.803 40 0 DHABRN CCOc1ccc(C(=O)NCCSC2CCCCC2)cc1 ZINC000219952743 563722359 /nfs/dbraw/zinc/72/23/59/563722359.db2.gz SAJRAQZWVFJBNJ-UHFFFAOYSA-N 0 0 307.459 3.881 40 0 DHABRN Cc1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1Cl ZINC000222563652 563725971 /nfs/dbraw/zinc/72/59/71/563725971.db2.gz XRUIFIOMVAZBMC-UHFFFAOYSA-N 0 0 301.777 3.877 40 0 DHABRN CC[C@@H](Oc1ccccc1)C(=O)NCCSC1CCCC1 ZINC000222786806 563727819 /nfs/dbraw/zinc/72/78/19/563727819.db2.gz IFYIXRFARNRGSP-MRXNPFEDSA-N 0 0 307.459 3.636 40 0 DHABRN CCc1ccc(CC)c(CNC(=O)COc2ccccc2C)c1 ZINC000222821181 563728543 /nfs/dbraw/zinc/72/85/43/563728543.db2.gz MKBFHUORIMDNBF-UHFFFAOYSA-N 0 0 311.425 3.815 40 0 DHABRN Cc1ccc(OCC(=O)NCCCc2ccc(F)cc2)c(C)c1 ZINC000222826157 563728708 /nfs/dbraw/zinc/72/87/08/563728708.db2.gz YYZXLTHAUDGHPW-UHFFFAOYSA-N 0 0 315.388 3.570 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)NCCSC1CCCC1 ZINC000222944477 563729675 /nfs/dbraw/zinc/72/96/75/563729675.db2.gz BBCMZGMSTYMRSZ-CQSZACIVSA-N 0 0 321.486 3.808 40 0 DHABRN O=C(C1CCCCC1)N1CCc2cc(Br)ccc21 ZINC000222972108 563729745 /nfs/dbraw/zinc/72/97/45/563729745.db2.gz FMWBCDUOCZZGIQ-UHFFFAOYSA-N 0 0 308.219 3.919 40 0 DHABRN Cc1ccccc1OCC(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000223146858 563731035 /nfs/dbraw/zinc/73/10/35/563731035.db2.gz ZZSGBROYKOMVFH-OAHLLOKOSA-N 0 0 309.409 3.740 40 0 DHABRN COC(=O)[C@H](C(C)C)N1c2c(OC)cccc2C(C)=CC1(C)C ZINC000223211788 563731907 /nfs/dbraw/zinc/73/19/07/563731907.db2.gz JYSONXCAGMISOU-INIZCTEOSA-N 0 0 317.429 3.895 40 0 DHABRN C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000223225867 563732492 /nfs/dbraw/zinc/73/24/92/563732492.db2.gz YWOGRDQOZXBXMA-GJZGRUSLSA-N 0 0 309.409 3.820 40 0 DHABRN COc1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1 ZINC000223341117 563733522 /nfs/dbraw/zinc/73/35/22/563733522.db2.gz OKNGCXUQODUMNB-UHFFFAOYSA-N 0 0 311.381 3.592 40 0 DHABRN CCOC(=O)c1sc(Nc2cccc(C(C)=O)c2)nc1C ZINC000223452986 563733888 /nfs/dbraw/zinc/73/38/88/563733888.db2.gz MSENNVKKRJVRAJ-UHFFFAOYSA-N 0 0 304.371 3.574 40 0 DHABRN CCOC(=O)c1sc(Nc2cc(C)ccc2OC)nc1C ZINC000223452828 563734158 /nfs/dbraw/zinc/73/41/58/563734158.db2.gz OIEHDBNDPTXKHQ-UHFFFAOYSA-N 0 0 306.387 3.689 40 0 DHABRN COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(C)C ZINC000223653307 563735345 /nfs/dbraw/zinc/73/53/45/563735345.db2.gz SCHDGFQTQBMKKB-UHFFFAOYSA-N 0 0 319.426 3.644 40 0 DHABRN CCCNC(=S)Nc1ncc(Cl)c(C)c1Br ZINC000223870441 563737267 /nfs/dbraw/zinc/73/72/67/563737267.db2.gz GGELTNFURPEZOS-UHFFFAOYSA-N 0 0 322.659 3.502 40 0 DHABRN Cc1cccc(OCCNC(=S)Nc2ccccc2)c1C ZINC000223898141 563737980 /nfs/dbraw/zinc/73/79/80/563737980.db2.gz WOIFXVXOSLQQFX-UHFFFAOYSA-N 0 0 300.427 3.669 40 0 DHABRN COc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1C ZINC000224022265 563738671 /nfs/dbraw/zinc/73/86/71/563738671.db2.gz RBTAQHVRMRKEGJ-OAHLLOKOSA-N 0 0 313.397 3.509 40 0 DHABRN Cc1ccc(C)c(OCCNC(=O)Cc2cccc(Cl)c2)c1 ZINC000224045516 563739259 /nfs/dbraw/zinc/73/92/59/563739259.db2.gz XLJLIXPFXBANJH-UHFFFAOYSA-N 0 0 317.816 3.695 40 0 DHABRN CCCNC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 ZINC000224118342 563739429 /nfs/dbraw/zinc/73/94/29/563739429.db2.gz PKAYMLLZVZAGIK-UHFFFAOYSA-N 0 0 313.397 3.722 40 0 DHABRN Cc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1Cl ZINC000224186282 563739708 /nfs/dbraw/zinc/73/97/08/563739708.db2.gz LWRYQKQZXYDBIN-UHFFFAOYSA-N 0 0 321.779 3.525 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)c1ccccc1OC(C)C ZINC000224168242 563739752 /nfs/dbraw/zinc/73/97/52/563739752.db2.gz YCWLFKLMGNXBCP-CQSZACIVSA-N 0 0 313.397 3.973 40 0 DHABRN CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccccc1OC ZINC000224599817 563742714 /nfs/dbraw/zinc/74/27/14/563742714.db2.gz HOXOUCUKBXAZHP-CABCVRRESA-N 0 0 307.434 3.795 40 0 DHABRN CCc1ccc(CC(=O)Nc2cc(C(=O)OC)ccc2C)cc1 ZINC000224574399 563742828 /nfs/dbraw/zinc/74/28/28/563742828.db2.gz IPEFJLQAOKVPTD-UHFFFAOYSA-N 0 0 311.381 3.525 40 0 DHABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000224619085 563743294 /nfs/dbraw/zinc/74/32/94/563743294.db2.gz INENMLOUCXYHKQ-GOSISDBHSA-N 0 0 315.388 3.650 40 0 DHABRN CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224631319 563743412 /nfs/dbraw/zinc/74/34/12/563743412.db2.gz FHEVZZDQJLITCG-UHFFFAOYSA-N 0 0 319.426 3.527 40 0 DHABRN COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 ZINC000224604865 563743422 /nfs/dbraw/zinc/74/34/22/563743422.db2.gz WWVIETRHFSYCDA-OAHLLOKOSA-N 0 0 313.397 3.856 40 0 DHABRN CC(=O)c1cccc(NC(=O)COc2cccc3c2CCCC3)c1 ZINC000224792955 563744270 /nfs/dbraw/zinc/74/42/70/563744270.db2.gz RTFBPZODAORFQU-UHFFFAOYSA-N 0 0 323.392 3.786 40 0 DHABRN CCOc1ccc(C(=O)NC2CCCC2)cc1COCC(C)C ZINC000224734308 563744279 /nfs/dbraw/zinc/74/42/79/563744279.db2.gz SBIYFXHRMQSTKF-UHFFFAOYSA-N 0 0 319.445 3.930 40 0 DHABRN CCc1ccc(CC(=O)NCCCOC2CCCCC2)cc1 ZINC000224729687 563744297 /nfs/dbraw/zinc/74/42/97/563744297.db2.gz GVTPLUSQQTYWOF-UHFFFAOYSA-N 0 0 303.446 3.647 40 0 DHABRN CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224848983 563745020 /nfs/dbraw/zinc/74/50/20/563745020.db2.gz FMNLPVFMWYZWPL-UHFFFAOYSA-N 0 0 319.426 3.527 40 0 DHABRN CCCSc1nnc(NC(=O)Cc2ccc(C)c(C)c2)s1 ZINC000225115813 563749281 /nfs/dbraw/zinc/74/92/81/563749281.db2.gz WWWCHTRLTRKEEX-UHFFFAOYSA-N 0 0 321.471 3.838 40 0 DHABRN COc1ccc(CCC(=O)NC[C@@H](C)c2ccccc2)cc1C ZINC000225135295 563749773 /nfs/dbraw/zinc/74/97/73/563749773.db2.gz YMSBLYAWRXZLJZ-MRXNPFEDSA-N 0 0 311.425 3.856 40 0 DHABRN CCCc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1 ZINC000225194412 563750167 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/nfs/dbraw/zinc/76/11/22/563761122.db2.gz ZYCDCPLFYWTSJP-SFHVURJKSA-N 0 0 305.418 3.928 40 0 DHABRN CC(C)c1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000225718445 563761408 /nfs/dbraw/zinc/76/14/08/563761408.db2.gz XVCXETUJFHFQNE-UHFFFAOYSA-N 0 0 320.392 3.764 40 0 DHABRN COCCC1(NC(=S)Nc2cc(C)ccc2C)CCCC1 ZINC000225842278 563764880 /nfs/dbraw/zinc/76/48/80/563764880.db2.gz HCRGIUPRNFNKHN-UHFFFAOYSA-N 0 0 306.475 3.939 40 0 DHABRN CCCOc1ncc(NC(=O)[C@](C)(CC(C)C)OC)cc1C ZINC000225883400 563765855 /nfs/dbraw/zinc/76/58/55/563765855.db2.gz CXLVSSGBZLECLD-KRWDZBQOSA-N 0 0 308.422 3.569 40 0 DHABRN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)nc1C ZINC000225886780 563765891 /nfs/dbraw/zinc/76/58/91/563765891.db2.gz BDACXARLYLSADL-QGZVFWFLSA-N 0 0 308.422 3.713 40 0 DHABRN CCOC1(C(=O)Nc2ccc(OC)c3ncccc23)CCCC1 ZINC000225898741 563766599 /nfs/dbraw/zinc/76/65/99/563766599.db2.gz XCSDHISQDCEHST-UHFFFAOYSA-N 0 0 314.385 3.531 40 0 DHABRN CCCOC1(C(=O)Nc2cnc(OC)c(C)c2)CCC(C)CC1 ZINC000225912448 563766909 /nfs/dbraw/zinc/76/69/09/563766909.db2.gz ZZAJZIFMAVDATP-UHFFFAOYSA-N 0 0 320.433 3.713 40 0 DHABRN CCC[C@@H](C)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 ZINC000225914042 563766923 /nfs/dbraw/zinc/76/69/23/563766923.db2.gz ANHVWSWOPDQMQY-GFCCVEGCSA-N 0 0 312.417 3.755 40 0 DHABRN CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c(C)n1 ZINC000225899038 563767101 /nfs/dbraw/zinc/76/71/01/563767101.db2.gz JVRBSXURXLAIAQ-UHFFFAOYSA-N 0 0 320.433 3.857 40 0 DHABRN CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c2ncccc12 ZINC000225904157 563767144 /nfs/dbraw/zinc/76/71/44/563767144.db2.gz KIFJZDGUOWKKJM-SFHVURJKSA-N 0 0 316.401 3.777 40 0 DHABRN CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)c(C)n1 ZINC000225909098 563767256 /nfs/dbraw/zinc/76/72/56/563767256.db2.gz GQANTKNLGMTLLF-UHFFFAOYSA-N 0 0 320.433 3.857 40 0 DHABRN Cc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000225900267 563767339 /nfs/dbraw/zinc/76/73/39/563767339.db2.gz VFCOZNWHKAKAAZ-UHFFFAOYSA-N 0 0 310.328 3.719 40 0 DHABRN CCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000014258037 563774521 /nfs/dbraw/zinc/77/45/21/563774521.db2.gz RNXYQPMAUQRRLN-UHFFFAOYSA-N 0 0 320.414 3.956 40 0 DHABRN Cc1cncc([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)n1 ZINC000257202725 563789624 /nfs/dbraw/zinc/78/96/24/563789624.db2.gz ANBSQHULRGGSTG-HNNXBMFYSA-N 0 0 323.421 3.977 40 0 DHABRN Cc1ccc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)cc1F ZINC000257211271 563789667 /nfs/dbraw/zinc/78/96/67/563789667.db2.gz BYFPJDSACQTZRS-INIZCTEOSA-N 0 0 312.388 3.624 40 0 DHABRN Cc1cnc(NC(=O)c2ccnc(Cc3ccccc3)c2)s1 ZINC000257228775 563790532 /nfs/dbraw/zinc/79/05/32/563790532.db2.gz FVDWAVYOKDUBMQ-UHFFFAOYSA-N 0 0 309.394 3.690 40 0 DHABRN Cc1nc2cc(NC(=O)c3n[nH]c4c3CCCCCC4)ccc2[nH]1 ZINC000257246274 563791574 /nfs/dbraw/zinc/79/15/74/563791574.db2.gz ITKJLJRVFMBSGD-UHFFFAOYSA-N 0 0 323.400 3.506 40 0 DHABRN Cc1cc2cc(C(=O)N3CCC[C@@H]3c3ccncn3)ccc2o1 ZINC000257270032 563792415 /nfs/dbraw/zinc/79/24/15/563792415.db2.gz MSNFEBYOMFGKTL-MRXNPFEDSA-N 0 0 307.353 3.509 40 0 DHABRN O=C1CC[C@H](O)[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000257257967 563792885 /nfs/dbraw/zinc/79/28/85/563792885.db2.gz KRVASIHAWQYHEM-FUHWJXTLSA-N 0 0 315.800 3.565 40 0 DHABRN Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)n1 ZINC000257333546 563793017 /nfs/dbraw/zinc/79/30/17/563793017.db2.gz YBZYNTWEUBDMQV-OAHLLOKOSA-N 0 0 323.396 3.793 40 0 DHABRN COC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000000095223 563820202 /nfs/dbraw/zinc/82/02/02/563820202.db2.gz FIGBNZDSNRGUHB-UHFFFAOYSA-N 0 0 304.733 3.771 40 0 DHABRN C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)ncn1 ZINC000328984542 563832761 /nfs/dbraw/zinc/83/27/61/563832761.db2.gz HPBMNEXSTNCLOX-AWEZNQCLSA-N 0 0 308.429 3.782 40 0 DHABRN CC[C@@H](C)Nc1nc(Nc2ccccc2C)cc(C(F)(F)F)n1 ZINC000328971236 563832907 /nfs/dbraw/zinc/83/29/07/563832907.db2.gz DOHPQAJOESAIKZ-LLVKDONJSA-N 0 0 324.350 3.602 40 0 DHABRN CC(C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)n1 ZINC000329045568 563833682 /nfs/dbraw/zinc/83/36/82/563833682.db2.gz TWZNXGPKESMFCN-UHFFFAOYSA-N 0 0 320.799 3.554 40 0 DHABRN CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)ncn1 ZINC000329066274 563834322 /nfs/dbraw/zinc/83/43/22/563834322.db2.gz XYMQRMHKWRQVFJ-GFCCVEGCSA-N 0 0 316.836 3.903 40 0 DHABRN Cc1ccc(OCCCn2c(C=O)nc3ccccc32)cc1C ZINC000011735048 563836091 /nfs/dbraw/zinc/83/60/91/563836091.db2.gz BBHQMPRKWJPUOM-UHFFFAOYSA-N 0 0 308.381 3.935 40 0 DHABRN Cn1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@@H]23)cn1 ZINC000575410724 563855936 /nfs/dbraw/zinc/85/59/36/563855936.db2.gz CHFCTMPBKHIQNO-VBNZEHGJSA-N 0 0 303.793 3.708 40 0 DHABRN CCOc1cccc(C(=O)n2c(C)c(CO)c3ccccc32)c1 ZINC000216956621 563859726 /nfs/dbraw/zinc/85/97/26/563859726.db2.gz WXVHGAIZDFJRCH-UHFFFAOYSA-N 0 0 309.365 3.529 40 0 DHABRN CCOc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1 ZINC000216957695 563860318 /nfs/dbraw/zinc/86/03/18/563860318.db2.gz PTWSLODKWISVHV-UHFFFAOYSA-N 0 0 307.349 3.849 40 0 DHABRN Cc1ccc(OCC2N=NC(=S)N2c2cccc(C)c2)cc1 ZINC000026439409 563864768 /nfs/dbraw/zinc/86/47/68/563864768.db2.gz LMAFGHDBCHMTBB-UHFFFAOYSA-N 0 0 311.410 3.752 40 0 DHABRN CC(C)C(=O)Nc1cc(N2CCCC[C@H]2C)c(N)cc1Cl ZINC000045891799 563888439 /nfs/dbraw/zinc/88/84/39/563888439.db2.gz LHLUNNDIKRDYAX-LLVKDONJSA-N 0 0 309.841 3.896 40 0 DHABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)Cc1ccccc1 ZINC000045888391 563888454 /nfs/dbraw/zinc/88/84/54/563888454.db2.gz FFRTUMURCSDWEU-UHFFFAOYSA-N 0 0 311.410 3.677 40 0 DHABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccccc1F ZINC000045888933 563888468 /nfs/dbraw/zinc/88/84/68/563888468.db2.gz DKMBVYIPJKHJSE-UHFFFAOYSA-N 0 0 315.373 3.887 40 0 DHABRN O=C(CN1Cc2ccccc2C1)Nc1cc(Cl)ccc1Cl ZINC000155521255 563895017 /nfs/dbraw/zinc/89/50/17/563895017.db2.gz ZJNMQBXZCPEASS-UHFFFAOYSA-N 0 0 321.207 3.948 40 0 DHABRN O=c1c(Cl)c(Cl)c(Cl)nn1-c1ccccc1Cl ZINC000222253446 563914140 /nfs/dbraw/zinc/91/41/40/563914140.db2.gz LEINEZLNVYQOEY-UHFFFAOYSA-N 0 0 309.967 3.846 40 0 DHABRN COc1ccc2nc(Nc3ccc4c(c3)OCCO4)sc2c1 ZINC000004232305 563914263 /nfs/dbraw/zinc/91/42/63/563914263.db2.gz MXARFJYDBCQUET-UHFFFAOYSA-N 0 0 314.366 3.820 40 0 DHABRN CCOC(=O)c1ccc(Nc2ccccc2OCC)c(N)c1 ZINC000225430874 563914691 /nfs/dbraw/zinc/91/46/91/563914691.db2.gz BTUIXLIHAXQXNK-UHFFFAOYSA-N 0 0 300.358 3.588 40 0 DHABRN COc1cccc(CNc2cc(Cl)nc(C(F)(F)F)n2)c1 ZINC000234971537 563916076 /nfs/dbraw/zinc/91/60/76/563916076.db2.gz YKGDQAWJIVPHBW-UHFFFAOYSA-N 0 0 317.698 3.770 40 0 DHABRN Fc1cccc(CNc2cc(Cl)nc(C(F)(F)F)n2)c1 ZINC000236191977 563916321 /nfs/dbraw/zinc/91/63/21/563916321.db2.gz GHVOIKSNBWWRGQ-UHFFFAOYSA-N 0 0 305.662 3.900 40 0 DHABRN CN(C(=O)NC(=S)c1cccnc1)c1ccc2ccccc2c1 ZINC000006624671 563921696 /nfs/dbraw/zinc/92/16/96/563921696.db2.gz CRMZCTMGVFFTEO-UHFFFAOYSA-N 0 0 321.405 3.756 40 0 DHABRN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 ZINC000007928338 563922076 /nfs/dbraw/zinc/92/20/76/563922076.db2.gz ATUPNESVFMOOGY-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c(C)c1 ZINC000008369075 563922338 /nfs/dbraw/zinc/92/23/38/563922338.db2.gz MMUKXHLFDAWAGW-UHFFFAOYSA-N 0 0 308.425 3.875 40 0 DHABRN O=C(Sc1nnc(Cc2ccccc2)o1)c1cccs1 ZINC000033404783 563922953 /nfs/dbraw/zinc/92/29/53/563922953.db2.gz YOUADWUSNALXMP-UHFFFAOYSA-N 0 0 302.380 3.654 40 0 DHABRN CCCN(C)C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@H](C)O ZINC000225436178 563927844 /nfs/dbraw/zinc/92/78/44/563927844.db2.gz PIYBXKXCPKRPMR-JTQLQIEISA-N 0 0 322.792 3.530 40 0 biogenic,in-vitro DHABRN Cc1cc(-c2noc([C@@H](C)N)n2)cc(C)c1OCc1ccccc1 ZINC000095095358 563931018 /nfs/dbraw/zinc/93/10/18/563931018.db2.gz RBQJKJNFAKBWEA-CQSZACIVSA-N 0 0 323.396 3.952 40 0 DHABRN COC(=O)[C@H]1C[C@H](C(F)(F)F)CC2(C1)SCCCS2 ZINC000225757916 563938566 /nfs/dbraw/zinc/93/85/66/563938566.db2.gz BTMMPHFRAPWXIM-IUCAKERBSA-N 0 0 314.394 3.704 40 0 DHABRN CCNc1nc(Nc2ccc(F)c(C)c2)cc(-c2ccccn2)n1 ZINC000329070379 563959909 /nfs/dbraw/zinc/95/99/09/563959909.db2.gz ZGVLIOCQZAZHQD-UHFFFAOYSA-N 0 0 323.375 4.162 40 0 DHABRN CCNc1nc(C2CC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329067645 563959934 /nfs/dbraw/zinc/95/99/34/563959934.db2.gz YJSOXVDZQVMFTQ-UHFFFAOYSA-N 0 0 322.456 4.084 40 0 DHABRN CC[C@H](C)C[N@@H+]1CCc2c(c3c(c(OC)c2OC)CCC3)C1 ZINC000001567207 568412227 /nfs/dbraw/zinc/41/22/27/568412227.db2.gz SHQNLVNFWJVLHR-ZDUSSCGKSA-N 0 0 303.446 3.597 40 0 DHABRN COc1ccc([C@](O)(c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000001570022 568412286 /nfs/dbraw/zinc/41/22/86/568412286.db2.gz NGUAZYIANFFYIS-NHCUHLMSSA-N 0 0 320.388 3.665 40 0 DHABRN O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000171644395 568414509 /nfs/dbraw/zinc/41/45/09/568414509.db2.gz KRHFAPFACJGTGB-GFCCVEGCSA-N 0 0 318.467 3.713 40 0 DHABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nocc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000299817366 1013331354 /nfs/dbraw/zinc/33/13/54/1013331354.db2.gz YYWMPTGXJBPRND-YNZDMMAESA-N 0 0 315.457 3.993 40 0 in-vitro DHABRN C[C@H](OC(=O)Oc1ccccc1)[Si](C)(C)c1ccccc1 ZINC000195760899 1019316698 /nfs/dbraw/zinc/31/66/98/1019316698.db2.gz LNPSDOXJCCLFHA-CQSZACIVSA-N 0 0 300.430 3.745 40 0 DHABRN Cc1ccc(CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)cc1 ZINC000214474251 1019318190 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C[C@@H](Cc1ccccc1)NN1CCO[C@@H](c2ccccc2)[C@@H]1C ZINC000019170575 182106674 /nfs/dbraw/zinc/10/66/74/182106674.db2.gz KBRSLPYGHGQKNS-ABSDTBQOSA-N 0 0 310.441 3.584 40 0 DHABRN O=C(c1ccccc1F)N1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019347480 182117965 /nfs/dbraw/zinc/11/79/65/182117965.db2.gz AHPFHGHLPDQGAZ-UHFFFAOYSA-N 0 0 323.371 3.722 40 0 DHABRN O=C(CCCc1ccccn1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000019370547 182119732 /nfs/dbraw/zinc/11/97/32/182119732.db2.gz QPEPQVFESHVEKP-IBGZPJMESA-N 0 0 322.452 3.886 40 0 DHABRN CCOc1ccc2cc3c(nc2c1)OC(=O)N(C1CCCC1)C3 ZINC000019519986 182127531 /nfs/dbraw/zinc/12/75/31/182127531.db2.gz JVUWWCPKNFZLIM-UHFFFAOYSA-N 0 0 312.369 3.891 40 0 DHABRN CCCc1cc([C@@H]2CCCCCN2Cc2cn(C)nc2C)no1 ZINC000019525415 182128101 /nfs/dbraw/zinc/12/81/01/182128101.db2.gz MIWOYGNASMJNJY-SFHVURJKSA-N 0 0 316.449 3.786 40 0 DHABRN Cc1nc([C@@H](Cc2ccsc2)NC(=O)C2CC2)sc1C ZINC000019559688 182130463 /nfs/dbraw/zinc/13/04/63/182130463.db2.gz UNITYYSIKGRZGS-CYBMUJFWSA-N 0 0 306.456 3.631 40 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Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000020485622 182223147 /nfs/dbraw/zinc/22/31/47/182223147.db2.gz MIMTZFYZZJANBE-KBPBESRZSA-N 0 0 301.361 3.779 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C ZINC000020450780 182218505 /nfs/dbraw/zinc/21/85/05/182218505.db2.gz MORYWFDUJNHTQK-QGZVFWFLSA-N 0 0 301.361 3.608 40 0 DHABRN Cc1cccc(C)c1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000020451956 182218810 /nfs/dbraw/zinc/21/88/10/182218810.db2.gz IPLZUPLDXVIVHH-UHFFFAOYSA-N 0 0 322.408 3.678 40 0 DHABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000020489982 182224032 /nfs/dbraw/zinc/22/40/32/182224032.db2.gz BQTZOGCRSCDXFP-QGZVFWFLSA-N 0 0 323.436 3.964 40 0 DHABRN O=C(Nc1ccccc1)C(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000020523187 182227040 /nfs/dbraw/zinc/22/70/40/182227040.db2.gz HAJYBDZGPLSUKM-UHFFFAOYSA-N 0 0 314.454 3.511 40 0 DHABRN CCCCC(=O)Nc1ccc2nn(-c3ccc(OC)cc3)nc2c1 ZINC000020610023 182238641 /nfs/dbraw/zinc/23/86/41/182238641.db2.gz NIUBFWPXQLXKCC-UHFFFAOYSA-N 0 0 324.384 3.558 40 0 DHABRN Cc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccccc1 ZINC000021005778 182259532 /nfs/dbraw/zinc/25/95/32/182259532.db2.gz IEWWPVSYAZDCLB-MRXNPFEDSA-N 0 0 303.365 3.790 40 0 DHABRN O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000021904405 182297608 /nfs/dbraw/zinc/29/76/08/182297608.db2.gz QEIWRVWHOLKXND-UHFFFAOYSA-N 0 0 310.180 3.802 40 0 DHABRN CC(=O)c1cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c1 ZINC000022058205 182307192 /nfs/dbraw/zinc/30/71/92/182307192.db2.gz UAOGZDZSPLFLFM-UHFFFAOYSA-N 0 0 320.385 3.792 40 0 DHABRN CC[C@@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C ZINC000022237611 182314238 /nfs/dbraw/zinc/31/42/38/182314238.db2.gz CEAMHLOINWOZPH-LLVKDONJSA-N 0 0 303.431 3.748 40 0 DHABRN CC[C@@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C ZINC000022245655 182314816 /nfs/dbraw/zinc/31/48/16/182314816.db2.gz SFNCPVMKYHWBJY-SECBINFHSA-N 0 0 307.394 3.863 40 0 DHABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCCCC1 ZINC000022245952 182315067 /nfs/dbraw/zinc/31/50/67/182315067.db2.gz DRABCFLDVMLZEZ-UHFFFAOYSA-N 0 0 319.405 3.960 40 0 DHABRN Cc1nccn1-c1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000022514050 182324290 /nfs/dbraw/zinc/32/42/90/182324290.db2.gz FOPCQWUQQRAXIK-UHFFFAOYSA-N 0 0 322.437 3.667 40 0 DHABRN Cc1ccccc1CNC(=O)CSCc1ccc(F)cc1 ZINC000022517926 182324526 /nfs/dbraw/zinc/32/45/26/182324526.db2.gz ZCZSKEBKMRJMOR-UHFFFAOYSA-N 0 0 303.402 3.684 40 0 DHABRN COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000022525261 182324794 /nfs/dbraw/zinc/32/47/94/182324794.db2.gz GGVAJBZQIAFWDK-GJZGRUSLSA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccc(CCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000023488639 182362662 /nfs/dbraw/zinc/36/26/62/182362662.db2.gz BDHHGHNPQNFLPH-CYBMUJFWSA-N 0 0 301.361 3.644 40 0 DHABRN COC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 ZINC000024688834 182387925 /nfs/dbraw/zinc/38/79/25/182387925.db2.gz VDAGPPCGRVYKMV-UHFFFAOYSA-N 0 0 317.772 3.698 40 0 DHABRN COc1ccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000026898201 182457374 /nfs/dbraw/zinc/45/73/74/182457374.db2.gz LJOBMLNMLXVCET-AWEZNQCLSA-N 0 0 306.406 3.507 40 0 DHABRN COc1cccc(NC(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000027917757 182497766 /nfs/dbraw/zinc/49/77/66/182497766.db2.gz BMEFUEDTUGAXDS-UHFFFAOYSA-N 0 0 308.341 3.525 40 0 DHABRN O=C(CCc1ccccc1)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000027920486 182497896 /nfs/dbraw/zinc/49/78/96/182497896.db2.gz UIPOHSYDJBXILV-UHFFFAOYSA-N 0 0 323.371 3.642 40 0 DHABRN CC(C)(C)OC(=O)N1CCC2(CNc3cc(F)ccc32)CC1 ZINC000098213841 193791827 /nfs/dbraw/zinc/79/18/27/193791827.db2.gz JUOFAQAYQOGIRU-UHFFFAOYSA-N 0 0 306.381 3.520 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000032610619 182650026 /nfs/dbraw/zinc/65/00/26/182650026.db2.gz SYEUEIFMQDVBPY-SNVBAGLBSA-N 0 0 306.312 3.856 40 0 DHABRN CC1(C)CC(=O)C([C@H]2c3ccccc3O[C@H]3C=CC=C[C@@H]32)C(=O)C1 ZINC000101022897 193806273 /nfs/dbraw/zinc/80/62/73/193806273.db2.gz PFIATCKNWAZFSM-SOVGHPHASA-N 0 0 322.404 3.848 40 0 DHABRN Cc1cc(C)c(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)c(C)c1 ZINC000101275570 193809923 /nfs/dbraw/zinc/80/99/23/193809923.db2.gz GIIPNRHPTPSWRA-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN Nc1ccccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000035659370 182784575 /nfs/dbraw/zinc/78/45/75/182784575.db2.gz YBRJIKYNMQMYGX-UHFFFAOYSA-N 0 0 316.158 3.748 40 0 DHABRN CC(C)CCNC(=O)c1cc(Br)ccc1Cl ZINC000037975184 182947369 /nfs/dbraw/zinc/94/73/69/182947369.db2.gz YRXLAORTSXYOLJ-UHFFFAOYSA-N 0 0 304.615 3.878 40 0 DHABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000038752206 183008857 /nfs/dbraw/zinc/00/88/57/183008857.db2.gz KZEIPMWMSBSPCR-HNNXBMFYSA-N 0 0 313.353 3.520 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000038772521 183009467 /nfs/dbraw/zinc/00/94/67/183009467.db2.gz MBKSAAYGZPUIFL-CXAGYDPISA-N 0 0 301.361 3.861 40 0 DHABRN O=Cc1c(-c2cccc(Br)c2)nc2sccn12 ZINC000039320384 183016508 /nfs/dbraw/zinc/01/65/08/183016508.db2.gz KEEKSVXRGYOLQY-UHFFFAOYSA-N 0 0 307.172 3.638 40 0 DHABRN Clc1cccc(OCc2nc(-c3ccncc3)n[nH]2)c1Cl ZINC000040169619 183043316 /nfs/dbraw/zinc/04/33/16/183043316.db2.gz XSCUQQHXWJGWID-UHFFFAOYSA-N 0 0 321.167 3.753 40 0 DHABRN COc1ccc(OC)c([C@@H](O)c2ccc(Br)cc2)c1 ZINC000040244673 183049380 /nfs/dbraw/zinc/04/93/80/183049380.db2.gz OGGSKGYYVONKEJ-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc([C@H](O)c2ccc(Br)cc2)cc1F ZINC000040262868 183049399 /nfs/dbraw/zinc/04/93/99/183049399.db2.gz KAWTWMIVSWFCAX-CQSZACIVSA-N 0 0 311.150 3.679 40 0 DHABRN CN(Cc1ccccc1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC000041103634 183165755 /nfs/dbraw/zinc/16/57/55/183165755.db2.gz UZMUNPAVYFWNMI-UHFFFAOYSA-N 0 0 323.314 3.743 40 0 DHABRN Cc1ccc(C)c(NC(=O)C2(c3ccccc3)CCOCC2)c1 ZINC000041748399 183218225 /nfs/dbraw/zinc/21/82/25/183218225.db2.gz XILMWZYWWPWQFB-UHFFFAOYSA-N 0 0 309.409 3.990 40 0 DHABRN Cc1cn(-c2ccc(C)cc2)/c(=N/C(=O)c2ccccc2)s1 ZINC000044138596 183396320 /nfs/dbraw/zinc/39/63/20/183396320.db2.gz XEQYZTKKOVSCQN-HNENSFHCSA-N 0 0 308.406 3.897 40 0 DHABRN CC(C)Oc1ccc(NC(=S)NCc2ccccc2)cc1 ZINC000044195008 183397942 /nfs/dbraw/zinc/39/79/42/183397942.db2.gz UPNQQGAJQQHSNO-UHFFFAOYSA-N 0 0 300.427 3.960 40 0 DHABRN [NH3+][C@H](CC(=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000044216759 183398658 /nfs/dbraw/zinc/39/86/58/183398658.db2.gz NALUAFBDJSUGSD-SNVBAGLBSA-N 0 0 300.141 3.728 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)NC2CCCCCCC2)c1 ZINC000044840662 183441778 /nfs/dbraw/zinc/44/17/78/183441778.db2.gz FSJVRZZAXZEBRE-CQSZACIVSA-N 0 0 305.418 3.692 40 0 DHABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccccc1 ZINC000044884918 183446826 /nfs/dbraw/zinc/44/68/26/183446826.db2.gz IXFPBHMSPBDNMN-IBGZPJMESA-N 0 0 311.425 3.820 40 0 DHABRN Cc1c([C@@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc2n1C ZINC000104392580 194005249 /nfs/dbraw/zinc/00/52/49/194005249.db2.gz XSHJTDDKKHPCKY-INIZCTEOSA-N 0 0 318.376 3.534 40 0 DHABRN CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1 ZINC000055391016 183983997 /nfs/dbraw/zinc/98/39/97/183983997.db2.gz VTNNMVYLMVDTCG-AQNXPRMDSA-N 0 0 323.436 3.846 40 0 DHABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1Cl ZINC000057340440 184033753 /nfs/dbraw/zinc/03/37/53/184033753.db2.gz SXEVDMRWXBKGJV-UHFFFAOYSA-N 0 0 320.776 3.582 40 0 DHABRN CC(C)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000057699653 184047760 /nfs/dbraw/zinc/04/77/60/184047760.db2.gz SQINCGHCDWGXAH-UHFFFAOYSA-N 0 0 303.427 3.631 40 0 DHABRN CCOc1ccc(NC(=S)NCCCOC2CCCC2)cc1 ZINC000057815649 184055624 /nfs/dbraw/zinc/05/56/24/184055624.db2.gz CKHOHICPJGGCSQ-UHFFFAOYSA-N 0 0 322.474 3.721 40 0 DHABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000060391487 184148106 /nfs/dbraw/zinc/14/81/06/184148106.db2.gz KAGBYVNLPVVLFE-UHFFFAOYSA-N 0 0 317.772 3.996 40 0 DHABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1OC ZINC000059351095 184137582 /nfs/dbraw/zinc/13/75/82/184137582.db2.gz HCAMDSIDFYDWLO-AWEZNQCLSA-N 0 0 313.397 3.812 40 0 DHABRN CC[C@@H](NC(=O)COc1cccc(OC)c1)c1ccc(C)cc1 ZINC000060964693 184159068 /nfs/dbraw/zinc/15/90/68/184159068.db2.gz KNHURLYQRPOZRF-GOSISDBHSA-N 0 0 313.397 3.650 40 0 DHABRN CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2N)c1 ZINC000061665833 184181637 /nfs/dbraw/zinc/18/16/37/184181637.db2.gz CXTCOKWCWQNSLM-UHFFFAOYSA-N 0 0 304.777 3.962 40 0 DHABRN CCOC(=O)c1cnc2ccc(CC)cc2c1N(CC)CC ZINC000062719681 184250977 /nfs/dbraw/zinc/25/09/77/184250977.db2.gz LFPFCLMWWXMRPF-UHFFFAOYSA-N 0 0 300.402 3.820 40 0 DHABRN O[C@H](c1ccc(Br)cc1)c1cc(F)c(F)c(F)c1 ZINC000063008373 184266078 /nfs/dbraw/zinc/26/60/78/184266078.db2.gz SMQJBQUQPPWGDJ-CYBMUJFWSA-N 0 0 317.104 3.948 40 0 DHABRN CSc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1 ZINC000064476779 184298109 /nfs/dbraw/zinc/29/81/09/184298109.db2.gz ABSVEVPXFVWOHJ-UHFFFAOYSA-N 0 0 321.467 3.850 40 0 DHABRN Cc1cc(C)cc(OCCNC(=O)CCc2ccc(F)cc2)c1 ZINC000065700399 184377024 /nfs/dbraw/zinc/37/70/24/184377024.db2.gz AGLGLLBCQBSFPN-UHFFFAOYSA-N 0 0 315.388 3.570 40 0 DHABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118925842 194941591 /nfs/dbraw/zinc/94/15/91/194941591.db2.gz QBAHMYSNLVHPJQ-NGUVMQQOSA-N 0 0 308.437 3.907 40 0 DHABRN CCOCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000075241773 256546997 /nfs/dbraw/zinc/54/69/97/256546997.db2.gz ZOSVYLFEWPNEDA-FNORWQNLSA-N 0 0 302.201 3.549 40 0 DHABRN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C1=O ZINC000104807917 256580543 /nfs/dbraw/zinc/58/05/43/256580543.db2.gz FPELEILKLKNCMW-ZIAGYGMSSA-N 0 0 303.789 3.884 40 0 DHABRN O=C1S/C(=C\c2ccc[nH]2)C(=O)N1Cc1ccccc1Cl ZINC000106684151 256582591 /nfs/dbraw/zinc/58/25/91/256582591.db2.gz JNUWFBLIRSGGCQ-JYRVWZFOSA-N 0 0 318.785 3.905 40 0 DHABRN CC(C)(C)OC(=O)NCc1cccc(Br)c1F ZINC000142051337 256587474 /nfs/dbraw/zinc/58/74/74/256587474.db2.gz ROLRBQXGDRFORA-UHFFFAOYSA-N 0 0 304.159 3.613 40 0 DHABRN CCCOc1ncc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C ZINC000225889934 256597524 /nfs/dbraw/zinc/59/75/24/256597524.db2.gz RUEPZLZRILQSHT-UGSOOPFHSA-N 0 0 320.433 3.713 40 0 DHABRN CC(C)(C)OC(=O)NCc1ccc(OCc2ccccc2)nc1 ZINC000072225384 257123512 /nfs/dbraw/zinc/12/35/12/257123512.db2.gz XLPXFLLQEQLAEJ-UHFFFAOYSA-N 0 0 314.385 3.685 40 0 DHABRN COc1cccc(OC)c1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072221428 257124348 /nfs/dbraw/zinc/12/43/48/257124348.db2.gz RKSLUNPJJWUUMI-OAHLLOKOSA-N 0 0 311.381 3.681 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215979 257124847 /nfs/dbraw/zinc/12/48/47/257124847.db2.gz TVMYWRZUKDUKQM-OAHLLOKOSA-N 0 0 317.433 3.754 40 0 DHABRN CCN(CC)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072212833 257126968 /nfs/dbraw/zinc/12/69/68/257126968.db2.gz UMUKMRYXDNLCJZ-HNNXBMFYSA-N 0 0 319.449 4.000 40 0 DHABRN CCN(C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212812 257127245 /nfs/dbraw/zinc/12/72/45/257127245.db2.gz PLBCKHXHEPGJCK-SFHVURJKSA-N 0 0 323.440 3.905 40 0 DHABRN CCCCc1ccc(-n2nc3ccc(NC(C)=O)cc3n2)cc1 ZINC000009141382 257217976 /nfs/dbraw/zinc/21/79/76/257217976.db2.gz XJFFUCUGCDXSDK-UHFFFAOYSA-N 0 0 308.385 3.722 40 0 DHABRN Cc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1Cl ZINC000409198523 257221235 /nfs/dbraw/zinc/22/12/35/257221235.db2.gz BRJNYXOLRABTGK-UHFFFAOYSA-N 0 0 300.789 3.603 40 0 DHABRN O=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1 ZINC000409149869 257221923 /nfs/dbraw/zinc/22/19/23/257221923.db2.gz TVOHBMKWQPLQJR-OAHLLOKOSA-N 0 0 315.369 3.632 40 0 DHABRN S=C(NCCC1=CCCCC1)Nc1cccc2cnncc21 ZINC000408976275 257224602 /nfs/dbraw/zinc/22/46/02/257224602.db2.gz QHMQPKJOZJSWFF-UHFFFAOYSA-N 0 0 312.442 3.807 40 0 DHABRN Cc1cnc(NC(=O)CSc2cccc3cccnc32)s1 ZINC000409008525 257224860 /nfs/dbraw/zinc/22/48/60/257224860.db2.gz ZOUDRCRXXAEIOW-UHFFFAOYSA-N 0 0 315.423 3.731 40 0 DHABRN COc1cc(C=O)ccc1Oc1c(F)c(F)c(F)c(F)c1F ZINC000408735142 257227355 /nfs/dbraw/zinc/22/73/55/257227355.db2.gz KCMFXQCRKXZTCL-UHFFFAOYSA-N 0 0 318.197 3.996 40 0 DHABRN O=C(NC(=S)c1cccnc1)Nc1ccc2ccccc2c1 ZINC000408731944 257227444 /nfs/dbraw/zinc/22/74/44/257227444.db2.gz NPFZSAYYCIFHFM-UHFFFAOYSA-N 0 0 307.378 3.732 40 0 DHABRN CCOC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000408718176 257227752 /nfs/dbraw/zinc/22/77/52/257227752.db2.gz OGUNFFSCQTUVRR-UHFFFAOYSA-N 0 0 309.325 3.972 40 0 DHABRN CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000408708870 257227841 /nfs/dbraw/zinc/22/78/41/257227841.db2.gz MNSWYJHWQWGAEI-UHFFFAOYSA-N 0 0 324.424 3.627 40 0 DHABRN Cc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 ZINC000408707033 257228311 /nfs/dbraw/zinc/22/83/11/257228311.db2.gz ILOQDNUZRXWMAK-UHFFFAOYSA-N 0 0 316.445 3.655 40 0 DHABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(C)C)cc1 ZINC000408674550 257228500 /nfs/dbraw/zinc/22/85/00/257228500.db2.gz AAWVWEWTGYQALU-UHFFFAOYSA-N 0 0 320.392 3.622 40 0 DHABRN CCc1ccc(CNC(=S)c2cc(OC)ccc2OC)cc1 ZINC000408573802 257229819 /nfs/dbraw/zinc/22/98/19/257229819.db2.gz OIYDJPMGVZAUGA-UHFFFAOYSA-N 0 0 315.438 3.732 40 0 DHABRN CCc1ccc(CNC(=S)c2ccc(OC)cc2OC)cc1 ZINC000408574953 257229866 /nfs/dbraw/zinc/22/98/66/257229866.db2.gz NEWXUDICBMPIEK-UHFFFAOYSA-N 0 0 315.438 3.732 40 0 DHABRN O=C(/C=C/c1cnc(-c2ccccc2)nc1)NC1CCCCC1 ZINC000408528716 257230107 /nfs/dbraw/zinc/23/01/07/257230107.db2.gz FUXNXADGZSTYKX-VAWYXSNFSA-N 0 0 307.397 3.606 40 0 DHABRN S=C(Nc1cccc(N2CCCC2)c1)NC1CCCCC1 ZINC000408548991 257230134 /nfs/dbraw/zinc/23/01/34/257230134.db2.gz OXUYOLGCAVHYNS-UHFFFAOYSA-N 0 0 303.475 3.906 40 0 DHABRN COc1ccccc1C(=O)Oc1ccc(-c2ccc(C)cc2)nn1 ZINC000408532370 257230156 /nfs/dbraw/zinc/23/01/56/257230156.db2.gz XHLABOMSVYCDTI-UHFFFAOYSA-N 0 0 320.348 3.680 40 0 DHABRN COc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000408530893 257230271 /nfs/dbraw/zinc/23/02/71/257230271.db2.gz RZGNIWJJNSABLX-UHFFFAOYSA-N 0 0 324.311 3.511 40 0 DHABRN COc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc1 ZINC000408530911 257230400 /nfs/dbraw/zinc/23/04/00/257230400.db2.gz SCJLMPUOYHSFQK-UHFFFAOYSA-N 0 0 320.348 3.680 40 0 DHABRN COC(=O)c1cc2c(ccn2C)n1Cc1ccc(C(C)C)cc1 ZINC000005000630 257230590 /nfs/dbraw/zinc/23/05/90/257230590.db2.gz QLKFIKOKNCCDNY-UHFFFAOYSA-N 0 0 310.397 3.938 40 0 DHABRN Cc1ccc(OC/C=C/CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001578923 257231302 /nfs/dbraw/zinc/23/13/02/257231302.db2.gz YMXTUPBUXNFVAL-ONEGZZNKSA-N 0 0 316.422 3.712 40 0 DHABRN CC(=O)N1C=Cc2ccccc2[C@H]1[C@@H]1NC=Cc2ccccc21 ZINC000001577827 257231331 /nfs/dbraw/zinc/23/13/31/257231331.db2.gz AJSRKSMZXNELTH-UXHICEINSA-N 0 0 302.377 3.876 40 0 DHABRN CNC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 ZINC000224332710 257232975 /nfs/dbraw/zinc/23/29/75/257232975.db2.gz QOYWXLRVRQWMAX-UHFFFAOYSA-N 0 0 301.411 3.656 40 0 DHABRN CC(C)C[C@@H](c1nc(CC2=CCCC2)no1)N1CCCCC1=O ZINC000273776172 130166019 /nfs/dbraw/zinc/16/60/19/130166019.db2.gz RUYJARNCVRLKMZ-HNNXBMFYSA-N 0 0 317.433 3.822 40 0 DHABRN O=S(=O)(Cc1cccc(Cl)c1)N1CCCc2ccccc21 ZINC000013648480 331545214 /nfs/dbraw/zinc/54/52/14/331545214.db2.gz QGUZEPKTWLSPGB-UHFFFAOYSA-N 0 0 321.829 3.623 40 0 DHABRN Cc1cccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)c1 ZINC000096306171 332178560 /nfs/dbraw/zinc/17/85/60/332178560.db2.gz IUWRPGXIYOHRMD-WEVVVXLNSA-N 0 0 305.333 3.753 40 0 DHABRN Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000042646532 332247783 /nfs/dbraw/zinc/24/77/83/332247783.db2.gz WPUCSWGNYJGCCQ-UHFFFAOYSA-N 0 0 324.424 3.547 40 0 DHABRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)[nH]1 ZINC000222588045 333404449 /nfs/dbraw/zinc/40/44/49/333404449.db2.gz KPWJNUCQURHGGQ-KNXALSJPSA-N 0 0 312.442 3.616 40 0 DHABRN COc1ccc(CC(=O)N[C@H](C)CCc2ccccc2)cc1C ZINC000224520745 333409041 /nfs/dbraw/zinc/40/90/41/333409041.db2.gz BWOSOYYNCIOQQA-MRXNPFEDSA-N 0 0 311.425 3.684 40 0 DHABRN Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)cc1C ZINC000260845693 333624778 /nfs/dbraw/zinc/62/47/78/333624778.db2.gz WBHVYOLTBKPXFT-QGZVFWFLSA-N 0 0 322.452 3.875 40 0 DHABRN CCC(CC)NC(=O)[C@@H]1CCc2[nH]nc(-c3ccsc3)c2C1 ZINC000306126106 528798669 /nfs/dbraw/zinc/79/86/69/528798669.db2.gz DNAUWDKQMPGSRJ-LLVKDONJSA-N 0 0 317.458 3.548 40 0 DHABRN CCC(CC)NC(=O)[C@H]1CCc2[nH]nc(-c3ccsc3)c2C1 ZINC000306126107 528801100 /nfs/dbraw/zinc/80/11/00/528801100.db2.gz DNAUWDKQMPGSRJ-NSHDSACASA-N 0 0 317.458 3.548 40 0 DHABRN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000000514105 563630444 /nfs/dbraw/zinc/63/04/44/563630444.db2.gz WTMFAUZCIUWTON-UHFFFAOYSA-N 0 0 303.745 3.672 40 0 DHABRN Cc1cc(C)c(S(=O)(=O)N(C)c2ccc(F)cc2)c(C)c1 ZINC000222975221 563729987 /nfs/dbraw/zinc/72/99/87/563729987.db2.gz BLBNGCLQNYGJSN-UHFFFAOYSA-N 0 0 307.390 3.576 40 0 DHABRN CCCC(=O)Nc1cc(Cl)c2nc(N)sc2c1Cl ZINC000045891493 563888400 /nfs/dbraw/zinc/88/84/00/563888400.db2.gz STFDMCQWNFAOSD-UHFFFAOYSA-N 0 0 304.202 3.924 40 0 DHABRN COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000013709622 563386749 /nfs/dbraw/zinc/38/67/49/563386749.db2.gz QQBLMMCOWWXYPW-LLVKDONJSA-N 0 0 305.761 3.755 40 0 DHABRN C[C@@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 ZINC000254823513 560041373 /nfs/dbraw/zinc/04/13/73/560041373.db2.gz MBMQEIFVQACCCH-GFCCVEGCSA-N 0 0 318.369 3.580 40 0 endogenous,in-man DHABRN Cc1ccc(CSc2nnc(-c3ccncc3)n2C)cc1C ZINC000000523724 563264835 /nfs/dbraw/zinc/26/48/35/563264835.db2.gz MGIIEKUIYMOYBJ-UHFFFAOYSA-N 0 0 310.426 3.786 40 0 DHABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(F)c2)c(C)c1 ZINC000000570480 563267343 /nfs/dbraw/zinc/26/73/43/563267343.db2.gz MWQGMJKZVSELAL-UHFFFAOYSA-N 0 0 302.374 3.569 40 0 DHABRN COc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000000579656 563268012 /nfs/dbraw/zinc/26/80/12/563268012.db2.gz IUQIDDRTWXBWEG-LLVKDONJSA-N 0 0 305.761 3.755 40 0 DHABRN COc1cc2c(c(OC)c1OC)[C@H]1CCCC[C@@H]1SCC2=O ZINC000001556483 563284881 /nfs/dbraw/zinc/28/48/81/563284881.db2.gz XOHRFHYQHDDXHS-HZMBPMFUSA-N 0 0 322.426 3.668 40 0 DHABRN COc1ccc([C@@H](C)c2cc3c(cc2OC(C)=O)OCO3)cc1 ZINC000001581526 563286287 /nfs/dbraw/zinc/28/62/87/563286287.db2.gz WJWZERQIBARMMW-LLVKDONJSA-N 0 0 314.337 3.501 40 0 DHABRN CC(=O)O[C@]12c3ccccc3[C@H]1CCCCCC21OCCCO1 ZINC000001634651 563288766 /nfs/dbraw/zinc/28/87/66/563288766.db2.gz MLMNSGWQZQFPCN-APWZRJJASA-N 0 0 316.397 3.640 40 0 DHABRN C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000001683409 563290935 /nfs/dbraw/zinc/29/09/35/563290935.db2.gz CNFNVXPDSNSPKW-QFBILLFUSA-N 0 0 315.457 3.988 40 0 DHABRN COc1cccc(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1OC ZINC000001711319 563292615 /nfs/dbraw/zinc/29/26/15/563292615.db2.gz RENOGJSUOODSNX-ZBFHGGJFSA-N 0 0 318.413 3.985 40 0 DHABRN Cc1ccccc1N1CCN(C(=S)c2cccs2)CC1 ZINC000001730959 563293995 /nfs/dbraw/zinc/29/39/95/563293995.db2.gz PPVNETWUAMGTTK-UHFFFAOYSA-N 0 0 302.468 3.554 40 0 DHABRN COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3 ZINC000001855695 563296578 /nfs/dbraw/zinc/29/65/78/563296578.db2.gz PCBVPRNAXMQVNO-UHFFFAOYSA-N 0 0 318.416 3.846 40 0 DHABRN COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1 ZINC000002568228 563309541 /nfs/dbraw/zinc/30/95/41/563309541.db2.gz OFCLARYYBGKCHN-UHFFFAOYSA-N 0 0 308.381 3.522 40 0 aggregator,in-vitro DHABRN Cc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000034798107 563324548 /nfs/dbraw/zinc/32/45/48/563324548.db2.gz ZOSHTBGCFMCDRD-VYDXJSESSA-N 0 0 301.430 3.899 40 0 DHABRN C/C=C/C=C/C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000003501465 563325943 /nfs/dbraw/zinc/32/59/43/563325943.db2.gz OTJPYHTUYGXGCZ-CRBCFSCISA-N 0 0 314.168 3.607 40 0 DHABRN Cc1ccc(N2ON=C(c3ccccc3)N3C=C(C)C=C[C@H]32)nc1 ZINC000005553567 563330714 /nfs/dbraw/zinc/33/07/14/563330714.db2.gz CPONYHNUQZXUNZ-GOSISDBHSA-N 0 0 318.380 3.605 40 0 DHABRN O=C(Cc1cccs1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000006863517 563334742 /nfs/dbraw/zinc/33/47/42/563334742.db2.gz KJQLKGKCLYBSEL-UHFFFAOYSA-N 0 0 320.723 3.997 40 0 DHABRN CC[C@H](C)O[C@@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O ZINC000006934258 563335229 /nfs/dbraw/zinc/33/52/29/563335229.db2.gz LRVJQCMQTQIIDZ-XOBRGWDASA-N 0 0 322.408 3.926 40 0 DHABRN S=C(Nc1ccc(Cl)cc1)n1nnc2cc(Cl)ccc21 ZINC000006926433 563335328 /nfs/dbraw/zinc/33/53/28/563335328.db2.gz VAAGQYMGPZDUIC-UHFFFAOYSA-N 0 0 323.208 3.983 40 0 DHABRN Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2F)c(C)c1 ZINC000007217490 563337198 /nfs/dbraw/zinc/33/71/98/563337198.db2.gz LBXNHXCUEXFEBI-UHFFFAOYSA-N 0 0 321.417 3.572 40 0 DHABRN CCc1ccc([C@H](C)NC(=O)COc2ccccc2OC)cc1 ZINC000007262781 563337214 /nfs/dbraw/zinc/33/72/14/563337214.db2.gz UNHQYEURJPVWEU-AWEZNQCLSA-N 0 0 313.397 3.514 40 0 DHABRN Cc1cc(C)c(S(=O)(=O)N(C)Cc2cccc(F)c2)c(C)c1 ZINC000007216270 563337268 /nfs/dbraw/zinc/33/72/68/563337268.db2.gz QMWYAFKRZYGKEM-UHFFFAOYSA-N 0 0 321.417 3.572 40 0 DHABRN O=Cc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000007263314 563337387 /nfs/dbraw/zinc/33/73/87/563337387.db2.gz PNWJGXPUUXQXIQ-UHFFFAOYSA-N 0 0 323.270 3.535 40 0 DHABRN COc1ccc(NC(=S)NCCSCc2ccco2)cc1 ZINC000007582896 563339263 /nfs/dbraw/zinc/33/92/63/563339263.db2.gz BERZGJBKBRRDEX-UHFFFAOYSA-N 0 0 322.455 3.508 40 0 DHABRN C[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2 ZINC000007689067 563341264 /nfs/dbraw/zinc/34/12/64/563341264.db2.gz JEAYPTKBIMIRFD-GFCCVEGCSA-N 0 0 321.467 3.666 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007790379 563342547 /nfs/dbraw/zinc/34/25/47/563342547.db2.gz ZSHCQCPXYQCGFX-LLVKDONJSA-N 0 0 305.374 3.954 40 0 DHABRN CN(C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000008061576 563343768 /nfs/dbraw/zinc/34/37/68/563343768.db2.gz UNWPLJIQEXWQAQ-UHFFFAOYSA-N 0 0 322.408 3.520 40 0 DHABRN Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1 ZINC000008025586 563344178 /nfs/dbraw/zinc/34/41/78/563344178.db2.gz LVABUYCIMGEYLH-UHFFFAOYSA-N 0 0 322.452 3.883 40 0 DHABRN COc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000008167942 563344573 /nfs/dbraw/zinc/34/45/73/563344573.db2.gz QPAGLMBLMPXYKJ-UHFFFAOYSA-N 0 0 300.402 3.786 40 0 in-vivo DHABRN COc1ccc(Cl)cc1C(=O)NC[C@H](C)c1ccccc1 ZINC000008168630 563344859 /nfs/dbraw/zinc/34/48/59/563344859.db2.gz GAUIBFPJKMBCNK-LBPRGKRZSA-N 0 0 303.789 3.882 40 0 DHABRN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000008699173 563349315 /nfs/dbraw/zinc/34/93/15/563349315.db2.gz USODXQCOJVBWAY-IAGOWNOFSA-N 0 0 315.800 3.640 40 0 DHABRN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000009235089 563352891 /nfs/dbraw/zinc/35/28/91/563352891.db2.gz JCQVBDODWHSSIP-INIZCTEOSA-N 0 0 322.408 3.549 40 0 DHABRN Cc1ccc(CC(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000010996759 563358423 /nfs/dbraw/zinc/35/84/23/563358423.db2.gz LDDBIJVFIUVJQQ-UHFFFAOYSA-N 0 0 319.404 3.886 40 0 DHABRN C[C@H](Cc1cccs1)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000012148655 563363163 /nfs/dbraw/zinc/36/31/63/563363163.db2.gz COBCKTAITRMQJD-GFCCVEGCSA-N 0 0 316.401 3.589 40 0 DHABRN CC(C)n1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cn1 ZINC000012155483 563363347 /nfs/dbraw/zinc/36/33/47/563363347.db2.gz IYHAMXCXBVIHKC-UHFFFAOYSA-N 0 0 315.392 3.802 40 0 DHABRN C[C@H]1CCCCN1C(=O)CCn1c(C(F)F)cc2cccnc21 ZINC000012187264 563363686 /nfs/dbraw/zinc/36/36/86/563363686.db2.gz MZPPNKMCVXJLTF-LBPRGKRZSA-N 0 0 321.371 3.765 40 0 DHABRN Cc1noc(-c2cnc(N3CCCC3)nc2-c2ccco2)c1C ZINC000012186819 563363714 /nfs/dbraw/zinc/36/37/14/563363714.db2.gz HXXNVJHOZZVWLO-UHFFFAOYSA-N 0 0 310.357 3.609 40 0 DHABRN Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C(C)C)on1 ZINC000012186866 563363739 /nfs/dbraw/zinc/36/37/39/563363739.db2.gz HGTUHSIXDQIKRH-LBPRGKRZSA-N 0 0 300.406 3.800 40 0 DHABRN CC(=O)c1csc(NC(=O)c2cc(C3CCCCC3)no2)n1 ZINC000012198207 563364114 /nfs/dbraw/zinc/36/41/14/563364114.db2.gz FMKUTYPSKZZUIN-UHFFFAOYSA-N 0 0 319.386 3.634 40 0 DHABRN c1cc(-c2nc(N3CCCCC3)ncc2-c2ccncc2)co1 ZINC000012667931 563372634 /nfs/dbraw/zinc/37/26/34/563372634.db2.gz VTJAIBAMYNWBGP-UHFFFAOYSA-N 0 0 306.369 3.789 40 0 DHABRN Cc1ccc(NC(=O)NC2CCCCC2)cc1N1CCCC1=O ZINC000012846153 563374808 /nfs/dbraw/zinc/37/48/08/563374808.db2.gz UVAJVXYEJWDAFO-UHFFFAOYSA-N 0 0 315.417 3.576 40 0 DHABRN Cc1ccnc(N2ON=C(c3ccccc3)N3C=CC(C)=C[C@H]32)c1 ZINC000013213506 563379302 /nfs/dbraw/zinc/37/93/02/563379302.db2.gz YASOQPWYLKAOBO-GOSISDBHSA-N 0 0 318.380 3.605 40 0 DHABRN O=C(Cc1cccc(CC(=O)c2ccccc2)n1)c1ccccc1 ZINC000013223075 563379846 /nfs/dbraw/zinc/37/98/46/563379846.db2.gz DUVHFBAETAJEBH-UHFFFAOYSA-N 0 0 315.372 3.932 40 0 DHABRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000013649426 563384320 /nfs/dbraw/zinc/38/43/20/563384320.db2.gz NBLKCPVVNTZYIV-GFCCVEGCSA-N 0 0 319.788 3.546 40 0 DHABRN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000013668267 563384801 /nfs/dbraw/zinc/38/48/01/563384801.db2.gz JGFZGBLMTYHSHH-INIZCTEOSA-N 0 0 317.454 3.792 40 0 DHABRN COC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 ZINC000013795789 563389679 /nfs/dbraw/zinc/38/96/79/563389679.db2.gz AQQOLGJPANSSRH-UHFFFAOYSA-N 0 0 320.801 3.936 40 0 DHABRN COc1ccc(-c2noc(-c3cc(N)ccc3Cl)n2)cc1 ZINC000037641966 563416344 /nfs/dbraw/zinc/41/63/44/563416344.db2.gz PPMNHQJJJSCAPJ-UHFFFAOYSA-N 0 0 301.733 3.648 40 0 DHABRN COCc1cccc(NC(=O)CSc2ccc(OC)cc2)c1 ZINC000025335173 563422505 /nfs/dbraw/zinc/42/25/05/563422505.db2.gz RFZKFKJFRSUENT-UHFFFAOYSA-N 0 0 317.410 3.572 40 0 DHABRN Cc1cc2cc(C)c(SCCN3CCOCC3)nc2cc1C ZINC000026440387 563425702 /nfs/dbraw/zinc/42/57/02/563425702.db2.gz CNGJTCHERVZNMJ-UHFFFAOYSA-N 0 0 316.470 3.584 40 0 DHABRN CCCCNc1nc2c(cnn2C)c(Nc2cc(C)ccc2C)n1 ZINC000027666418 563429518 /nfs/dbraw/zinc/42/95/18/563429518.db2.gz XGBIOZPZEPZPEF-UHFFFAOYSA-N 0 0 324.432 3.936 40 0 DHABRN COC(=O)c1c(COCc2ccc(C)cc2C)cccc1OC ZINC000028540949 563432024 /nfs/dbraw/zinc/43/20/24/563432024.db2.gz ULIVSMQQJQQHAL-UHFFFAOYSA-N 0 0 314.381 3.815 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)CSCc1ccccc1 ZINC000028487965 563432351 /nfs/dbraw/zinc/43/23/51/563432351.db2.gz WTFURMHMMGBYPS-AWEZNQCLSA-N 0 0 315.438 3.806 40 0 DHABRN CCn1cc(-c2nnc(SCc3ccc(Cl)cc3)o2)cn1 ZINC000028579154 563432367 /nfs/dbraw/zinc/43/23/67/563432367.db2.gz IHLWDEKQWCSZCQ-UHFFFAOYSA-N 0 0 320.805 3.899 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)CSCc1ccccc1 ZINC000028487963 563432370 /nfs/dbraw/zinc/43/23/70/563432370.db2.gz WTFURMHMMGBYPS-CQSZACIVSA-N 0 0 315.438 3.806 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000030750838 563438201 /nfs/dbraw/zinc/43/82/01/563438201.db2.gz RKLMOVQQPPAMDZ-RDTXWAMCSA-N 0 0 313.397 3.730 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC1=CCCCC1 ZINC000030861396 563439133 /nfs/dbraw/zinc/43/91/33/563439133.db2.gz BXDVZJYFFDMJFA-SFHVURJKSA-N 0 0 317.429 3.859 40 0 DHABRN O=C1CSC(C(=Cc2ccccc2)c2nc3ccccc3[nH]2)=N1 ZINC000031842205 563441168 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CCn1c(=O)sc2cc(NC(=O)/C=C/c3ccccc3)ccc21 ZINC000225074507 563748006 /nfs/dbraw/zinc/74/80/06/563748006.db2.gz NJIGYEXWMXFZIO-DHZHZOJOSA-N 0 0 324.405 3.735 40 0 DHABRN O=C(NCCOc1ccccc1)C1(c2ccccc2)CCCC1 ZINC000225104305 563748533 /nfs/dbraw/zinc/74/85/33/563748533.db2.gz CWLPFEYEDXZYSB-UHFFFAOYSA-N 0 0 309.409 3.694 40 0 DHABRN Cc1ccc(CC(=O)NCCOc2ccc(Cl)cc2)c(C)c1 ZINC000225111360 563749056 /nfs/dbraw/zinc/74/90/56/563749056.db2.gz IUGZTLQRAQUZHI-UHFFFAOYSA-N 0 0 317.816 3.695 40 0 DHABRN CCc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000225164232 563749853 /nfs/dbraw/zinc/74/98/53/563749853.db2.gz AYPWVGPDJFGPAN-UHFFFAOYSA-N 0 0 321.779 3.850 40 0 DHABRN CC(C)CCNC(=S)Nc1ccc(Oc2ccccc2)nn1 ZINC000225188703 563750578 /nfs/dbraw/zinc/75/05/78/563750578.db2.gz FRQWXUFVIIYOGY-UHFFFAOYSA-N 0 0 316.430 3.601 40 0 DHABRN Cc1cccc(NC(=S)NCCSCc2ccccc2)n1 ZINC000225291779 563751462 /nfs/dbraw/zinc/75/14/62/563751462.db2.gz WLBNPWJYFKJUQK-UHFFFAOYSA-N 0 0 317.483 3.610 40 0 DHABRN 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CCOc1ccccc1Nc1ccc(N)cc1C(=O)OC(C)C ZINC000225479088 563756545 /nfs/dbraw/zinc/75/65/45/563756545.db2.gz CDWQUEJTBNJIRR-UHFFFAOYSA-N 0 0 314.385 3.976 40 0 DHABRN Fc1ccc(CCCNC(=S)Nc2ccc(F)cc2)cc1 ZINC000225546891 563758836 /nfs/dbraw/zinc/75/88/36/563758836.db2.gz PXLYOIITTKCJQX-UHFFFAOYSA-N 0 0 306.381 3.884 40 0 DHABRN COc1cccnc1NC(=S)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000225708923 563760614 /nfs/dbraw/zinc/76/06/14/563760614.db2.gz KRVLEHBKQNKCOI-ZDUSSCGKSA-N 0 0 315.442 3.755 40 0 DHABRN CCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C ZINC000030289492 563761866 /nfs/dbraw/zinc/76/18/66/563761866.db2.gz HBBZUOLVZMQAGP-UHFFFAOYSA-N 0 0 323.458 3.563 40 0 DHABRN CC[C@H](NC(=S)Nc1ncccc1OC)c1ccccc1C ZINC000225759453 563762325 /nfs/dbraw/zinc/76/23/25/563762325.db2.gz KJWFXTJIDYWBBH-AWEZNQCLSA-N 0 0 315.442 3.836 40 0 DHABRN Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1 ZINC000225781187 563762739 /nfs/dbraw/zinc/76/27/39/563762739.db2.gz YEXKESNEFDYEOJ-AWEZNQCLSA-N 0 0 300.427 3.749 40 0 DHABRN O=C([N-]c1c(F)cccc1F)c1snnc1-c1cccs1 ZINC000225788615 563763596 /nfs/dbraw/zinc/76/35/96/563763596.db2.gz RMFYEPPLGCBHLL-UHFFFAOYSA-N 0 0 323.349 3.797 40 0 DHABRN COC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 ZINC000225789846 563763689 /nfs/dbraw/zinc/76/36/89/563763689.db2.gz KIYCZCNEQQOHOB-UHFFFAOYSA-N 0 0 301.386 3.991 40 0 DHABRN COc1ccc([C@H](C)NC(=O)CCc2ccccc2F)cc1 ZINC000225791566 563763697 /nfs/dbraw/zinc/76/36/97/563763697.db2.gz XHKWAQIGGFPZRH-ZDUSSCGKSA-N 0 0 301.361 3.644 40 0 DHABRN CCCCOc1ccc(NC(=O)C(C)(C)C)cc1C(=O)OC ZINC000225784933 563763701 /nfs/dbraw/zinc/76/37/01/563763701.db2.gz LAUZWVJGOJHSNF-UHFFFAOYSA-N 0 0 307.390 3.637 40 0 DHABRN CCC[C@@H](C)NC(=O)CCc1nc(-c2ccccc2Cl)no1 ZINC000225811651 563764240 /nfs/dbraw/zinc/76/42/40/563764240.db2.gz LNYXSAXJNJNGDA-LLVKDONJSA-N 0 0 321.808 3.627 40 0 DHABRN COCCC1(NC(=S)Nc2ccc(Cl)cc2)CCCC1 ZINC000225845236 563764569 /nfs/dbraw/zinc/76/45/69/563764569.db2.gz LSNLKJLZMCOIRM-UHFFFAOYSA-N 0 0 312.866 3.976 40 0 DHABRN Fc1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 ZINC000225855170 563764899 /nfs/dbraw/zinc/76/48/99/563764899.db2.gz IXOYFOXOMYXBAG-UHFFFAOYSA-N 0 0 315.417 3.977 40 0 DHABRN COC(=O)c1cccc(NC(=S)NC2(C)CCCCC2)c1C ZINC000225859207 563765273 /nfs/dbraw/zinc/76/52/73/563765273.db2.gz GELXKZXBDKILLT-UHFFFAOYSA-N 0 0 320.458 3.791 40 0 DHABRN COc1ccc(N(C)C(=O)c2conc2-c2ccccc2)cc1 ZINC000225870047 563765300 /nfs/dbraw/zinc/76/53/00/563765300.db2.gz JPIXMEWPAVSAMJ-UHFFFAOYSA-N 0 0 308.337 3.627 40 0 DHABRN CCCC[C@@](C)(OC)C(=O)Nc1cnc(OCCC)c(C)c1 ZINC000225886063 563765872 /nfs/dbraw/zinc/76/58/72/563765872.db2.gz LSQHFVXWBLRELA-QGZVFWFLSA-N 0 0 308.422 3.713 40 0 DHABRN CCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12 ZINC000225884578 563765953 /nfs/dbraw/zinc/76/59/53/563765953.db2.gz PYXCBWQERCXRFQ-SFHVURJKSA-N 0 0 316.401 3.777 40 0 DHABRN CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C)n1 ZINC000225894077 563766598 /nfs/dbraw/zinc/76/65/98/563766598.db2.gz ZUZMJDORPKDTRS-SFHVURJKSA-N 0 0 322.449 3.959 40 0 DHABRN CCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)c(C)n1 ZINC000225903720 563767220 /nfs/dbraw/zinc/76/72/20/563767220.db2.gz CQTSKKLIFXKXHB-KRWDZBQOSA-N 0 0 308.422 3.713 40 0 DHABRN COc1cccc(OC)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000225993961 563767606 /nfs/dbraw/zinc/76/76/06/563767606.db2.gz FSOHLJDZCLWQJY-UHFFFAOYSA-N 0 0 313.397 3.892 40 0 DHABRN COc1cccc(OC)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000225995057 563767794 /nfs/dbraw/zinc/76/77/94/563767794.db2.gz MHFMMGIMBBVYGI-UHFFFAOYSA-N 0 0 319.788 3.929 40 0 DHABRN Cc1ccc2oc(=O)c(C(=O)NCCC3=CCCCC3)cc2c1 ZINC000226036101 563768473 /nfs/dbraw/zinc/76/84/73/563768473.db2.gz GUEKUOADTLCTEL-UHFFFAOYSA-N 0 0 311.381 3.722 40 0 DHABRN O=C(NC1CCCCC1)c1cc2cccc(Cl)c2oc1=O ZINC000226038859 563768513 /nfs/dbraw/zinc/76/85/13/563768513.db2.gz YRUPTOCBBCDZSE-UHFFFAOYSA-N 0 0 305.761 3.509 40 0 DHABRN CCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc21 ZINC000032234729 563769099 /nfs/dbraw/zinc/76/90/99/563769099.db2.gz BTNPNLFCTKLABX-CQSZACIVSA-N 0 0 320.392 3.512 40 0 DHABRN CC(C)COC(=O)c1ccccc1C(=O)OC1CCCCC1 ZINC000001640880 563772725 /nfs/dbraw/zinc/77/27/25/563772725.db2.gz ACVHLWLOORYJEE-UHFFFAOYSA-N 0 0 304.386 3.989 40 0 DHABRN CO[C@@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 ZINC000245188064 563779915 /nfs/dbraw/zinc/77/99/15/563779915.db2.gz ZYTZWQFHAOSDHY-KRWDZBQOSA-N 0 0 311.337 3.543 40 0 DHABRN COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4n[nH]cc4C)C3)cc2c1 ZINC000257207031 563790089 /nfs/dbraw/zinc/79/00/89/563790089.db2.gz BGBCRDBDXSWZFO-CQSZACIVSA-N 0 0 324.428 3.588 40 0 DHABRN Cc1cn2c(cccc2[C@@H]2CCCN2C(=O)c2cccs2)n1 ZINC000257215391 563790936 /nfs/dbraw/zinc/79/09/36/563790936.db2.gz CPXQTWHCWJMCLS-ZDUSSCGKSA-N 0 0 311.410 3.682 40 0 DHABRN CC1(c2ncc(Cl)s2)CCN(Cc2cncs2)CC1 ZINC000257235942 563791638 /nfs/dbraw/zinc/79/16/38/563791638.db2.gz HAECDHLAPOFFOP-UHFFFAOYSA-N 0 0 313.879 3.807 40 0 DHABRN CO[C@@H]1CC[C@H]2N(C(=O)c3ccc4ncccc4c3)CC[C@@]2(C)C1 ZINC000257235525 563791735 /nfs/dbraw/zinc/79/17/35/563791735.db2.gz GYEZGPSSEAQTGK-POAQFYNOSA-N 0 0 324.424 3.655 40 0 DHABRN Cc1ncsc1-c1ccc(C(=O)N2CCCCCC2)cn1 ZINC000257238548 563791814 /nfs/dbraw/zinc/79/18/14/563791814.db2.gz HLNJPEYJPGXUEH-UHFFFAOYSA-N 0 0 301.415 3.530 40 0 DHABRN Cc1ccnc([C@@H]2CCN(C(=O)c3csc(C(C)C)c3)C2)n1 ZINC000257236104 563791884 /nfs/dbraw/zinc/79/18/84/563791884.db2.gz HATYESDKYCUDCT-CYBMUJFWSA-N 0 0 315.442 3.600 40 0 DHABRN O=C(CCc1cccs1)N1CCC[C@H](Cc2ccccn2)C1 ZINC000257252891 563792535 /nfs/dbraw/zinc/79/25/35/563792535.db2.gz JWOGAKYGTZKBFO-OAHLLOKOSA-N 0 0 314.454 3.557 40 0 DHABRN COc1ccc2c(c1)C(=O)C[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000077303297 563816752 /nfs/dbraw/zinc/81/67/52/563816752.db2.gz IYIZICLBCDWABT-AFTVQHQSSA-N 0 0 300.398 3.552 40 0 in-vitro DHABRN COc1cc(N)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000570001 563820256 /nfs/dbraw/zinc/82/02/56/563820256.db2.gz QLVZZYAWSHHPQZ-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN CCc1ccccc1N1C(=S)N=NC1COc1ccccc1 ZINC000013535318 563839753 /nfs/dbraw/zinc/83/97/53/563839753.db2.gz HOVQVVCYYWPMCS-UHFFFAOYSA-N 0 0 311.410 3.697 40 0 DHABRN Cc1ccc(C)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000000567130 563853706 /nfs/dbraw/zinc/85/37/06/563853706.db2.gz RXFNDAZKDGXEML-UHFFFAOYSA-N 0 0 323.845 3.923 40 0 DHABRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C)cc1C ZINC000000574318 563854366 /nfs/dbraw/zinc/85/43/66/563854366.db2.gz VMDUJYFOHISMEF-PKNBQFBNSA-N 0 0 311.381 3.973 40 0 DHABRN Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000001934381 563854676 /nfs/dbraw/zinc/85/46/76/563854676.db2.gz JBWLLIUCHAVJBX-UHFFFAOYSA-N 0 0 317.772 3.752 40 0 DHABRN O=C(NCC1CC1)c1cn(CCCCCF)c2ccccc12 ZINC000575415333 563856366 /nfs/dbraw/zinc/85/63/66/563856366.db2.gz ZBWTXQPFLUBXFN-UHFFFAOYSA-N 0 0 302.393 3.921 40 0 in-vitro DHABRN O=C(NC1CCCCC1)N1CC[C@H](c2nc3ccccc3o2)C1 ZINC000035442848 563867049 /nfs/dbraw/zinc/86/70/49/563867049.db2.gz JWRFUMWHSNKRHX-ZDUSSCGKSA-N 0 0 313.401 3.659 40 0 biogenic,in-vitro DHABRN c1cc2cc3c(cc2o1)OC[C@H]1c2cc4c(cc2O[C@@H]31)OCO4 ZINC000001583485 563875062 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/nfs/dbraw/zinc/91/55/25/563915525.db2.gz CMRJPMODSSEAPL-WTGUMLROSA-N 0 0 312.409 3.900 40 0 DHABRN COc1c(N)cc(-c2nc3ccccc3o2)cc1Br ZINC000026509109 563916917 /nfs/dbraw/zinc/91/69/17/563916917.db2.gz RUXSTDSAWPRMPU-UHFFFAOYSA-N 0 0 319.158 3.848 40 0 DHABRN COC(=O)CCC(=O)N1Cc2ccccc2C=Cc2ccccc21 ZINC000214944155 563920015 /nfs/dbraw/zinc/92/00/15/563920015.db2.gz FMRAIORSWRUSMC-UHFFFAOYSA-N 0 0 321.376 3.657 40 0 DHABRN Clc1ccc(CSc2n[nH]c(-c3ccncc3)n2)cc1 ZINC000005996938 563921354 /nfs/dbraw/zinc/92/13/54/563921354.db2.gz OTAZVDJVZRRSKT-UHFFFAOYSA-N 0 0 302.790 3.812 40 0 DHABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC)C1=O ZINC000006355890 563921504 /nfs/dbraw/zinc/92/15/04/563921504.db2.gz SNRKILLYMKFHGC-ZTMOJVSCSA-N 0 0 305.399 3.920 40 0 DHABRN CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1O ZINC000006960115 563921778 /nfs/dbraw/zinc/92/17/78/563921778.db2.gz DELKAIXBVSUZJY-UHFFFAOYSA-N 0 0 313.422 3.525 40 0 DHABRN COc1ccc(N(C)C(=S)Nc2ccc3conc3c2)cc1 ZINC000006949491 563921829 /nfs/dbraw/zinc/92/18/29/563921829.db2.gz YDAUCNDVXVYADU-UHFFFAOYSA-N 0 0 313.382 3.670 40 0 DHABRN CCc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 ZINC000008083405 563922080 /nfs/dbraw/zinc/92/20/80/563922080.db2.gz LBXHIIFGJQFSAO-LDADJPATSA-N 0 0 320.392 3.650 40 0 DHABRN Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000007929320 563922135 /nfs/dbraw/zinc/92/21/35/563922135.db2.gz GPVVVVHRJDKQIT-INIZCTEOSA-N 0 0 323.392 3.570 40 0 DHABRN Cc1ccc(OCCCC(=O)NCCCc2ccccc2)cc1 ZINC000010110351 563922522 /nfs/dbraw/zinc/92/25/22/563922522.db2.gz SCSYANDGXNELBB-UHFFFAOYSA-N 0 0 311.425 3.903 40 0 DHABRN COc1cc(Br)cc(C=NNc2ccccc2)c1O ZINC000041214269 563923114 /nfs/dbraw/zinc/92/31/14/563923114.db2.gz KNNHQGXCTCXHPA-CXUHLZMHSA-N 0 0 321.174 3.609 40 0 DHABRN Cc1ccc(CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000033806911 563923171 /nfs/dbraw/zinc/92/31/71/563923171.db2.gz MMIASOFLAAAYIE-UHFFFAOYSA-N 0 0 303.427 3.578 40 0 DHABRN C#CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000065997175 563923290 /nfs/dbraw/zinc/92/32/90/563923290.db2.gz IPMNRCQHODJEGY-UFFVCSGVSA-N 0 0 319.286 3.558 40 0 DHABRN COc1cccc(C(=O)OCc2ccc(Br)cc2)c1 ZINC000060504135 563923345 /nfs/dbraw/zinc/92/33/45/563923345.db2.gz BYLHADRESFOCSX-UHFFFAOYSA-N 0 0 321.170 3.815 40 0 DHABRN CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001632289 563924867 /nfs/dbraw/zinc/92/48/67/563924867.db2.gz PVGALIKOSLDYBA-UHFFFAOYSA-N 0 0 301.386 3.887 40 0 DHABRN FCc1cc2cc(I)ccc2nc1Cl ZINC000685937203 563927062 /nfs/dbraw/zinc/92/70/62/563927062.db2.gz MYFMXGORFFHUND-UHFFFAOYSA-N 0 0 321.520 3.962 40 0 DHABRN N[C@@H](c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 ZINC000095533954 563931797 /nfs/dbraw/zinc/93/17/97/563931797.db2.gz OYMTUGCDOCVIQE-CYBMUJFWSA-N 0 0 319.195 3.827 40 0 DHABRN N[C@H](c1n[nH]c(-c2cccc(Cl)c2)n1)c1ccc(Cl)cc1 ZINC000095533947 563931821 /nfs/dbraw/zinc/93/18/21/563931821.db2.gz OOXJQOIUSNADAJ-ZDUSSCGKSA-N 0 0 319.195 3.827 40 0 DHABRN O=C(C=Cc1c[nH]c2ccccc12)OCC(=O)c1ccccc1 ZINC000003152057 563942415 /nfs/dbraw/zinc/94/24/15/563942415.db2.gz HRIDXPHVKICRAM-ZHACJKMWSA-N 0 0 305.333 3.607 40 0 DHABRN Clc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)cc1 ZINC000067898547 563950557 /nfs/dbraw/zinc/95/05/57/563950557.db2.gz ZMVZYGQAIXYACF-INIZCTEOSA-N 0 0 317.820 3.513 40 0 biogenic,in-vitro DHABRN Fc1ccc(Nc2cc(Cl)nc(CC3CC3)n2)c(F)c1F ZINC000328982504 563959689 /nfs/dbraw/zinc/95/96/89/563959689.db2.gz HAXFPXGVVJOXAK-UHFFFAOYSA-N 0 0 313.710 4.243 40 0 DHABRN CC(C)Nc1nc(Nc2ccc(F)cc2)cc(-c2ccccn2)n1 ZINC000329041246 563959798 /nfs/dbraw/zinc/95/97/98/563959798.db2.gz SHCAMCDGCHFSKU-UHFFFAOYSA-N 0 0 323.375 4.242 40 0 DHABRN CCNc1nc(C2CC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329045541 563959876 /nfs/dbraw/zinc/95/98/76/563959876.db2.gz TWJGEJZOJIEYOO-UHFFFAOYSA-N 0 0 322.456 4.127 40 0 DHABRN Cc1cc(C)cc(Nc2cc(Cl)nc(-c3cccnc3)n2)c1 ZINC000329033354 563959907 /nfs/dbraw/zinc/95/99/07/563959907.db2.gz QTUYCDKLCFRNJY-UHFFFAOYSA-N 0 0 310.788 4.552 40 0 DHABRN Cc1cc(C)cc(Nc2cc(Cl)nc(-c3ccccn3)n2)c1 ZINC000329035385 563959936 /nfs/dbraw/zinc/95/99/36/563959936.db2.gz REDLVTYSDVFINR-UHFFFAOYSA-N 0 0 310.788 4.552 40 0 DHABRN Oc1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)c(F)c1 ZINC000329064708 563960133 /nfs/dbraw/zinc/96/01/33/563960133.db2.gz XMHYLKGNOWCSGV-UHFFFAOYSA-N 0 0 315.735 4.385 40 0 DHABRN CCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)n1 ZINC000329024278 563960136 /nfs/dbraw/zinc/96/01/36/563960136.db2.gz OYJSIHHCGGBJBX-UHFFFAOYSA-N 0 0 308.360 4.458 40 0 DHABRN Cc1ccc(N2C(=O)CCSC2=S)cc1Br ZINC000001565570 568412318 /nfs/dbraw/zinc/41/23/18/568412318.db2.gz IZFQYSUBSAIVQC-UHFFFAOYSA-N 0 0 316.245 3.512 40 0 DHABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000014001607 568414738 /nfs/dbraw/zinc/41/47/38/568414738.db2.gz WURIFFVLOYCBPP-BUHFOSPRSA-N 0 0 322.408 3.867 40 0 DHABRN CC(C)Cc1nnc(NC(=O)c2cc3ccccc3o2)s1 ZINC000002783730 1014341064 /nfs/dbraw/zinc/34/10/64/1014341064.db2.gz QYLCYMFTCDUMJJ-UHFFFAOYSA-N 0 0 301.371 3.735 40 0 DHABRN FCc1cccc(I)c1Br ZINC001504206550 1017844795 /nfs/dbraw/zinc/84/47/95/1017844795.db2.gz WTZVEXHBLXARTR-UHFFFAOYSA-N 0 0 314.923 3.523 40 0 DHABRN O=c1oc2ccccc2cc1/C=C/[C@H]1Cc2ccccc2OC1=O ZINC000255190823 1019336944 /nfs/dbraw/zinc/33/69/44/1019336944.db2.gz ZTPSTIYHFTYIFZ-SCOAYWHSSA-N 0 0 318.328 3.584 40 0 DHABRN COC(=O)C[C@@H](Cc1nc2ccccc2s1)C(F)(F)F ZINC000256052788 1019707578 /nfs/dbraw/zinc/70/75/78/1019707578.db2.gz ORFHKMRGJYAFJV-MRVPVSSYSA-N 0 0 303.305 3.580 40 0 DHABRN Cc1cc(Br)ccc1-c1ccc(/C=C\C(N)=O)o1 ZINC000208754234 1019991759 /nfs/dbraw/zinc/99/17/59/1019991759.db2.gz UHRWDIOPEUISND-DAXSKMNVSA-N 0 0 306.159 3.516 40 0 DHABRN O=C1O[C@@H](Nc2nc3ccc(F)cc3s2)c2ccccc21 ZINC000013999643 1022012174 /nfs/dbraw/zinc/01/21/74/1022012174.db2.gz SLZHZAZTFRWLOI-CYBMUJFWSA-N 0 0 300.314 3.717 40 0 DHABRN Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000224701477 1024648156 /nfs/dbraw/zinc/64/81/56/1024648156.db2.gz LVAAYBAVRAAFBZ-UHFFFAOYSA-N 0 0 309.818 3.782 40 0 DHABRN Cc1cc(F)c(Br)c(I)c1 ZINC000169795572 1024684962 /nfs/dbraw/zinc/68/49/62/1024684962.db2.gz VDZMVKQVYQWVAU-UHFFFAOYSA-N 0 0 314.923 3.501 40 0 DHABRN CCOc1cccc(NC(=S)NCc2ccc(OC)cc2)c1 ZINC000054971783 1025531534 /nfs/dbraw/zinc/53/15/34/1025531534.db2.gz ZCQOWBKDNPBZDK-UHFFFAOYSA-N 0 0 316.426 3.581 40 0 DHABRN CCC1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000218905961 1037793462 /nfs/dbraw/zinc/79/34/62/1037793462.db2.gz KFQOULPAWUEHPA-UHFFFAOYSA-N 0 0 322.836 3.672 40 0 DHABRN COc1ccccc1OCC(=O)NCc1cccc2ccccc21 ZINC000079142961 185160067 /nfs/dbraw/zinc/16/00/67/185160067.db2.gz NSWZWCSUTXASRT-UHFFFAOYSA-N 0 0 321.376 3.544 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](CSCc2ccccn2)C1 ZINC000079440890 185171768 /nfs/dbraw/zinc/17/17/68/185171768.db2.gz SMVUZOPZDHZCPB-CQSZACIVSA-N 0 0 322.474 3.962 40 0 DHABRN CC(C)(C)OC(=O)N1CCCC[C@@H]1CSc1ccccn1 ZINC000079440873 185171817 /nfs/dbraw/zinc/17/18/17/185171817.db2.gz QZWKWQBIXLBEJQ-CYBMUJFWSA-N 0 0 308.447 3.963 40 0 DHABRN Cc1ccc(OC[C@H](C)NC(=O)Cc2ccccc2Cl)cc1 ZINC000225439786 201708498 /nfs/dbraw/zinc/70/84/98/201708498.db2.gz FYUDGMGQFSDVAH-AWEZNQCLSA-N 0 0 317.816 3.775 40 0 DHABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1ccccc1 ZINC000225860410 201757387 /nfs/dbraw/zinc/75/73/87/201757387.db2.gz GMDOQJKKVWUHDF-INIZCTEOSA-N 0 0 323.436 3.991 40 0 DHABRN CCC[C@@H](C)NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 ZINC000225918456 201762298 /nfs/dbraw/zinc/76/22/98/201762298.db2.gz JGNIJQFQLPMSNV-GFCCVEGCSA-N 0 0 312.417 3.755 40 0 DHABRN COc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 ZINC000072229474 191077416 /nfs/dbraw/zinc/07/74/16/191077416.db2.gz LVHCIELHJLRMOV-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN Nc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 ZINC000072229789 191077858 /nfs/dbraw/zinc/07/78/58/191077858.db2.gz QYSGOOUTROINHC-UHFFFAOYSA-N 0 0 303.774 3.784 40 0 DHABRN COc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000225587439 186280425 /nfs/dbraw/zinc/28/04/25/186280425.db2.gz YXOGCYHUOIMDMO-HNNXBMFYSA-N 0 0 313.397 3.509 40 0 DHABRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)c1 ZINC000225597000 186281518 /nfs/dbraw/zinc/28/15/18/186281518.db2.gz YDXJJKRCISKSBM-AWEZNQCLSA-N 0 0 321.417 3.790 40 0 DHABRN CC(C)C(NC(=O)Cc1cccc(Br)c1)C(C)C ZINC000225613262 186283210 /nfs/dbraw/zinc/28/32/10/186283210.db2.gz REEZBXHPMCPZEC-UHFFFAOYSA-N 0 0 312.251 3.788 40 0 DHABRN CCOc1ccccc1NC(=S)NCCCOC1CCCC1 ZINC000225619137 186283973 /nfs/dbraw/zinc/28/39/73/186283973.db2.gz MONIYIKAZCEISC-UHFFFAOYSA-N 0 0 322.474 3.721 40 0 DHABRN CCCOc1c(C)cc(NC(=O)C2(OC)CCCC2)cc1C ZINC000225627112 186284563 /nfs/dbraw/zinc/28/45/63/186284563.db2.gz KVTAYBRNHZNXJL-UHFFFAOYSA-N 0 0 305.418 3.990 40 0 DHABRN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)cc1 ZINC000225623707 186284603 /nfs/dbraw/zinc/28/46/03/186284603.db2.gz YCFIQKDUNZQCSD-SFHVURJKSA-N 0 0 323.433 3.636 40 0 DHABRN CCCO[C@](C)(C(=O)Nc1cc(C)c(OC)c(C)c1)C1CC1 ZINC000225673929 186287932 /nfs/dbraw/zinc/28/79/32/186287932.db2.gz ZTBJCCRBVAYZHX-SFHVURJKSA-N 0 0 305.418 3.846 40 0 DHABRN O=C(CCc1ccco1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000072346766 191127620 /nfs/dbraw/zinc/12/76/20/191127620.db2.gz YCYNQPFROZUQHJ-QGZVFWFLSA-N 0 0 323.396 3.842 40 0 DHABRN c1coc(-c2nc(N3CCCCCC3)ncc2-c2cnccn2)c1 ZINC000072338475 191126824 /nfs/dbraw/zinc/12/68/24/191126824.db2.gz OWKFBECBSCJMSR-UHFFFAOYSA-N 0 0 321.384 3.574 40 0 DHABRN COc1ccccc1-c1ccc(C[C@@H]2CCCN(C(C)=O)C2)cn1 ZINC000072360727 191131497 /nfs/dbraw/zinc/13/14/97/191131497.db2.gz SEPSGFIZEVJPKI-KRWDZBQOSA-N 0 0 324.424 3.558 40 0 DHABRN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C)ccc1C ZINC000000050366 180678382 /nfs/dbraw/zinc/67/83/82/180678382.db2.gz JWVSKPGPYOGHGP-KRWDZBQOSA-N 0 0 313.353 3.602 40 0 DHABRN Cc1ccccc1OCC(=O)OCc1c(F)cccc1Cl ZINC000000559144 180821680 /nfs/dbraw/zinc/82/16/80/180821680.db2.gz JAEIUKOKHXCHAG-UHFFFAOYSA-N 0 0 308.736 3.910 40 0 DHABRN CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000000894482 180837130 /nfs/dbraw/zinc/83/71/30/180837130.db2.gz GOTLUTQWWMFAIC-UHFFFAOYSA-N 0 0 322.364 3.840 40 0 DHABRN CCC(=O)N(CC(C)C)c1nnc(-c2ccccc2C)s1 ZINC000001345362 180855902 /nfs/dbraw/zinc/85/59/02/180855902.db2.gz FSYBXNFAPJXPAM-UHFFFAOYSA-N 0 0 303.431 3.913 40 0 DHABRN CCOc1ccc(N2C(=O)CN=C2Nc2cccc(C)c2C)cc1 ZINC000001360528 180856889 /nfs/dbraw/zinc/85/68/89/180856889.db2.gz ZDILXUXWLOKJCN-UHFFFAOYSA-N 0 0 323.396 3.517 40 0 DHABRN CC(=O)OCCCC[C@@H]1CO[C@H](c2ccc(C(C)C)cc2)O1 ZINC000001681894 180887489 /nfs/dbraw/zinc/88/74/89/180887489.db2.gz DDLOGTGEIHACKY-MSOLQXFVSA-N 0 0 306.402 3.957 40 0 DHABRN Cc1ccc(C[C@](C)(O)C[C@@](C)(O)Cc2ccc(C)cc2)cc1 ZINC000001723845 180892552 /nfs/dbraw/zinc/89/25/52/180892552.db2.gz FLVGBGPUWNPAGH-SFTDATJTSA-N 0 0 312.453 3.981 40 0 DHABRN COc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000003482677 181025358 /nfs/dbraw/zinc/02/53/58/181025358.db2.gz QOYNCVKJFIIGQH-UHFFFAOYSA-N 0 0 313.397 3.892 40 0 DHABRN CCOC(=O)c1cc2ccccc2nc1NC(=O)c1ccccc1 ZINC000003845394 181048620 /nfs/dbraw/zinc/04/86/20/181048620.db2.gz CEOXKMSZDQPGNN-UHFFFAOYSA-N 0 0 320.348 3.664 40 0 DHABRN O[C@](c1cccs1)(c1cccnc1)C(Cl)(Cl)Cl ZINC000003844305 181048656 /nfs/dbraw/zinc/04/86/56/181048656.db2.gz FEWHNKCCYPQMRH-JTQLQIEISA-N 0 0 308.617 3.749 40 0 DHABRN O=C1CCC(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000003954656 181058557 /nfs/dbraw/zinc/05/85/57/181058557.db2.gz VJJUKKBNPFYKGX-UHFFFAOYSA-N 0 0 307.378 3.827 40 0 in-vitro DHABRN CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000073269791 191299119 /nfs/dbraw/zinc/29/91/19/191299119.db2.gz RWXXNIBQYXRWNN-GFCCVEGCSA-N 0 0 304.365 3.718 40 0 DHABRN CC(=O)Oc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1 ZINC000004521194 181119591 /nfs/dbraw/zinc/11/95/91/181119591.db2.gz QOLATYAXPIUNJO-UHFFFAOYSA-N 0 0 321.288 3.527 40 0 DHABRN O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(Cl)cc1 ZINC000004745030 181146598 /nfs/dbraw/zinc/14/65/98/181146598.db2.gz KRJJAQAXKWTYIU-UHFFFAOYSA-N 0 0 316.773 3.506 40 0 DHABRN COC(=O)[C@H]1C(=O)c2ccccc2[C@@H](C)[C@H]1c1ccccc1C ZINC000004743719 181146226 /nfs/dbraw/zinc/14/62/26/181146226.db2.gz RJIJKMUULKLTHQ-JEBQAFNWSA-N 0 0 308.377 3.868 40 0 DHABRN CC1=C[C@H](C)[C@@H](C(=O)OCC(C)C)[C@H](C(=O)OCC(C)C)C1 ZINC000004803894 181153615 /nfs/dbraw/zinc/15/36/15/181153615.db2.gz HTQRIGKYTISTRY-ARFHVFGLSA-N 0 0 310.434 3.603 40 0 DHABRN CC1=C[C@H](C)[C@@H](C(=O)OCC(C)C)[C@@H](C(=O)OCC(C)C)C1 ZINC000004803891 181153855 /nfs/dbraw/zinc/15/38/55/181153855.db2.gz HTQRIGKYTISTRY-HRCADAONSA-N 0 0 310.434 3.603 40 0 DHABRN O=C(CNCc1ccco1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004904717 181170802 /nfs/dbraw/zinc/17/08/02/181170802.db2.gz SURMTAAOKWZGFQ-UHFFFAOYSA-N 0 0 322.364 3.800 40 0 DHABRN CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(C)cc1 ZINC000004909964 181171503 /nfs/dbraw/zinc/17/15/03/181171503.db2.gz MFCJLLURRMXQPZ-GOSISDBHSA-N 0 0 321.380 3.933 40 0 DHABRN Cc1sc(N)nc1-c1ccc2c(c1)CCN2C(=O)C(C)(C)C ZINC000004929749 181174417 /nfs/dbraw/zinc/17/44/17/181174417.db2.gz UGCSQNYHCGSUPG-UHFFFAOYSA-N 0 0 315.442 3.636 40 0 DHABRN O=C(CCSCc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000004982996 181184170 /nfs/dbraw/zinc/18/41/70/181184170.db2.gz IZLBRUDVIPCIJJ-UHFFFAOYSA-N 0 0 315.394 3.677 40 0 DHABRN O=C(N1[C@@H]2CC[C@H]1COC2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000075166527 191438079 /nfs/dbraw/zinc/43/80/79/191438079.db2.gz AFCXNPAQFBBIQL-IYBDPMFKSA-N 0 0 319.832 3.542 40 0 DHABRN O=C1c2ccccc2[C@]2(c3ccccc3)C=NN[C@]12c1ccccc1 ZINC000005052004 181196960 /nfs/dbraw/zinc/19/69/60/181196960.db2.gz CNUBOASBXXWUIX-FGZHOGPDSA-N 0 0 324.383 3.654 40 0 DHABRN C[C@H]1CC[C@@H]([C@](O)(C(=O)c2ccccc2)c2ccccc2)C(=O)C1 ZINC000005339616 181231905 /nfs/dbraw/zinc/23/19/05/181231905.db2.gz GXTBEGWKZYADOA-KLHJMIIUSA-N 0 0 322.404 3.762 40 0 DHABRN CCCCCc1nnc(NC(=O)c2ccccc2OC)s1 ZINC000005419300 181241229 /nfs/dbraw/zinc/24/12/29/181241229.db2.gz XKZFOCSOCPKQTJ-UHFFFAOYSA-N 0 0 305.403 3.532 40 0 DHABRN Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C ZINC000005439825 181242860 /nfs/dbraw/zinc/24/28/60/181242860.db2.gz LZFMMMNSOJQGQW-UHFFFAOYSA-N 0 0 308.381 3.683 40 0 DHABRN COc1ccc2c(c1)CN1[C@H]3Nc4ccccc4[C@@H]3CC[C@H]1C2 ZINC000005487729 181249389 /nfs/dbraw/zinc/24/93/89/181249389.db2.gz ZCMHYIDKKDQGBL-ZAAXVRCTSA-N 0 0 306.409 3.751 40 0 DHABRN COc1ccc(CCCNC(=O)CCc2ccc(F)cc2)cc1 ZINC000079849290 191978889 /nfs/dbraw/zinc/97/88/89/191978889.db2.gz VAZWREIXHCAHKN-UHFFFAOYSA-N 0 0 315.388 3.516 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Cl)cc1 ZINC000005510833 181251457 /nfs/dbraw/zinc/25/14/57/181251457.db2.gz VHNREVVMXZZVBH-GFCCVEGCSA-N 0 0 319.788 3.605 40 0 DHABRN O=c1cc(-c2ccc(O)cc2)oc2ccc(Br)cc12 ZINC000005579608 181259516 /nfs/dbraw/zinc/25/95/16/181259516.db2.gz BQCQPDOLZOGWPV-UHFFFAOYSA-N 0 0 317.138 3.928 40 0 DHABRN O=C1CSC2=NC3=C(CCC3)[C@H](c3ccc(Cl)cc3)N12 ZINC000005570098 181258430 /nfs/dbraw/zinc/25/84/30/181258430.db2.gz PBELVVXHQTXPEM-AWEZNQCLSA-N 0 0 304.802 3.764 40 0 DHABRN C[C@@H](CNC(=O)COc1ccccc1Cl)c1ccccc1 ZINC000005861667 181290416 /nfs/dbraw/zinc/29/04/16/181290416.db2.gz QYIGLRPGVBJXQO-ZDUSSCGKSA-N 0 0 303.789 3.639 40 0 DHABRN COC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1C ZINC000005884294 181293103 /nfs/dbraw/zinc/29/31/03/181293103.db2.gz DLXOOHLNZYTULU-UHFFFAOYSA-N 0 0 303.745 3.687 40 0 DHABRN Cc1ccc2cc(-c3noc(-c4ccccc4)n3)c(=O)[nH]c2c1 ZINC000005965327 181301541 /nfs/dbraw/zinc/30/15/41/181301541.db2.gz PGJCUYPYMYZOHK-UHFFFAOYSA-N 0 0 303.321 3.554 40 0 DHABRN COc1cc(C(=O)O[C@H]2C[C@@H]3C[C@@]2(C)CC3(C)C)ccc1O ZINC000006202121 181319085 /nfs/dbraw/zinc/31/90/85/181319085.db2.gz UYRQNTGJUQGOJG-MRAWALMUSA-N 0 0 304.386 3.772 40 0 DHABRN O=C(CSC1=NCCS1)Nc1ccc(Cl)c(Cl)c1 ZINC000006240664 181322039 /nfs/dbraw/zinc/32/20/39/181322039.db2.gz ZWXHZEWBGPVKME-UHFFFAOYSA-N 0 0 321.254 3.768 40 0 DHABRN COc1ccc([C@H](C)c2cc3c(cc2OC(C)=O)OCO3)cc1 ZINC000006437398 181341597 /nfs/dbraw/zinc/34/15/97/181341597.db2.gz WJWZERQIBARMMW-NSHDSACASA-N 0 0 314.337 3.501 40 0 DHABRN C[C@H]1CCN(C(=O)CN(C)c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000195529397 201399161 /nfs/dbraw/zinc/39/91/61/201399161.db2.gz ZZYOEGPAVVOFKS-RYQLBKOJSA-N 0 0 300.446 3.550 40 0 DHABRN CC(=O)Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1 ZINC000006554996 181354548 /nfs/dbraw/zinc/35/45/48/181354548.db2.gz UNTWHTAKNWRIPV-UHFFFAOYSA-N 0 0 308.366 3.798 40 0 DHABRN CCC[C@@H](C)NC(=S)Nc1ccc(Br)cc1 ZINC000006629719 181363020 /nfs/dbraw/zinc/36/30/20/181363020.db2.gz NAFHGELSRRHOKK-SECBINFHSA-N 0 0 301.253 3.924 40 0 DHABRN Cc1[nH]nc2c1[C@@H](c1ccccc1Cl)S[C@H](C)C(=O)N2 ZINC000006678463 181369440 /nfs/dbraw/zinc/36/94/40/181369440.db2.gz ZKTSGSXKKFBBAW-PRHODGIISA-N 0 0 307.806 3.535 40 0 DHABRN O=c1[nH]c(SCc2ccccc2)nc2ccc(Cl)cc12 ZINC000006694674 181371131 /nfs/dbraw/zinc/37/11/31/181371131.db2.gz LZLSLYVRHSLQBY-UHFFFAOYSA-N 0 0 302.786 3.869 40 0 DHABRN COc1ccc2c(c1)c(C=O)cn2C(=O)OCc1ccccc1 ZINC000199813391 201426087 /nfs/dbraw/zinc/42/60/87/201426087.db2.gz CGWIQRVZQABQCI-UHFFFAOYSA-N 0 0 309.321 3.647 40 0 DHABRN C[C@@H]1Cc2c(cnn2-c2ccc(OC(F)(F)F)cc2)C(=O)C1 ZINC000199803031 201426559 /nfs/dbraw/zinc/42/65/59/201426559.db2.gz CXKURIFTPWCFKS-SECBINFHSA-N 0 0 310.275 3.536 40 0 DHABRN COc1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000091302993 193035694 /nfs/dbraw/zinc/03/56/94/193035694.db2.gz PFDCGHVOXGGTGC-UHFFFAOYSA-N 0 0 315.413 3.991 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1 ZINC000216332831 201490275 /nfs/dbraw/zinc/49/02/75/201490275.db2.gz AAOJSZVDHLSRBM-GOSISDBHSA-N 0 0 315.388 3.732 40 0 DHABRN Cc1c(C=O)c2ccccc2n1C(=O)COc1ccccc1C ZINC000216719676 201497281 /nfs/dbraw/zinc/49/72/81/201497281.db2.gz HUZIKXDJLJDKAX-UHFFFAOYSA-N 0 0 307.349 3.790 40 0 DHABRN Cc1ccc(OC[C@@H](C)NC(=O)c2cc3ccccc3o2)cc1 ZINC000219947884 201566139 /nfs/dbraw/zinc/56/61/39/201566139.db2.gz LAROFRCHMQXQHM-CQSZACIVSA-N 0 0 309.365 3.939 40 0 DHABRN Cc1ccc(OCC(=O)NCCSC2CCCCC2)cc1 ZINC000222758735 201621766 /nfs/dbraw/zinc/62/17/66/201621766.db2.gz PNGSJKVKTUTDHL-UHFFFAOYSA-N 0 0 307.459 3.556 40 0 DHABRN CCc1ccc(CC)c(CNC(=O)Cc2ccc(OC)cc2)c1 ZINC000222938524 201627029 /nfs/dbraw/zinc/62/70/29/201627029.db2.gz KTKSTWAMQCLQOL-UHFFFAOYSA-N 0 0 311.425 3.679 40 0 DHABRN COc1ccc(CC(=O)N(C)c2ccc(C)c(C)c2)cc1OC ZINC000222940479 201628101 /nfs/dbraw/zinc/62/81/01/201628101.db2.gz YAWKAUVMXWZTIM-UHFFFAOYSA-N 0 0 313.397 3.526 40 0 DHABRN CC(C)C(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223097209 201632365 /nfs/dbraw/zinc/63/23/65/201632365.db2.gz HPVDQIZFBSXQCT-UHFFFAOYSA-N 0 0 315.417 3.649 40 0 DHABRN S=C(NCCCc1ccccc1)Nc1cccnc1Cl ZINC000223962221 201665602 /nfs/dbraw/zinc/66/56/02/201665602.db2.gz UYXSSZNPMHMITR-UHFFFAOYSA-N 0 0 305.834 3.654 40 0 DHABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(F)c(F)c1 ZINC000224014733 201667335 /nfs/dbraw/zinc/66/73/35/201667335.db2.gz PBFSTJAMJVOPLS-UHFFFAOYSA-N 0 0 317.335 3.861 40 0 DHABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000224619135 201676788 /nfs/dbraw/zinc/67/67/88/201676788.db2.gz INENMLOUCXYHKQ-SFHVURJKSA-N 0 0 315.388 3.650 40 0 DHABRN CCC[C@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC000224853907 201680234 /nfs/dbraw/zinc/68/02/34/201680234.db2.gz ZWWGGLVVMJCJJL-ZDUSSCGKSA-N 0 0 316.401 3.588 40 0 DHABRN CCOc1ccc(CNC(=O)c2cccc(F)c2)cc1OCC ZINC000224956888 201681860 /nfs/dbraw/zinc/68/18/60/201681860.db2.gz RHHAKIDCDGQGGY-UHFFFAOYSA-N 0 0 317.360 3.553 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCC2)c(C)c1 ZINC000225168354 201689217 /nfs/dbraw/zinc/68/92/17/201689217.db2.gz XNTCXRFZHUXDLG-HNNXBMFYSA-N 0 0 321.486 3.863 40 0 DHABRN Cc1cncc([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1 ZINC000257234707 202967003 /nfs/dbraw/zinc/96/70/03/202967003.db2.gz GUTUSNUSIHYTKC-OAHLLOKOSA-N 0 0 315.442 3.947 40 0 DHABRN CNc1cc([C@H]2CCCN(C(=O)c3sccc3C)C2)ccn1 ZINC000257212524 202948778 /nfs/dbraw/zinc/94/87/78/202948778.db2.gz CDVIZTOMLNJKFP-AWEZNQCLSA-N 0 0 315.442 3.513 40 0 DHABRN Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccnc(C)c2)s1 ZINC000257307788 203032247 /nfs/dbraw/zinc/03/22/47/203032247.db2.gz TUCZBPXDOHWMLP-MRXNPFEDSA-N 0 0 314.454 3.997 40 0 DHABRN CC(=O)N1CCC[C@H](c2ccc(-c3nc(C)c(C)s3)cn2)C1 ZINC000257329777 203052434 /nfs/dbraw/zinc/05/24/34/203052434.db2.gz XLNAFXHJKIRSQT-HNNXBMFYSA-N 0 0 315.442 3.548 40 0 DHABRN Cc1ccc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)s1 ZINC000257311722 203036449 /nfs/dbraw/zinc/03/64/49/203036449.db2.gz UKTKPHCGZHSVRP-HNNXBMFYSA-N 0 0 300.427 3.546 40 0 DHABRN Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC000257336678 203057529 /nfs/dbraw/zinc/05/75/29/203057529.db2.gz YPNPFJCWULVWOL-MRXNPFEDSA-N 0 0 315.392 3.544 40 0 DHABRN Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccn3)C2)s1 ZINC000257315339 203037724 /nfs/dbraw/zinc/03/77/24/203037724.db2.gz VAWJDLGHDRJHHP-CQSZACIVSA-N 0 0 300.427 3.546 40 0 DHABRN CC(C)c1cc(C(=O)N2CCC[C@H]2c2cnccn2)cs1 ZINC000257319840 203043884 /nfs/dbraw/zinc/04/38/84/203043884.db2.gz VUGISKOVELELRY-AWEZNQCLSA-N 0 0 301.415 3.639 40 0 DHABRN Cc1ccc(C[C@H]2CCCN(C(=O)c3ccsc3)C2)cn1 ZINC000257340196 203062618 /nfs/dbraw/zinc/06/26/18/203062618.db2.gz ZEZORLOUQDSVIX-OAHLLOKOSA-N 0 0 300.427 3.546 40 0 DHABRN Cc1ccc(C2=NN(C(N)=O)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095864679 193448252 /nfs/dbraw/zinc/44/82/52/193448252.db2.gz DMEPWLRLONRJHV-INIZCTEOSA-N 0 0 313.788 3.878 40 0 DHABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 ZINC000007928051 181509511 /nfs/dbraw/zinc/50/95/11/181509511.db2.gz BORLGKQBPMABRH-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000007935354 181509782 /nfs/dbraw/zinc/50/97/82/181509782.db2.gz PGNYKGFGWQZVJQ-LLVKDONJSA-N 0 0 305.374 3.954 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1 ZINC000008041779 181521990 /nfs/dbraw/zinc/52/19/90/181521990.db2.gz STMWDNWLUDEGJD-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)C(C)(C)C)nc21 ZINC000009140750 181603507 /nfs/dbraw/zinc/60/35/07/181603507.db2.gz QZOVUHPLASUXGM-UHFFFAOYSA-N 0 0 321.471 3.772 40 0 DHABRN C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000010449989 181670860 /nfs/dbraw/zinc/67/08/60/181670860.db2.gz YDTQXFCCLVMRNI-LBPRGKRZSA-N 0 0 321.829 3.621 40 0 DHABRN CC(C)(C)OC(=O)n1c(C=O)c(Br)c2ccccc21 ZINC000096509773 193674250 /nfs/dbraw/zinc/67/42/50/193674250.db2.gz SYBUJYOOIXPUKC-UHFFFAOYSA-N 0 0 324.174 4.000 40 0 DHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)NC1CCCCC1 ZINC000010684209 181677183 /nfs/dbraw/zinc/67/71/83/181677183.db2.gz ORTORUMDBKGXSA-ZDUSSCGKSA-N 0 0 317.433 3.669 40 0 DHABRN O=C(COc1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000011002516 181682788 /nfs/dbraw/zinc/68/27/88/181682788.db2.gz GKRIXOSBHQNESR-UHFFFAOYSA-N 0 0 303.361 3.956 40 0 DHABRN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000011715453 181700973 /nfs/dbraw/zinc/70/09/73/181700973.db2.gz NSKOUWHECYBKGW-UHFFFAOYSA-N 0 0 300.333 3.673 40 0 DHABRN Cc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000013672353 181876164 /nfs/dbraw/zinc/87/61/64/181876164.db2.gz KOYILZNFVPRKTL-UHFFFAOYSA-N 0 0 301.817 3.940 40 0 DHABRN Cc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000013669171 181875450 /nfs/dbraw/zinc/87/54/50/181875450.db2.gz VJCPZMYHKDZHBI-OAHLLOKOSA-N 0 0 303.427 3.651 40 0 DHABRN Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000014737966 181969126 /nfs/dbraw/zinc/96/91/26/181969126.db2.gz BYBWXCBEMPTARO-UHFFFAOYSA-N 0 0 324.207 3.997 40 0 DHABRN O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccccc1 ZINC000015554934 182006469 /nfs/dbraw/zinc/00/64/69/182006469.db2.gz OTYMURFTYPRDLR-DHZHZOJOSA-N 0 0 301.773 3.548 40 0 DHABRN CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000015421537 182001260 /nfs/dbraw/zinc/00/12/60/182001260.db2.gz UTUAJKBVMVMPNU-LBPRGKRZSA-N 0 0 314.410 3.764 40 0 DHABRN C[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000015744813 182014851 /nfs/dbraw/zinc/01/48/51/182014851.db2.gz UDGPVSYMYJISCC-LBPRGKRZSA-N 0 0 318.214 3.983 40 0 DHABRN Cc1onc(-c2ccccc2Cl)c1[C@@H](O)NCc1ccco1 ZINC000016249561 182038396 /nfs/dbraw/zinc/03/83/96/182038396.db2.gz ZTPFXTZWGLGSQC-MRXNPFEDSA-N 0 0 318.760 3.677 40 0 DHABRN COC(=O)c1ccc(-c2ccc(Br)cc2)nc1C ZINC000016249916 182038492 /nfs/dbraw/zinc/03/84/92/182038492.db2.gz LRAPCACWJYSICH-UHFFFAOYSA-N 0 0 306.159 3.606 40 0 DHABRN COc1ccc(CN(C)C(=S)Nc2ccccc2)cc1OC ZINC000016316401 182040344 /nfs/dbraw/zinc/04/03/44/182040344.db2.gz ZNLHJMSSXDNGIE-UHFFFAOYSA-N 0 0 316.426 3.533 40 0 DHABRN COc1cccc(NC(=O)c2cc3ccc(OC)cc3nc2C)c1 ZINC000016505924 182047535 /nfs/dbraw/zinc/04/75/35/182047535.db2.gz QFCZZQLZSWALEU-UHFFFAOYSA-N 0 0 322.364 3.813 40 0 DHABRN CC(C)c1nnc(NC(=O)COc2ccccc2C(C)C)s1 ZINC000016965844 182066613 /nfs/dbraw/zinc/06/66/13/182066613.db2.gz BYCGOIIBMDWMFP-UHFFFAOYSA-N 0 0 319.430 3.802 40 0 DHABRN CCNC(=O)N1c2ccccc2-c2nc3ccccc3n2[C@H]1C ZINC000017031326 182069257 /nfs/dbraw/zinc/06/92/57/182069257.db2.gz SWWGWZXRZGULDQ-GFCCVEGCSA-N 0 0 306.369 3.771 40 0 DHABRN Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccco1)C2 ZINC000017032081 182069694 /nfs/dbraw/zinc/06/96/94/182069694.db2.gz IKSKTYLJVGYCRP-GFCCVEGCSA-N 0 0 310.328 3.826 40 0 DHABRN Cc1ccc(-n2ncc3c2C[C@H](c2ccccc2O)CC3=O)cc1 ZINC000017054575 182072213 /nfs/dbraw/zinc/07/22/13/182072213.db2.gz ZJBIHPNEURYOSD-AWEZNQCLSA-N 0 0 318.376 3.799 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000017297306 182081844 /nfs/dbraw/zinc/08/18/44/182081844.db2.gz XVTHZTQWTROUJQ-CQSZACIVSA-N 0 0 317.816 3.775 40 0 DHABRN COc1ccccc1NC(=O)NCCSCc1ccccc1 ZINC000018173956 182095952 /nfs/dbraw/zinc/09/59/52/182095952.db2.gz RBSLDCNJALLQIN-UHFFFAOYSA-N 0 0 316.426 3.750 40 0 DHABRN COc1ccccc1NC(=O)NCCSc1ccc(C)cc1 ZINC000018174803 182096387 /nfs/dbraw/zinc/09/63/87/182096387.db2.gz CIYWSAQVSODOKJ-UHFFFAOYSA-N 0 0 316.426 3.917 40 0 DHABRN CC(=O)N1c2ccc(-c3cn4ccc(C)cc4n3)cc2C[C@@H]1C ZINC000019238208 182111170 /nfs/dbraw/zinc/11/11/70/182111170.db2.gz PXEHRFQAYAXFJO-ZDUSSCGKSA-N 0 0 305.381 3.607 40 0 DHABRN Cn1ccc([C@H]2CCCCCN2Cc2cc(F)cc(F)c2)n1 ZINC000019291057 182113232 /nfs/dbraw/zinc/11/32/32/182113232.db2.gz XMWMJSFUJVFTKS-QGZVFWFLSA-N 0 0 305.372 3.816 40 0 DHABRN Cc1cc([C@H]2CCCCCN2C(=O)c2cc(C(C)C)on2)on1 ZINC000019120134 182105097 /nfs/dbraw/zinc/10/50/97/182105097.db2.gz PAFVBUYLBKHMII-CQSZACIVSA-N 0 0 317.389 3.852 40 0 DHABRN O=C(c1ccccn1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019399691 182121462 /nfs/dbraw/zinc/12/14/62/182121462.db2.gz RSTKVURCGBWVLV-QGZVFWFLSA-N 0 0 317.392 3.650 40 0 DHABRN c1cc(CN2CCC[C@H]2c2nnc(-c3ccccn3)o2)cs1 ZINC000019403388 182121665 /nfs/dbraw/zinc/12/16/65/182121665.db2.gz VRXTXHAWAOSVCW-AWEZNQCLSA-N 0 0 312.398 3.530 40 0 DHABRN Nc1ccc2oc(Cc3ccc(Br)cc3)nc2c1 ZINC000019519156 182127163 /nfs/dbraw/zinc/12/71/63/182127163.db2.gz XRVBMMHYFYVGPF-UHFFFAOYSA-N 0 0 303.159 3.763 40 0 DHABRN Cc1ccc(NC(=O)c2ccccc2Br)cc1N ZINC000019514507 182127272 /nfs/dbraw/zinc/12/72/72/182127272.db2.gz SXGFBGHHMPPGQT-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CCCN(C[C@@H](C)O)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000019691514 182137860 /nfs/dbraw/zinc/13/78/60/182137860.db2.gz VPEAXOGUFMJYIQ-SECBINFHSA-N 0 0 321.273 3.783 40 0 DHABRN COc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2)cc1OC ZINC000019933217 182167035 /nfs/dbraw/zinc/16/70/35/182167035.db2.gz WUYWBRYPYAZVTF-TZIYXEQSSA-N 0 0 311.381 3.594 40 0 DHABRN O=C(Cc1ccccc1F)NCCSc1ccc(Cl)cc1 ZINC000020014292 182178550 /nfs/dbraw/zinc/17/85/50/182178550.db2.gz OYTSKRCEEHPRQE-UHFFFAOYSA-N 0 0 323.820 3.930 40 0 DHABRN CCCc1nnc(SCC(=O)c2ccc(C)cc2)n1CC ZINC000020033702 182182421 /nfs/dbraw/zinc/18/24/21/182182421.db2.gz XPYLBSKNWRJMHO-UHFFFAOYSA-N 0 0 303.431 3.534 40 0 DHABRN CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccccc1 ZINC000020045168 182182954 /nfs/dbraw/zinc/18/29/54/182182954.db2.gz CWQYRUDHXITVEJ-RDTXWAMCSA-N 0 0 313.397 3.730 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1C ZINC000020045305 182183088 /nfs/dbraw/zinc/18/30/88/182183088.db2.gz ZEAKTUADEHLZSN-LBPRGKRZSA-N 0 0 305.324 3.988 40 0 DHABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020110195 182187522 /nfs/dbraw/zinc/18/75/22/182187522.db2.gz SWIHACTUPFSQKP-CQSZACIVSA-N 0 0 319.426 3.946 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1 ZINC000020107384 182187651 /nfs/dbraw/zinc/18/76/51/182187651.db2.gz MEFPEBJYJXKFGW-KRWDZBQOSA-N 0 0 301.361 3.642 40 0 DHABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1 ZINC000020107634 182187819 /nfs/dbraw/zinc/18/78/19/182187819.db2.gz WYELWOPPKXIBSR-INIZCTEOSA-N 0 0 303.789 3.814 40 0 DHABRN C[C@@H](SCc1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000020238714 182199301 /nfs/dbraw/zinc/19/93/01/182199301.db2.gz SAPSAAHTRLHVKR-OAHLLOKOSA-N 0 0 311.450 3.893 40 0 DHABRN COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N ZINC000020343451 182209931 /nfs/dbraw/zinc/20/99/31/182209931.db2.gz DMABEMIECUUUID-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN Cc1cc(C)nc(Sc2cc3cc(Cl)ccc3[nH]c2=O)n1 ZINC000020353482 182210378 /nfs/dbraw/zinc/21/03/78/182210378.db2.gz PIOLXIRLBOITKN-UHFFFAOYSA-N 0 0 317.801 3.740 40 0 DHABRN CCOC(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1Cl ZINC000020452884 182218592 /nfs/dbraw/zinc/21/85/92/182218592.db2.gz TVBBNMIKUWJQCJ-UHFFFAOYSA-N 0 0 321.735 3.908 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000020456546 182219398 /nfs/dbraw/zinc/21/93/98/182219398.db2.gz CYSQIKOQOBQLKT-IRXDYDNUSA-N 0 0 311.425 3.900 40 0 DHABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccccc1 ZINC000020453739 182219526 /nfs/dbraw/zinc/21/95/26/182219526.db2.gz PQQYTCAYSRZJKX-KSSFIOAISA-N 0 0 313.397 3.730 40 0 DHABRN CN(C)C(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020460370 182220078 /nfs/dbraw/zinc/22/00/78/182220078.db2.gz SEPFVERIKDBFSQ-UHFFFAOYSA-N 0 0 301.411 3.560 40 0 DHABRN COc1ccc(CCC(=O)Nc2c(F)cccc2F)cc1OC ZINC000020460874 182221007 /nfs/dbraw/zinc/22/10/07/182221007.db2.gz LHTXCGASLJWJSA-UHFFFAOYSA-N 0 0 321.323 3.553 40 0 DHABRN C[C@H](SCc1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000020493319 182224326 /nfs/dbraw/zinc/22/43/26/182224326.db2.gz FHYDFSRIUPVRMV-ZDUSSCGKSA-N 0 0 303.402 3.764 40 0 DHABRN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2N)c(C)c1 ZINC000020558605 182231181 /nfs/dbraw/zinc/23/11/81/182231181.db2.gz MNBGMWIRZBKXMS-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN COc1ccc(-c2cc(-c3ccccc3)nc3nc(C)nn32)cc1 ZINC000020635815 182239869 /nfs/dbraw/zinc/23/98/69/182239869.db2.gz UJIHIPYTAGMTCG-UHFFFAOYSA-N 0 0 316.364 3.775 40 0 DHABRN COc1ccc(-c2ccnc3nc4ccccc4n32)cc1OC ZINC000020635286 182240327 /nfs/dbraw/zinc/24/03/27/182240327.db2.gz KCCMBAANZOJGBU-UHFFFAOYSA-N 0 0 305.337 3.567 40 0 DHABRN CCCCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610365 182238881 /nfs/dbraw/zinc/23/88/81/182238881.db2.gz KMZBARCEVMPVMW-UHFFFAOYSA-N 0 0 312.348 3.688 40 0 DHABRN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1C ZINC000021796367 182289864 /nfs/dbraw/zinc/28/98/64/182289864.db2.gz KRSBXYJSEGJYGW-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN COC(=O)[C@H](C)c1ccc(-c2ccc(OC(C)=O)cc2)c(F)c1 ZINC000022046976 182306579 /nfs/dbraw/zinc/30/65/79/182306579.db2.gz PPSZEZRRJWMPME-LLVKDONJSA-N 0 0 316.328 3.695 40 0 in-vitro DHABRN O=C(NCCc1ccccc1)c1cccnc1NC1CCCCC1 ZINC000022072255 182307846 /nfs/dbraw/zinc/30/78/46/182307846.db2.gz CCIFHQXQNPZCOU-UHFFFAOYSA-N 0 0 323.440 3.799 40 0 DHABRN Cc1cccc(OCCNC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000022500228 182323438 /nfs/dbraw/zinc/32/34/38/182323438.db2.gz ZRUWHNBEVXOPLU-OAHLLOKOSA-N 0 0 315.438 3.671 40 0 DHABRN Cc1ccc(OCCNC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000023038746 182345376 /nfs/dbraw/zinc/34/53/76/182345376.db2.gz YYWDERZEGOGKGD-HNNXBMFYSA-N 0 0 315.438 3.671 40 0 DHABRN CC(C)(C)c1ccc(OCCNC(=O)Cc2cccs2)cc1 ZINC000024650655 182386166 /nfs/dbraw/zinc/38/61/66/182386166.db2.gz KMNVQPDHUXHCRC-UHFFFAOYSA-N 0 0 317.454 3.783 40 0 DHABRN O=C(CCc1ccccc1)Nc1ccn(Cc2ccccc2F)n1 ZINC000027915941 182496915 /nfs/dbraw/zinc/49/69/15/182496915.db2.gz KJNGNAPEULYKMF-UHFFFAOYSA-N 0 0 323.371 3.642 40 0 DHABRN CCn1cc(Cl)c(C(=O)N[C@H](C)c2ccc(C)cc2C)n1 ZINC000028237464 182514735 /nfs/dbraw/zinc/51/47/35/182514735.db2.gz KAEAKMFDTXYMIH-GFCCVEGCSA-N 0 0 305.809 3.664 40 0 DHABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)cc1 ZINC000028303970 182519461 /nfs/dbraw/zinc/51/94/61/182519461.db2.gz GUUALXPEQGRORY-HNNXBMFYSA-N 0 0 320.392 3.977 40 0 DHABRN CCOC(=O)c1cnc2cc(-c3ccccc3Cl)nn2c1C ZINC000098179986 193791127 /nfs/dbraw/zinc/79/11/27/193791127.db2.gz WWQOSMVRCXDIOQ-UHFFFAOYSA-N 0 0 315.760 3.535 40 0 DHABRN C[C@H](Sc1ccccc1)C(=O)NCCOc1ccc(F)cc1 ZINC000030132593 182584129 /nfs/dbraw/zinc/58/41/29/182584129.db2.gz VAIIFMMUFUZSLQ-ZDUSSCGKSA-N 0 0 319.401 3.502 40 0 DHABRN Cc1ccc(C(=O)CSc2nncn2-c2ccccc2)cc1 ZINC000032171263 182636479 /nfs/dbraw/zinc/63/64/79/182636479.db2.gz IWLGYGHQDRQAQX-UHFFFAOYSA-N 0 0 309.394 3.551 40 0 DHABRN COc1ccc(-n2c(=O)cc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000036613090 182828499 /nfs/dbraw/zinc/82/84/99/182828499.db2.gz GCUZLHPKYHBQBZ-UHFFFAOYSA-N 0 0 323.314 3.744 40 0 DHABRN Cc1cc2occ(CC(=O)Nc3cccnc3)c2cc1Cl ZINC000039892803 183022549 /nfs/dbraw/zinc/02/25/49/183022549.db2.gz PPAZHZQZCNKCTN-UHFFFAOYSA-N 0 0 300.745 3.971 40 0 DHABRN COc1ccc([C@H](O)c2cccc(Br)c2)cc1F ZINC000040263033 183049218 /nfs/dbraw/zinc/04/92/18/183049218.db2.gz UWDVYTZTNSOBBO-CQSZACIVSA-N 0 0 311.150 3.679 40 0 DHABRN CCCSc1nnc(NC(=O)/C=C/c2ccc(F)cc2)s1 ZINC000040971079 183153012 /nfs/dbraw/zinc/15/30/12/183153012.db2.gz NFFIOCCRYOUYSG-VMPITWQZSA-N 0 0 323.418 3.831 40 0 DHABRN Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccc(F)cc2)c1 ZINC000040866246 183144589 /nfs/dbraw/zinc/14/45/89/183144589.db2.gz AIAWGPFRUKNGTN-VMPITWQZSA-N 0 0 313.372 3.651 40 0 DHABRN CN(C)C(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000041127532 183169813 /nfs/dbraw/zinc/16/98/13/183169813.db2.gz MVIXPBIUALQPNB-UHFFFAOYSA-N 0 0 300.745 3.850 40 0 DHABRN [NH3+][C@@H](CC(=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000044216761 183398636 /nfs/dbraw/zinc/39/86/36/183398636.db2.gz NALUAFBDJSUGSD-JTQLQIEISA-N 0 0 300.141 3.728 40 0 DHABRN [NH3+][C@H](CC(=O)[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000044216538 183398881 /nfs/dbraw/zinc/39/88/81/183398881.db2.gz FJWMZWXCCYEGIP-SNVBAGLBSA-N 0 0 300.141 3.728 40 0 DHABRN Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000045825009 183531763 /nfs/dbraw/zinc/53/17/63/183531763.db2.gz YLCIWFQDYOEKAV-CQSZACIVSA-N 0 0 301.361 3.560 40 0 DHABRN CC(C)Oc1cccc(CNC(=O)CCc2ccccc2F)c1 ZINC000046663176 183566231 /nfs/dbraw/zinc/56/62/31/183566231.db2.gz CQZLMVUYWAWZIJ-UHFFFAOYSA-N 0 0 315.388 3.862 40 0 DHABRN CCN(/C=C/c1nnnn1-c1ccc(-c2ccccc2)cc1)CC ZINC000055160811 183967016 /nfs/dbraw/zinc/96/70/16/183967016.db2.gz FMFNYSPBLGSNFR-CCEZHUSRSA-N 0 0 319.412 3.642 40 0 DHABRN Cc1cc(C)c(OCC(=O)Nc2cc(N)ccc2C)c(Cl)c1 ZINC000057340376 184033633 /nfs/dbraw/zinc/03/36/33/184033633.db2.gz BNINYKXFTXWEJL-UHFFFAOYSA-N 0 0 318.804 3.865 40 0 DHABRN CCOC(=O)c1c(C)nn(-c2nc3ccc(C)cc3s2)c1C ZINC000057351354 184034686 /nfs/dbraw/zinc/03/46/86/184034686.db2.gz DWCAWIIPFUZECE-UHFFFAOYSA-N 0 0 315.398 3.584 40 0 DHABRN CC(C)OC(=O)c1ccc(I)c(Cl)c1 ZINC000057351532 184034901 /nfs/dbraw/zinc/03/49/01/184034901.db2.gz YIKHKXANEOVENL-UHFFFAOYSA-N 0 0 324.545 3.510 40 0 DHABRN CCc1ccc(NC(=S)NCCCOC2CCCC2)cc1 ZINC000057815750 184055713 /nfs/dbraw/zinc/05/57/13/184055713.db2.gz VOSIYDZKPLCYCW-UHFFFAOYSA-N 0 0 306.475 3.885 40 0 DHABRN CC(C)[C@@H](C)NC(=O)CSCc1c(F)cccc1Cl ZINC000058689603 184126778 /nfs/dbraw/zinc/12/67/78/184126778.db2.gz UGMJUJRPKBKWLL-SNVBAGLBSA-N 0 0 303.830 3.873 40 0 DHABRN CCOc1ccc(CNC(=O)Nc2ccccc2)cc1OCC ZINC000059192518 184135815 /nfs/dbraw/zinc/13/58/15/184135815.db2.gz MUUTZUDYJCCJNC-UHFFFAOYSA-N 0 0 314.385 3.806 40 0 DHABRN Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000059349864 184137529 /nfs/dbraw/zinc/13/75/29/184137529.db2.gz IXIYNMZHSHNSMX-UHFFFAOYSA-N 0 0 303.774 3.784 40 0 DHABRN C[NH2+]C[C@@H]1c2ccccc2Oc2ccc(Cl)cc2[C@H]1C(=O)[O-] ZINC000059786827 184140917 /nfs/dbraw/zinc/14/09/17/184140917.db2.gz FDEBVKYOGYXKFY-CZUORRHYSA-N 0 0 317.772 3.617 40 0 DHABRN CCOC(=O)c1ccc(OC)c(OCc2ccc(C)cc2)c1 ZINC000062170293 184209982 /nfs/dbraw/zinc/20/99/82/184209982.db2.gz MXTODFKCRJTRIU-UHFFFAOYSA-N 0 0 300.354 3.759 40 0 DHABRN Cc1cc(C)cc(OCCNC(=O)CSc2ccccc2)c1 ZINC000065697979 184377134 /nfs/dbraw/zinc/37/71/34/184377134.db2.gz AZTPYXHEXNZNCA-UHFFFAOYSA-N 0 0 315.438 3.591 40 0 DHABRN Cc1ccc(CCC(=O)NCCOc2cc(C)cc(C)c2)cc1 ZINC000065700438 184377268 /nfs/dbraw/zinc/37/72/68/184377268.db2.gz HYVDVJABWVODAI-UHFFFAOYSA-N 0 0 311.425 3.740 40 0 DHABRN COc1ccc(NC(=O)c2ccccc2OC(C)C)cc1OC ZINC000066197861 184396352 /nfs/dbraw/zinc/39/63/52/184396352.db2.gz IKOPAAVQEYSKQC-UHFFFAOYSA-N 0 0 315.369 3.743 40 0 DHABRN CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000113165700 194560017 /nfs/dbraw/zinc/56/00/17/194560017.db2.gz JYUHBFSGUVOBQG-UHFFFAOYSA-N 0 0 315.316 3.531 40 0 DHABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118925848 194941558 /nfs/dbraw/zinc/94/15/58/194941558.db2.gz QBAHMYSNLVHPJQ-CZQRWWPKSA-N 0 0 308.437 3.907 40 0 DHABRN C[C@]1(O)CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118927509 194942251 /nfs/dbraw/zinc/94/22/51/194942251.db2.gz XLHAVSYGJGEONL-KWTCDADXSA-N 0 0 318.457 3.528 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)NCCSC(C)(C)C ZINC000113959314 256585235 /nfs/dbraw/zinc/58/52/35/256585235.db2.gz VJVKMGCWFVLJMQ-CYBMUJFWSA-N 0 0 313.438 3.631 40 0 DHABRN CCN(Cc1ccccc1)C(=O)COc1cccc2c1CCCC2 ZINC000224652879 256594763 /nfs/dbraw/zinc/59/47/63/256594763.db2.gz VABAYAFSSQRVSW-UHFFFAOYSA-N 0 0 323.436 3.993 40 0 DHABRN COc1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1F ZINC000225394832 256595238 /nfs/dbraw/zinc/59/52/38/256595238.db2.gz OQTZRDLGRBBNRS-CYBMUJFWSA-N 0 0 301.361 3.942 40 0 DHABRN CC(C)(C)OC(=O)NC[C@H]1CCCC(=O)[C@@H]1c1ccccc1 ZINC000225751123 256597207 /nfs/dbraw/zinc/59/72/07/256597207.db2.gz QRGRWLRFDOFXKK-GDBMZVCRSA-N 0 0 303.402 3.664 40 0 DHABRN Cc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227449 257122758 /nfs/dbraw/zinc/12/27/58/257122758.db2.gz MEWOSRODEJHKIA-CABCVRRESA-N 0 0 321.207 3.717 40 0 DHABRN O=C(c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 ZINC000072225763 257123079 /nfs/dbraw/zinc/12/30/79/257123079.db2.gz QALZQEJOGYANQA-UHFFFAOYSA-N 0 0 314.388 3.875 40 0 DHABRN Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)cnc1N(C)C ZINC000072218657 257124728 /nfs/dbraw/zinc/12/47/28/257124728.db2.gz KTBGJOMISICZLX-GOSISDBHSA-N 0 0 323.440 3.823 40 0 DHABRN Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1N(C)C ZINC000072218617 257125305 /nfs/dbraw/zinc/12/53/05/257125305.db2.gz DJKSKOBUZPTARG-AWEZNQCLSA-N 0 0 305.422 3.528 40 0 DHABRN O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215930 257125327 /nfs/dbraw/zinc/12/53/27/257125327.db2.gz HNNPQYQUVFBZLR-SFHVURJKSA-N 0 0 321.424 3.659 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215920 257125471 /nfs/dbraw/zinc/12/54/71/257125471.db2.gz YTIZJQAJWYOMSL-HNNXBMFYSA-N 0 0 317.433 3.754 40 0 DHABRN Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1Cl ZINC000072217765 257125653 /nfs/dbraw/zinc/12/56/53/257125653.db2.gz QLYZHJGPZUDVCW-UHFFFAOYSA-N 0 0 312.797 3.531 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214053 257126438 /nfs/dbraw/zinc/12/64/38/257126438.db2.gz KWIXBKBTZIMZSD-KRWDZBQOSA-N 0 0 301.434 3.900 40 0 DHABRN CCCNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072213201 257126856 /nfs/dbraw/zinc/12/68/56/257126856.db2.gz SVAROYXVZNULED-KRWDZBQOSA-N 0 0 309.413 3.881 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212113 257127059 /nfs/dbraw/zinc/12/70/59/257127059.db2.gz QQRZSIOVZJXQBB-GOSISDBHSA-N 0 0 310.397 3.734 40 0 DHABRN CC(C)Oc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072211957 257127259 /nfs/dbraw/zinc/12/72/59/257127259.db2.gz GDWDXIFUAMUAMW-CQSZACIVSA-N 0 0 306.406 3.941 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213050 257127411 /nfs/dbraw/zinc/12/74/11/257127411.db2.gz XLRJBRHCZGUNJN-KRWDZBQOSA-N 0 0 303.450 3.778 40 0 DHABRN CCOc1cc(/C=C/C(=O)OC)ccc1OCc1ccccc1 ZINC000062715413 257128854 /nfs/dbraw/zinc/12/88/54/257128854.db2.gz QLIRTRDVQCSMTJ-ZRDIBKRKSA-N 0 0 312.365 3.851 40 0 DHABRN Oc1cccc(-c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)c1 ZINC000064874548 257128928 /nfs/dbraw/zinc/12/89/28/257128928.db2.gz BDTKNVADZZPLDP-UHFFFAOYSA-N 0 0 305.259 3.863 40 0 DHABRN Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C)ccc3C)CC2=O)c1 ZINC000059227273 257217130 /nfs/dbraw/zinc/21/71/30/257217130.db2.gz SGRIHNQZLGDXQS-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN O=C(NCCSCc1ccccc1F)c1ccc(F)cc1 ZINC000010280096 257217960 /nfs/dbraw/zinc/21/79/60/257217960.db2.gz KTBPCZIJWGOFBS-UHFFFAOYSA-N 0 0 307.365 3.628 40 0 DHABRN S=C(NC[C@H]1C[C@@H]2CC[C@H]1C2)NC12CC3CC(CC(C3)C1)C2 ZINC000006261965 257218411 /nfs/dbraw/zinc/21/84/11/257218411.db2.gz ZKIRMNJOJCYFMQ-UUNKHFGGSA-N 0 0 318.530 3.856 40 0 DHABRN CCCN1C(=O)N/C(=C/c2cn(C(C)C)c3ccccc23)C1=O ZINC000409234804 257220507 /nfs/dbraw/zinc/22/05/07/257220507.db2.gz YIRWXQOETVODIQ-XNTDXEJSSA-N 0 0 311.385 3.525 40 0 DHABRN O=C1S/C(=C/c2ccoc2)C(=O)N1CCCc1ccccc1 ZINC000409135726 257222006 /nfs/dbraw/zinc/22/20/06/257222006.db2.gz ZTNVRMOXZYTIGZ-RVDMUPIBSA-N 0 0 313.378 3.949 40 0 DHABRN Cc1nc2ccc(NC(=O)N(C(C)C)C(C)C)cc2nc1C ZINC000408977237 257224683 /nfs/dbraw/zinc/22/46/83/257224683.db2.gz HUYZFOFKAUIDGC-UHFFFAOYSA-N 0 0 300.406 3.897 40 0 DHABRN COc1cccc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)c1OC ZINC000408734562 257227434 /nfs/dbraw/zinc/22/74/34/257227434.db2.gz IADORPWMOGJQJP-UHFFFAOYSA-N 0 0 316.382 3.698 40 0 DHABRN Cc1cccc(CSCCNC(=O)c2ccccc2F)c1 ZINC000408563778 257229778 /nfs/dbraw/zinc/22/97/78/257229778.db2.gz PLQFIGLHVGIVIS-UHFFFAOYSA-N 0 0 303.402 3.797 40 0 DHABRN O=Cc1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)o1 ZINC000408553875 257229987 /nfs/dbraw/zinc/22/99/87/257229987.db2.gz QXQGKCDNXIBOQO-UHFFFAOYSA-N 0 0 305.746 3.682 40 0 DHABRN C/C(=C\c1ccccc1OC(=O)/C=C/c1ccccc1)[N+](=O)[O-] ZINC000408526404 257230335 /nfs/dbraw/zinc/23/03/35/257230335.db2.gz AIUVBOPOAKWZFS-LDHFCIDVSA-N 0 0 309.321 3.943 40 0 DHABRN COc1cccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)c1 ZINC000408531556 257230484 /nfs/dbraw/zinc/23/04/84/257230484.db2.gz UUSBJSZXACMXIV-UHFFFAOYSA-N 0 0 320.348 3.680 40 0 DHABRN COC(=O)c1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1 ZINC000328999284 257231109 /nfs/dbraw/zinc/23/11/09/257231109.db2.gz JVWKKHZTZROURI-UHFFFAOYSA-N 0 0 303.749 3.538 40 0 DHABRN CC(C)n1cc(Br)c(COCCC(F)(F)F)n1 ZINC000408716290 257215640 /nfs/dbraw/zinc/21/56/40/257215640.db2.gz LBHYIVULMFDIEG-UHFFFAOYSA-N 0 0 315.133 3.696 40 0 DHABRN CC(C)OCc1nn(CCC(F)(F)F)cc1Br ZINC000408716072 257215748 /nfs/dbraw/zinc/21/57/48/257215748.db2.gz INSKDZMAKLHKMR-UHFFFAOYSA-N 0 0 315.133 3.523 40 0 DHABRN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCOc2ccccc21 ZINC000131970068 196215489 /nfs/dbraw/zinc/21/54/89/196215489.db2.gz MASAWSMAODWIDL-UHFFFAOYSA-N 0 0 324.311 3.520 40 0 DHABRN Fc1ccccc1-c1nc2cnccn2c1NCc1ccco1 ZINC000072341881 262514142 /nfs/dbraw/zinc/51/41/42/262514142.db2.gz VAQDDJPIJSGGES-UHFFFAOYSA-N 0 0 308.316 3.741 40 0 DHABRN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000027393027 331605706 /nfs/dbraw/zinc/60/57/06/331605706.db2.gz RSVUNQQWZZPHKB-CQSZACIVSA-N 0 0 318.376 3.597 40 0 DHABRN Cc1cc(N2CCCC2)nc(COc2ccccc2Cl)n1 ZINC000020765525 333385633 /nfs/dbraw/zinc/38/56/33/333385633.db2.gz KSIRYIGIVLKOSA-UHFFFAOYSA-N 0 0 303.793 3.618 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1ccccc1 ZINC000216495553 333388656 /nfs/dbraw/zinc/38/86/56/333388656.db2.gz IMIIEBADMUKXRV-SFHVURJKSA-N 0 0 313.397 3.511 40 0 DHABRN Cc1cccc(C(=O)Nc2c3nsnc3ccc2Cl)c1 ZINC000057314046 333396850 /nfs/dbraw/zinc/39/68/50/333396850.db2.gz HAKJUSHVYUCPEG-UHFFFAOYSA-N 0 0 303.774 3.905 40 0 DHABRN CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(C)C1=O ZINC000408819989 333405473 /nfs/dbraw/zinc/40/54/73/333405473.db2.gz SKDNBQFEWQIDOL-GDNBJRDFSA-N 0 0 313.378 3.905 40 0 DHABRN Fc1ccc(F)c(Nc2cc(Cl)nc(-c3ccncc3)n2)c1 ZINC000329051971 534481032 /nfs/dbraw/zinc/48/10/32/534481032.db2.gz VATKZKCTOKVDMD-UHFFFAOYSA-N 0 0 318.714 3.636 40 0 DHABRN O=C(CN1Cc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000106303798 526821005 /nfs/dbraw/zinc/82/10/05/526821005.db2.gz HKGGFFKWHOVTAL-UHFFFAOYSA-N 0 0 320.314 3.660 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCCc2ccccc21 ZINC000020035604 535817848 /nfs/dbraw/zinc/81/78/48/535817848.db2.gz PWPRYCGHPAMUSS-GOSISDBHSA-N 0 0 313.372 3.963 40 0 DHABRN Cc1cc(N)c(NC(=O)C(C)C)cc1N1C[C@@H](C)C[C@H](C)C1 ZINC000216865426 563711679 /nfs/dbraw/zinc/71/16/79/563711679.db2.gz MJLXAJHXTJAJPX-STQMWFEESA-N 0 0 303.450 3.654 40 0 DHABRN CCCCCNC(=O)c1ccc(OC)c(COCCCC)c1 ZINC000224441931 563741895 /nfs/dbraw/zinc/74/18/95/563741895.db2.gz WSDKPEJJORSZQL-UHFFFAOYSA-N 0 0 307.434 3.932 40 0 DHABRN CCCCCNC(=S)Nc1cc(C(=O)OCC)ccc1C ZINC000225378639 563753372 /nfs/dbraw/zinc/75/33/72/563753372.db2.gz LPHYWYLFTUCXJQ-UHFFFAOYSA-N 0 0 308.447 3.648 40 0 DHABRN CC(C)NC(=O)c1ccc(Nc2ccc(Cl)cc2)c(N)c1 ZINC000225423886 563754621 /nfs/dbraw/zinc/75/46/21/563754621.db2.gz WHZWHWFKFBLVBS-UHFFFAOYSA-N 0 0 303.793 3.804 40 0 DHABRN CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1 ZINC000225693730 563759886 /nfs/dbraw/zinc/75/98/86/563759886.db2.gz IDSITHZAEJXPJS-GOSISDBHSA-N 0 0 323.433 3.636 40 0 DHABRN CCCC(=O)Nc1cc(C)c(NC(=O)C2CCCCC2)cn1 ZINC000001358297 563281453 /nfs/dbraw/zinc/28/14/53/563281453.db2.gz LETUTIJQPGDTOH-UHFFFAOYSA-N 0 0 303.406 3.647 40 0 DHABRN C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013671674 563385800 /nfs/dbraw/zinc/38/58/00/563385800.db2.gz ZJUBQXIBYWGUBD-JTQLQIEISA-N 0 0 322.257 3.555 40 0 DHABRN COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C ZINC000000000223 563211099 /nfs/dbraw/zinc/21/10/99/563211099.db2.gz ZXFQRFXLFWWKLX-UHFFFAOYSA-N 0 0 323.392 3.839 40 0 in-man DHABRN CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1C(F)(F)F ZINC000000057701 563212040 /nfs/dbraw/zinc/21/20/40/563212040.db2.gz PZKIFXHTZWWOMO-UHFFFAOYSA-N 0 0 318.682 3.721 40 0 DHABRN CC(C)=CCC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O ZINC000000052077 563212046 /nfs/dbraw/zinc/21/20/46/563212046.db2.gz FKRFVQBBBINMFD-ROUUACIJSA-N 0 0 303.402 3.852 40 0 DHABRN Cc1ccc(-c2nnc(NC(=O)Cc3ccccc3)s2)cc1 ZINC000000103601 563217583 /nfs/dbraw/zinc/21/75/83/563217583.db2.gz CCKLUNTUGAJJNL-UHFFFAOYSA-N 0 0 309.394 3.695 40 0 DHABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)c1 ZINC000034916281 563272603 /nfs/dbraw/zinc/27/26/03/563272603.db2.gz RBAQTISNVDTOPN-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1ccc(S(=O)(=O)Oc2cc(C)c3ccccc3n2)cc1 ZINC000001628079 563288514 /nfs/dbraw/zinc/28/85/14/563288514.db2.gz QJRNRLDBBWDXGJ-UHFFFAOYSA-N 0 0 313.378 3.619 40 0 DHABRN S=c1sc2c([nH]c(=S)[nH]c2=S)n1-c1ccccc1 ZINC000001632220 563288680 /nfs/dbraw/zinc/28/86/80/563288680.db2.gz LHPBLARKAFXYFQ-UHFFFAOYSA-N 0 0 309.466 3.789 40 0 DHABRN CC1(C)C=C(S(=O)(=O)c2ccccc2)Oc2ccccc2O1 ZINC000001647299 563289184 /nfs/dbraw/zinc/28/91/84/563289184.db2.gz VSOBNHIKOBGTCE-UHFFFAOYSA-N 0 0 316.378 3.552 40 0 DHABRN CCC1([NH2+][C@@H](Cc2ccccc2)c2ccccc2)COCOC1 ZINC000001668862 563289668 /nfs/dbraw/zinc/28/96/68/563289668.db2.gz IGYJSMIDQHNODT-IBGZPJMESA-N 0 0 311.425 3.713 40 0 DHABRN COc1ccc2c(Cc3cc(Cl)ccc3O)c[nH]cc-2c1=O ZINC000001719365 563293175 /nfs/dbraw/zinc/29/31/75/563293175.db2.gz IJYCYZBKWNLYDG-UHFFFAOYSA-N 0 0 315.756 3.899 40 0 DHABRN CCOC(=O)N1N=N[C@H](C)[C@@]1(c1ccccc1)N1CCCCC1 ZINC000001720308 563293282 /nfs/dbraw/zinc/29/32/82/563293282.db2.gz UUYWXVKCDSRUDH-RHSMWYFYSA-N 0 0 316.405 3.553 40 0 DHABRN CCNc1nc(NCC)c(Cl)c(C(Cl)(Cl)Cl)n1 ZINC000001757474 563295154 /nfs/dbraw/zinc/29/51/54/563295154.db2.gz ZNWHXIIZDMZHKS-UHFFFAOYSA-N 0 0 318.035 3.820 40 0 DHABRN O=C1O[C@@H]([C@H]2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 ZINC000001855492 563296544 /nfs/dbraw/zinc/29/65/44/563296544.db2.gz AKBGLPRWJDGEQF-FXAWDEMLSA-N 0 0 318.372 3.832 40 0 DHABRN Cc1cc(NCc2ccc(F)cc2)n2c3ccccc3nc2n1 ZINC000035311008 563331509 /nfs/dbraw/zinc/33/15/09/563331509.db2.gz YGYADNJEQPQQRJ-UHFFFAOYSA-N 0 0 306.344 3.942 40 0 DHABRN C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(=S)[nH]nc4c23)C1 ZINC000035312168 563331885 /nfs/dbraw/zinc/33/18/85/563331885.db2.gz VHUSWHWLUROSPD-SSDOTTSWSA-N 0 0 316.455 3.630 40 0 DHABRN COc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006897172 563334759 /nfs/dbraw/zinc/33/47/59/563334759.db2.gz KBYAFBOXYKHENM-UHFFFAOYSA-N 0 0 316.470 3.950 40 0 DHABRN c1nc2ncnc(N(Cc3ccccc3)c3ccccc3)c2[nH]1 ZINC000006953954 563334993 /nfs/dbraw/zinc/33/49/93/563334993.db2.gz BZDLXVUKDQMUAD-UHFFFAOYSA-N 0 0 301.353 3.691 40 0 DHABRN CCc1ccc(NC(=S)NCc2ccc(OC)cc2)cc1 ZINC000006941331 563335118 /nfs/dbraw/zinc/33/51/18/563335118.db2.gz TTYXKWLLUXIAAL-UHFFFAOYSA-N 0 0 300.427 3.744 40 0 DHABRN CC(=O)O[C@@H]1[C@@H](O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1 ZINC000035464639 563335323 /nfs/dbraw/zinc/33/53/23/563335323.db2.gz RRGRXDIGPVAQIW-FYQPLNBISA-N 0 0 310.393 3.640 40 0 biogenic,in-vitro DHABRN CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000008324584 563346042 /nfs/dbraw/zinc/34/60/42/563346042.db2.gz BAUXZCFDEPAAAY-UHFFFAOYSA-N 0 0 319.788 3.727 40 0 DHABRN O=c1[nH]c2ccccc2nc1C=Cn1c(=S)[nH]c2ccccc21 ZINC000008651932 563348596 /nfs/dbraw/zinc/34/85/96/563348596.db2.gz DETTWLLIHVOHGS-MDZDMXLPSA-N 0 0 320.377 3.563 40 0 DHABRN CCOC(=O)N/C(=C/c1ccccn1)c1ccc(Cl)cc1 ZINC000008652700 563348634 /nfs/dbraw/zinc/34/86/34/563348634.db2.gz SNCOGJDIPQBWQF-RVDMUPIBSA-N 0 0 302.761 3.979 40 0 DHABRN Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000035696777 563351274 /nfs/dbraw/zinc/35/12/74/563351274.db2.gz MPYIULAEVRYFRJ-UHFFFAOYSA-N 0 0 316.158 3.748 40 0 DHABRN COC(=O)c1cccc(NC(=O)CCc2ccccc2Cl)c1 ZINC000036718833 563354875 /nfs/dbraw/zinc/35/48/75/563354875.db2.gz NAADSGOICMTZAP-UHFFFAOYSA-N 0 0 317.772 3.698 40 0 DHABRN COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1F ZINC000010430018 563356999 /nfs/dbraw/zinc/35/69/99/563356999.db2.gz HXUZZVDEVLNPJL-UHFFFAOYSA-N 0 0 314.360 3.687 40 0 DHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)NC1CCCCC1 ZINC000010684208 563357545 /nfs/dbraw/zinc/35/75/45/563357545.db2.gz ORTORUMDBKGXSA-CYBMUJFWSA-N 0 0 317.433 3.669 40 0 DHABRN Cc1ccc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)o1 ZINC000012116075 563361583 /nfs/dbraw/zinc/36/15/83/563361583.db2.gz NYPTVRSUPWCXRY-QGZVFWFLSA-N 0 0 323.396 3.761 40 0 DHABRN Cc1cccc(-c2ocnc2C(=O)N[C@@H](C)c2ccccn2)c1 ZINC000012115136 563361970 /nfs/dbraw/zinc/36/19/70/563361970.db2.gz DGYPTMAZMGPRFV-ZDUSSCGKSA-N 0 0 307.353 3.536 40 0 DHABRN Cc1noc(-c2cnc(N3CCCCC3)nc2-c2ccco2)c1C ZINC000012186850 563363792 /nfs/dbraw/zinc/36/37/92/563363792.db2.gz QETISMYRUOHIAT-UHFFFAOYSA-N 0 0 324.384 3.999 40 0 DHABRN Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(Cl)c(F)c1 ZINC000012186498 563363927 /nfs/dbraw/zinc/36/39/27/563363927.db2.gz BHWRTOMGXHSKLK-PXAZEXFGSA-N 0 0 317.795 3.839 40 0 DHABRN COc1cc(CN2CCCCC[C@@H]2c2cc(C)on2)ccc1O ZINC000012185829 563364051 /nfs/dbraw/zinc/36/40/51/563364051.db2.gz QDUXXJVTMPQMQB-MRXNPFEDSA-N 0 0 316.401 3.815 40 0 DHABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012180973 563364141 /nfs/dbraw/zinc/36/41/41/563364141.db2.gz VDGSZCNWIVMSDQ-ZXFUBFMLSA-N 0 0 310.372 3.772 40 0 DHABRN CC(C)n1c2ncccc2nc1[C@H](C)NC(=O)C1CCCCC1 ZINC000012220599 563364658 /nfs/dbraw/zinc/36/46/58/563364658.db2.gz VHTZUJDTQBDCCB-ZDUSSCGKSA-N 0 0 314.433 3.770 40 0 DHABRN Cc1ccc(CSCC(=O)NCCCc2ccccc2)cc1 ZINC000013649369 563384522 /nfs/dbraw/zinc/38/45/22/563384522.db2.gz NQOHBNWUIRLNIB-UHFFFAOYSA-N 0 0 313.466 3.977 40 0 DHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCCCC1 ZINC000013686678 563385723 /nfs/dbraw/zinc/38/57/23/563385723.db2.gz CVXZGNIAUFZBQV-ZDUSSCGKSA-N 0 0 302.418 3.734 40 0 DHABRN CC(C)CNC(=S)Nc1ccc(Br)cc1F ZINC000013788511 563389270 /nfs/dbraw/zinc/38/92/70/563389270.db2.gz ZTJLNKZTDQYDBP-UHFFFAOYSA-N 0 0 305.216 3.531 40 0 DHABRN COc1ccc([C@H](C)NC(=S)Nc2ccccc2)cc1OC ZINC000013932303 563392726 /nfs/dbraw/zinc/39/27/26/563392726.db2.gz VJUYABMJBMOETL-LBPRGKRZSA-N 0 0 316.426 3.751 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1 ZINC000014219698 563398283 /nfs/dbraw/zinc/39/82/83/563398283.db2.gz NYZYEKLQRGWIOG-KRWDZBQOSA-N 0 0 303.427 3.566 40 0 DHABRN COC(=O)c1cc(O)cc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000015042852 563406076 /nfs/dbraw/zinc/40/60/76/563406076.db2.gz SKLXDUWXEGRQPE-UHFFFAOYSA-N 0 0 312.243 3.990 40 0 DHABRN CC(C)=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]21 ZINC000016138634 563411437 /nfs/dbraw/zinc/41/14/37/563411437.db2.gz ZXDQTOXNJLYQAL-OXUXUCFPSA-N 0 0 313.784 3.598 40 0 DHABRN Cc1ccc(NC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000016384880 563412192 /nfs/dbraw/zinc/41/21/92/563412192.db2.gz GHNKFLALUQTFQX-UHFFFAOYSA-N 0 0 313.426 3.506 40 0 DHABRN Cc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 ZINC000020137471 563416647 /nfs/dbraw/zinc/41/66/47/563416647.db2.gz WYRQRUNDOAQWQW-UHFFFAOYSA-N 0 0 307.349 4.000 40 0 DHABRN Clc1ccc(CSc2ncnc3[nH]cnc32)c(Cl)c1 ZINC000028405813 563431358 /nfs/dbraw/zinc/43/13/58/563431358.db2.gz UWXIRYNSPXFYIB-UHFFFAOYSA-N 0 0 311.197 3.952 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)C1CCCCC1 ZINC000030758955 563438248 /nfs/dbraw/zinc/43/82/48/563438248.db2.gz YRZPZBSJSGQYFF-QGZVFWFLSA-N 0 0 305.418 3.644 40 0 DHABRN CCOc1ccc(CCC(=O)N(C)C2CCCC2)cc1OCC ZINC000030752625 563438386 /nfs/dbraw/zinc/43/83/86/563438386.db2.gz GTOUPDIJKMZXML-UHFFFAOYSA-N 0 0 319.445 3.818 40 0 DHABRN COc1ccc(SCC(=O)N2CCCc3ccccc32)cc1 ZINC000030862735 563439254 /nfs/dbraw/zinc/43/92/54/563439254.db2.gz SXHMJJWBRLBQBD-UHFFFAOYSA-N 0 0 313.422 3.767 40 0 DHABRN CCc1ccccc1N1C(=O)C[C@H](Nc2c(C)cccc2C)C1=O ZINC000036635543 563456602 /nfs/dbraw/zinc/45/66/02/563456602.db2.gz LLOPQURAICMJQX-INIZCTEOSA-N 0 0 322.408 3.610 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000044880748 563463006 /nfs/dbraw/zinc/46/30/06/563463006.db2.gz FUXNSHUUJJIPJR-MRXNPFEDSA-N 0 0 321.323 3.770 40 0 DHABRN CSc1ccccc1C(=O)N[C@H](C)COc1ccccc1C ZINC000055693479 563477083 /nfs/dbraw/zinc/47/70/83/563477083.db2.gz NHSGUGZZOXFIKX-CQSZACIVSA-N 0 0 315.438 3.914 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccccc2F)C1 ZINC000089212518 563484465 /nfs/dbraw/zinc/48/44/65/563484465.db2.gz PGUYPXINVIJWMD-ZDUSSCGKSA-N 0 0 308.397 3.885 40 0 DHABRN COc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1OC ZINC000067788105 563490413 /nfs/dbraw/zinc/49/04/13/563490413.db2.gz FQKHABDCJRJISB-UHFFFAOYSA-N 0 0 305.761 3.538 40 0 DHABRN Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000069430796 563496099 /nfs/dbraw/zinc/49/60/99/563496099.db2.gz BIKUZZZALIKOHA-VSGCLNPGSA-N 0 0 323.392 3.657 40 0 DHABRN CC(C)OC(=O)c1cc(N)c(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000070462606 563497644 /nfs/dbraw/zinc/49/76/44/563497644.db2.gz NBHUJVVZLBYFGA-NSHDSACASA-N 0 0 310.825 3.866 40 0 DHABRN Cc1ccc(OCC(=O)NCc2ccc3ccccc3c2)cc1 ZINC000071865212 563501163 /nfs/dbraw/zinc/50/11/63/563501163.db2.gz GDTPULJKFBKIFL-UHFFFAOYSA-N 0 0 305.377 3.843 40 0 DHABRN CCOc1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 ZINC000072017174 563502054 /nfs/dbraw/zinc/50/20/54/563502054.db2.gz HPDBVFRAQVRFJW-UHFFFAOYSA-N 0 0 309.409 3.894 40 0 DHABRN COc1ccc(NCc2cc3sccc3n2C)cc1OC ZINC000072341656 563503752 /nfs/dbraw/zinc/50/37/52/563503752.db2.gz OTSTZNPHCGYOLH-UHFFFAOYSA-N 0 0 302.399 3.869 40 0 DHABRN Nc1ncccc1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000089263299 563523955 /nfs/dbraw/zinc/52/39/55/563523955.db2.gz RGVQPIABMWPYGQ-UHFFFAOYSA-N 0 0 307.140 3.688 40 0 DHABRN Cc1ccc(-c2noc(COc3ccc(C=O)cc3)n2)c(C)c1 ZINC000089262922 563524099 /nfs/dbraw/zinc/52/40/99/563524099.db2.gz ARASPALQMCVXPO-UHFFFAOYSA-N 0 0 308.337 3.745 40 0 DHABRN CC(C)n1ccc(-c2cc(C(=O)N3CCCC3)c3ccccn23)n1 ZINC000096154704 563534630 /nfs/dbraw/zinc/53/46/30/563534630.db2.gz JRUQGIWXWSJVMJ-UHFFFAOYSA-N 0 0 322.412 3.620 40 0 DHABRN CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)c(C)c2)C1=O ZINC000101275671 563557131 /nfs/dbraw/zinc/55/71/31/563557131.db2.gz ZMACFTRFKLAXBC-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN CC(C)N1c2ccccc2C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000101883391 563558639 /nfs/dbraw/zinc/55/86/39/563558639.db2.gz CEZGEJJEWWAVNO-UHFFFAOYSA-N 0 0 324.424 3.568 40 0 DHABRN CCOc1ccc(Cl)cc1NC(=O)c1ccc(C)c(N)c1 ZINC000037768697 563573963 /nfs/dbraw/zinc/57/39/63/563573963.db2.gz ASKCMWWHJYNEPF-UHFFFAOYSA-N 0 0 304.777 3.882 40 0 DHABRN CCc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OC ZINC000113970997 563587147 /nfs/dbraw/zinc/58/71/47/563587147.db2.gz TWKKEFMWAHILDK-UHFFFAOYSA-N 0 0 319.426 3.675 40 0 DHABRN CCCCN1C(=O)/C(=C\c2sccc2C)C(C(=O)OC)=C1C ZINC000006322984 563592398 /nfs/dbraw/zinc/59/23/98/563592398.db2.gz BNUSLAUHRPLDOC-RAXLEYEMSA-N 0 0 319.426 3.529 40 0 DHABRN C[C@]12CC[C@H]3[C@@H](CC[C@]4(C)CC(=O)CC[C@]34C)[C@]1(O)CCC2=O ZINC000118915105 563593615 /nfs/dbraw/zinc/59/36/15/563593615.db2.gz BFCOSNMGHLCEIQ-TZGIUIGCSA-N 0 0 318.457 3.672 40 0 DHABRN Cc1ccc(OCC(=O)Nc2cccc3nc(C)ccc32)cc1 ZINC000044443013 563602253 /nfs/dbraw/zinc/60/22/53/563602253.db2.gz ZTSACNVCCJTWDR-UHFFFAOYSA-N 0 0 306.365 3.869 40 0 DHABRN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccccc1 ZINC000000176465 563606853 /nfs/dbraw/zinc/60/68/53/563606853.db2.gz QTHGDQKHIBWNCF-MKMNVTDBSA-N 0 0 319.694 3.963 40 0 DHABRN Cc1cccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 ZINC000000358004 563608415 /nfs/dbraw/zinc/60/84/15/563608415.db2.gz GMCBVWXPXJUHMG-UHFFFAOYSA-N 0 0 309.394 3.690 40 0 DHABRN Cc1cccc2nc(-c3ccc(O)cc3)c(NC[C@H]3CCCO3)n21 ZINC000000417425 563608675 /nfs/dbraw/zinc/60/86/75/563608675.db2.gz LYILSOOPECFVRW-MRXNPFEDSA-N 0 0 323.396 3.606 40 0 DHABRN CCc1nnc(NC(=O)c2csc3c2CC[C@@H](CC)C3)s1 ZINC000000538881 563609552 /nfs/dbraw/zinc/60/95/52/563609552.db2.gz CNDHSXLKDLKUSD-SECBINFHSA-N 0 0 321.471 3.929 40 0 DHABRN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)nc1 ZINC000001353237 563620730 /nfs/dbraw/zinc/62/07/30/563620730.db2.gz PHCOHAZRBHWXNX-UHFFFAOYSA-N 0 0 317.776 3.582 40 0 DHABRN O=C(CN1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004902402 563623517 /nfs/dbraw/zinc/62/35/17/563623517.db2.gz PHMJRIZGHFBHPJ-UHFFFAOYSA-N 0 0 310.397 3.903 40 0 DHABRN CCCN1Cn2c3ccccc3nc2N(CCc2ccccc2)C1 ZINC000007499272 563640584 /nfs/dbraw/zinc/64/05/84/563640584.db2.gz NCVDWUUGJUGXGP-UHFFFAOYSA-N 0 0 320.440 3.726 40 0 DHABRN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 ZINC000007882568 563641111 /nfs/dbraw/zinc/64/11/11/563641111.db2.gz YYNGNJRIMNCHRI-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 ZINC000008051291 563641718 /nfs/dbraw/zinc/64/17/18/563641718.db2.gz XSYASSGJDVAIGT-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN CCc1ccccc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000009064037 563644752 /nfs/dbraw/zinc/64/47/52/563644752.db2.gz UIFYKFOWHPNTOS-UHFFFAOYSA-N 0 0 302.374 3.515 40 0 DHABRN O=C1COc2ccccc2N1Cc1ccc(-c2ccccc2)o1 ZINC000009295562 563645329 /nfs/dbraw/zinc/64/53/29/563645329.db2.gz FRZJAUSOFINYHU-UHFFFAOYSA-N 0 0 305.333 3.872 40 0 DHABRN CCOC(=O)c1ccccc1NC(=O)CCc1ccc(C)cc1 ZINC000010336615 563648367 /nfs/dbraw/zinc/64/83/67/563648367.db2.gz IFIUDNLSDCCONM-UHFFFAOYSA-N 0 0 311.381 3.743 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c(C)c1 ZINC000113959476 563658081 /nfs/dbraw/zinc/65/80/81/563658081.db2.gz JHEPPWXVEYCMNK-LBPRGKRZSA-N 0 0 305.324 3.988 40 0 DHABRN CCc1nc2sc3c(c2c2n[nH]c(=S)n21)CC[C@H](C)C3 ZINC000013535018 563659716 /nfs/dbraw/zinc/65/97/16/563659716.db2.gz VIDVXNZCSQTCLW-ZETCQYMHSA-N 0 0 304.444 3.689 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(F)cc2F)C1 ZINC000039953974 563661422 /nfs/dbraw/zinc/66/14/22/563661422.db2.gz DGCGITXUIWTRMG-GFCCVEGCSA-N 0 0 313.344 3.743 40 0 DHABRN COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1C ZINC000011287790 563664042 /nfs/dbraw/zinc/66/40/42/563664042.db2.gz UWUDHEASYTYRMW-GBXVVTRASA-N 0 0 312.413 3.606 40 0 DHABRN CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014303497 563667404 /nfs/dbraw/zinc/66/74/04/563667404.db2.gz KQJFGBWZPUBRNN-UHFFFAOYSA-N 0 0 321.417 3.770 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)NCCSC2CCCCC2)c1 ZINC000014396242 563667733 /nfs/dbraw/zinc/66/77/33/563667733.db2.gz ASTKQSWTUHLRTL-HNNXBMFYSA-N 0 0 321.486 3.944 40 0 DHABRN Cc1ccc(OCCCC(=O)NCCSC(C)(C)C)cc1 ZINC000014400630 563671439 /nfs/dbraw/zinc/67/14/39/563671439.db2.gz YBGQKVXFVRYKRE-UHFFFAOYSA-N 0 0 309.475 3.802 40 0 DHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1F ZINC000014796236 563672433 /nfs/dbraw/zinc/67/24/33/563672433.db2.gz CXLVGHFEPLNGNI-GFCCVEGCSA-N 0 0 314.360 3.606 40 0 DHABRN COc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000010542988 563674419 /nfs/dbraw/zinc/67/44/19/563674419.db2.gz LHBNJJMOHPEFBO-OAHLLOKOSA-N 0 0 311.381 3.727 40 0 DHABRN C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5n[nH]cc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004625582 563688288 /nfs/dbraw/zinc/68/82/88/563688288.db2.gz GZCJWTCFQKPYQN-HOSJZOFRSA-N 0 0 314.473 3.728 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1Cl ZINC000216296416 563708854 /nfs/dbraw/zinc/70/88/54/563708854.db2.gz QPPBOCLMBVSNKN-UHFFFAOYSA-N 0 0 303.745 3.769 40 0 DHABRN COC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1C ZINC000216427713 563709825 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biogenic,in-vitro DHABRN CC(C)C(=O)Nc1cc(N2CCC(C)CC2)c(N)cc1Cl ZINC000045891804 563888366 /nfs/dbraw/zinc/88/83/66/563888366.db2.gz GSFQBTHZODWURW-UHFFFAOYSA-N 0 0 309.841 3.753 40 0 DHABRN O=c1[nH]cncc1-c1cc(Cl)ccc1OCc1ccccc1 ZINC000096312709 563891527 /nfs/dbraw/zinc/89/15/27/563891527.db2.gz ZQKBXXVTLZPILG-UHFFFAOYSA-N 0 0 312.756 3.669 40 0 DHABRN S=C(Cc1ccc(C2CCCCC2)cc1)N1CCOCC1 ZINC000196295534 563909803 /nfs/dbraw/zinc/90/98/03/563909803.db2.gz WGUXGSQYKQLDDV-UHFFFAOYSA-N 0 0 303.471 3.936 40 0 DHABRN NC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 ZINC000225450077 563914734 /nfs/dbraw/zinc/91/47/34/563914734.db2.gz YGPDSYVAAQLUKH-UHFFFAOYSA-N 0 0 317.392 3.569 40 0 DHABRN CCCCc1ccc(NC(=O)C(=O)NCCC2CCCC2)cc1 ZINC000006652817 563921615 /nfs/dbraw/zinc/92/16/15/563921615.db2.gz SZSHODDVOSCZTF-UHFFFAOYSA-N 0 0 316.445 3.664 40 0 DHABRN CCN(C(=O)COC(=O)c1ccccc1Cl)c1ccccc1 ZINC000006950691 563921711 /nfs/dbraw/zinc/92/17/11/563921711.db2.gz FUFFTOTUTYBKQF-UHFFFAOYSA-N 0 0 317.772 3.550 40 0 DHABRN N#C/C(=C/c1cccn1-c1ccccc1F)C(=O)NC1CCCC1 ZINC000007093338 563921998 /nfs/dbraw/zinc/92/19/98/563921998.db2.gz CSVNSAMECUCFSG-OWBHPGMISA-N 0 0 323.371 3.582 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)Nc2c(F)cccc2F)c(C)c1 ZINC000008040573 563922148 /nfs/dbraw/zinc/92/21/48/563922148.db2.gz QACCVBVTNBCTHU-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN COc1ccccc1C(=O)NCCSCc1cccc(C)c1 ZINC000010040705 563922429 /nfs/dbraw/zinc/92/24/29/563922429.db2.gz WYARMWSGHJUQLC-UHFFFAOYSA-N 0 0 315.438 3.667 40 0 DHABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 ZINC000008498285 563922489 /nfs/dbraw/zinc/92/24/89/563922489.db2.gz XBWZNEDQQYNXFP-KRWDZBQOSA-N 0 0 317.816 3.856 40 0 DHABRN COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000011287307 563922772 /nfs/dbraw/zinc/92/27/72/563922772.db2.gz WAIFQVRWOKIIDH-BRFSQIRFSA-N 0 0 320.392 3.788 40 0 DHABRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(C)C ZINC000016406570 563922818 /nfs/dbraw/zinc/92/28/18/563922818.db2.gz NXCIFXXJGROFJC-UHFFFAOYSA-N 0 0 322.360 3.945 40 0 DHABRN C[C@@H]1c2[nH]c3ccccc3c2CCN1C[C@@H](O)c1cccs1 ZINC000019498296 563922857 /nfs/dbraw/zinc/92/28/57/563922857.db2.gz XUVWJJQEZLOFGT-MLGOLLRUSA-N 0 0 312.438 3.882 40 0 DHABRN COC(=O)c1ccc(-c2cc(C=O)c(O)c(C(C)(C)C)c2)cc1 ZINC000514267335 563927236 /nfs/dbraw/zinc/92/72/36/563927236.db2.gz FDMSWCLTITVCTD-UHFFFAOYSA-N 0 0 312.365 3.956 40 0 DHABRN CC(C)(C)c1ccc(-c2nnc([C@@H](N)c3ccccc3)[nH]2)cc1 ZINC000095533465 563931853 /nfs/dbraw/zinc/93/18/53/563931853.db2.gz UVNIZPJGGOHQTM-INIZCTEOSA-N 0 0 306.413 3.817 40 0 DHABRN CC(C)(C)OC(=O)NC[C@H]1CCCC(=O)[C@H]1c1ccccc1 ZINC000225751174 563938620 /nfs/dbraw/zinc/93/86/20/563938620.db2.gz QRGRWLRFDOFXKK-ZBFHGGJFSA-N 0 0 303.402 3.664 40 0 DHABRN CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1OC(=O)c2ccccc21 ZINC000225810362 563938753 /nfs/dbraw/zinc/93/87/53/563938753.db2.gz WBTFUDVCQUROJX-QGZVFWFLSA-N 0 0 321.332 3.604 40 0 DHABRN Fc1cccc(F)c1Nc1cc(Cl)nc(-c2cccnc2)n1 ZINC000328981731 563959706 /nfs/dbraw/zinc/95/97/06/563959706.db2.gz GVRCZBJTVCCIOW-UHFFFAOYSA-N 0 0 318.714 4.214 40 0 DHABRN Cc1ccc(CNc2cc(Cl)nc(-c3cccnc3)n2)cc1 ZINC000329037494 563960058 /nfs/dbraw/zinc/96/00/58/563960058.db2.gz RNIMEDGRLFIBLS-UHFFFAOYSA-N 0 0 310.788 4.113 40 0 DHABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC(C)C)n2)cc1 ZINC000329064409 563960090 /nfs/dbraw/zinc/96/00/90/563960090.db2.gz XJUQVPKWKPAEEH-UHFFFAOYSA-N 0 0 319.412 4.411 40 0 DHABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC3CC3)n2)cc1 ZINC000329071642 563960148 /nfs/dbraw/zinc/96/01/48/563960148.db2.gz ZSBBMGFPOCUVFE-UHFFFAOYSA-N 0 0 317.396 4.165 40 0 DHABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC(C)C)n2)cc1 ZINC000329010884 563960160 /nfs/dbraw/zinc/96/01/60/563960160.db2.gz MCYPJAZONLINTJ-UHFFFAOYSA-N 0 0 319.412 4.411 40 0 DHABRN CCc1ccc([C@H](C)NC(=O)COc2cccc(OC)c2)cc1 ZINC000044508809 568413006 /nfs/dbraw/zinc/41/30/06/568413006.db2.gz ADAVWYWTEJZPPK-AWEZNQCLSA-N 0 0 313.397 3.514 40 0 DHABRN Cc1ccc(OCCNC(=S)Nc2ccc(F)cc2F)cc1 ZINC000048226760 568413106 /nfs/dbraw/zinc/41/31/06/568413106.db2.gz GVYSMCXNAPBUFB-UHFFFAOYSA-N 0 0 322.380 3.639 40 0 DHABRN CC(C)Oc1c(I)ccc2cccnc21 ZINC000196967067 568415108 /nfs/dbraw/zinc/41/51/08/568415108.db2.gz HFLKHTJOTCRFAL-UHFFFAOYSA-N 0 0 313.138 3.627 40 0 DHABRN C[C@]12CCc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 ZINC000003983999 574412129 /nfs/dbraw/zinc/41/21/29/574412129.db2.gz DNJVYWXIDISQRD-IGRKRLTGSA-N 0 0 316.441 3.639 40 0 endogenous,in-man DHABRN Cc1cc(C)nc(SCC(=O)Nc2ccccc2C(F)F)n1 ZINC000343097125 1016871395 /nfs/dbraw/zinc/87/13/95/1016871395.db2.gz MFHVJPYSQYULKH-UHFFFAOYSA-N 0 0 323.368 3.762 40 0 DHABRN FCc1c(Br)cccc1I ZINC001504206465 1017844754 /nfs/dbraw/zinc/84/47/54/1017844754.db2.gz IDRDTXBZKLRFIH-UHFFFAOYSA-N 0 0 314.923 3.523 40 0 DHABRN O=C1S/C(=C\c2ccc[nH]2)C(=O)N1c1cccc(Cl)c1 ZINC000210198880 1019317775 /nfs/dbraw/zinc/31/77/75/1019317775.db2.gz SRWCHQJCIJKPAO-WQLSENKSSA-N 0 0 304.758 3.909 40 0 DHABRN Cc1c([C@H](N)C(F)(F)F)sc2nc(-c3ccccc3)cn12 ZINC000211441095 1019318900 /nfs/dbraw/zinc/31/89/00/1019318900.db2.gz JFTLGCPIBXQTPS-LBPRGKRZSA-N 0 0 311.332 3.933 40 0 DHABRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cc(F)ccc1F)CC2=O ZINC000001432755 1020361766 /nfs/dbraw/zinc/36/17/66/1020361766.db2.gz YKHCTGYPQZAKSW-DLBZAZTESA-N 0 0 307.340 3.689 40 0 DHABRN COc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1N ZINC000111309973 1021623424 /nfs/dbraw/zinc/62/34/24/1021623424.db2.gz NHHWBFXDQXXAAA-UHFFFAOYSA-N 0 0 301.733 3.648 40 0 DHABRN Cc1ccsc1CN(Cc1cccc(F)c1F)C[C@@H](C)O ZINC000013991640 1022009770 /nfs/dbraw/zinc/00/97/70/1022009770.db2.gz HCLHKZCODNLRSG-GFCCVEGCSA-N 0 0 311.397 3.718 40 0 DHABRN Clc1ncnc(-c2cncc(Br)c2)c1Cl ZINC000095097446 1022018603 /nfs/dbraw/zinc/01/86/03/1022018603.db2.gz OZNHWZRPHAWXOG-UHFFFAOYSA-N 0 0 304.962 3.608 40 0 DHABRN Fc1cc(F)cc(NC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000071760986 1022491393 /nfs/dbraw/zinc/49/13/93/1022491393.db2.gz WWUSWRPQWPFGRR-UHFFFAOYSA-N 0 0 308.309 3.502 40 0 DHABRN COc1ccc(CCCNC(=O)c2cc3ccccc3o2)cc1 ZINC000219945738 1024570332 /nfs/dbraw/zinc/57/03/32/1024570332.db2.gz AOKVJOOWYHBVFR-UHFFFAOYSA-N 0 0 309.365 3.804 40 0 DHABRN COc1cc2[nH]c(Cc3ccccc3)nc2c(Br)c1 ZINC000216912261 1028009482 /nfs/dbraw/zinc/00/94/82/1028009482.db2.gz HRLSTRXIXGXWBJ-UHFFFAOYSA-N 0 0 317.186 3.925 40 0 DHABRN Cc1ccc(N2N[C@](C)(c3ccc(Cl)cc3)NC2=S)cc1 ZINC000225342030 201694898 /nfs/dbraw/zinc/69/48/98/201694898.db2.gz DDNKDZIRZBHZPX-MRXNPFEDSA-N 0 0 317.845 3.720 40 0 DHABRN CC1(C)COc2ccc(C(=O)N3CCCCCC3)cc2OC1 ZINC000225361310 201696816 /nfs/dbraw/zinc/69/68/16/201696816.db2.gz OMEGMWHJLGZRMV-UHFFFAOYSA-N 0 0 303.402 3.500 40 0 DHABRN COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000096659241 185384932 /nfs/dbraw/zinc/38/49/32/185384932.db2.gz XZLCGJRBENOILS-UHFFFAOYSA-N 0 0 319.426 3.730 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(c2[nH]nc3ccc(F)cc32)CC1 ZINC000079036102 185147805 /nfs/dbraw/zinc/14/78/05/185147805.db2.gz TYEFAYBFYAEMQR-UHFFFAOYSA-N 0 0 319.380 3.817 40 0 DHABRN CC(C)(C)OC(=O)N1CCCC[C@H]1CSc1ccccn1 ZINC000079440876 185171741 /nfs/dbraw/zinc/17/17/41/185171741.db2.gz QZWKWQBIXLBEJQ-ZDUSSCGKSA-N 0 0 308.447 3.963 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](CSc2ccccn2)C1 ZINC000079440869 185171841 /nfs/dbraw/zinc/17/18/41/185171841.db2.gz MCMIWNRZIRETHM-CYBMUJFWSA-N 0 0 308.447 3.821 40 0 DHABRN Cc1cccc(Nc2cc(C(F)(F)F)nc(NC(C)C)n2)c1C ZINC000329014822 231414117 /nfs/dbraw/zinc/41/41/17/231414117.db2.gz MYYQDZJHOIPDDX-UHFFFAOYSA-N 0 0 324.350 3.520 40 0 DHABRN O=C(Nc1ccc(F)cc1)c1snnc1-c1ccc(F)cc1 ZINC000225778191 201744273 /nfs/dbraw/zinc/74/42/73/201744273.db2.gz HIDCZMLJAAHHSX-UHFFFAOYSA-N 0 0 317.320 3.736 40 0 DHABRN CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)C)cc1C(=O)OC ZINC000225784831 201746268 /nfs/dbraw/zinc/74/62/68/201746268.db2.gz ZSWQUTYILBLTFD-LLVKDONJSA-N 0 0 307.390 3.635 40 0 DHABRN CC(C)Oc1cccc(NC(=S)NCCCc2ccco2)c1 ZINC000225805484 201749512 /nfs/dbraw/zinc/74/95/12/201749512.db2.gz OZGPLEMXWIETAZ-UHFFFAOYSA-N 0 0 318.442 3.986 40 0 DHABRN COc1ccc(NC(=O)C2(OC)CCCC2)cc1C(F)(F)F ZINC000225803611 201750058 /nfs/dbraw/zinc/75/00/58/201750058.db2.gz QPTSXHKBCGMUBO-UHFFFAOYSA-N 0 0 317.307 3.612 40 0 DHABRN Fc1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 ZINC000225855215 201756313 /nfs/dbraw/zinc/75/63/13/201756313.db2.gz ZNGLAVZQXIUHMO-UHFFFAOYSA-N 0 0 315.417 3.977 40 0 DHABRN C[C@H](NC(=O)c1ccc2nc(Cl)oc2c1)c1ccccc1 ZINC000225977491 201765216 /nfs/dbraw/zinc/76/52/16/201765216.db2.gz QISPTSFYNZXNBF-JTQLQIEISA-N 0 0 300.745 3.972 40 0 DHABRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000139628171 186023235 /nfs/dbraw/zinc/02/32/35/186023235.db2.gz RLMGBYSIIULZOC-AWEZNQCLSA-N 0 0 313.397 3.514 40 0 DHABRN COc1ccc([C@H](C)NC(=O)Cc2ccccc2Cl)cc1 ZINC000139680409 186023295 /nfs/dbraw/zinc/02/32/95/186023295.db2.gz AJUAMALYYMMUHV-LBPRGKRZSA-N 0 0 303.789 3.769 40 0 DHABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1C ZINC000072228944 191077211 /nfs/dbraw/zinc/07/72/11/191077211.db2.gz CMYHZELXPDCEEW-UHFFFAOYSA-N 0 0 320.396 3.699 40 0 DHABRN C[C@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(Cl)cc1 ZINC000164034589 186146443 /nfs/dbraw/zinc/14/64/43/186146443.db2.gz LJXWSUCOGZGATH-NSHDSACASA-N 0 0 313.788 3.718 40 0 DHABRN O=C(NCCSC1CCCC1)c1ccc2c(c1)CCCC2 ZINC000225636461 186285370 /nfs/dbraw/zinc/28/53/70/186285370.db2.gz KOUCTYJOQBDPEV-UHFFFAOYSA-N 0 0 303.471 3.971 40 0 DHABRN CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C ZINC000225645308 186286393 /nfs/dbraw/zinc/28/63/93/186286393.db2.gz JOIYOSKMQZXBHE-UGSOOPFHSA-N 0 0 305.418 3.926 40 0 DHABRN CC(=O)N1CCC[C@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072357567 191129844 /nfs/dbraw/zinc/12/98/44/191129844.db2.gz DAQBOHPHUWRBKI-SFHVURJKSA-N 0 0 308.425 3.707 40 0 DHABRN CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(F)c(F)c3)cn2)C1 ZINC000072365761 191135266 /nfs/dbraw/zinc/13/52/66/191135266.db2.gz IZELKAGCBYQSDN-OAHLLOKOSA-N 0 0 316.351 3.753 40 0 DHABRN CC(=O)N1CCC[C@@H]1c1cccc(Oc2ccccc2F)n1 ZINC000072386862 191144714 /nfs/dbraw/zinc/14/47/14/191144714.db2.gz GOTWEUMVEXSCJQ-OAHLLOKOSA-N 0 0 300.333 3.696 40 0 DHABRN CCc1ncc(CN2CCc3c4ccccc4[nH]c3[C@@H]2C)cn1 ZINC000072391470 191147201 /nfs/dbraw/zinc/14/72/01/191147201.db2.gz TYJXUYPIUSQMHW-ZDUSSCGKSA-N 0 0 306.413 3.640 40 0 DHABRN Cc1cccc2cc3c(nc12)OCCN(Cc1ccccc1)C3 ZINC000072392252 191147536 /nfs/dbraw/zinc/14/75/36/191147536.db2.gz MTHCLTPREKZEBO-UHFFFAOYSA-N 0 0 304.393 3.938 40 0 DHABRN Cc1cnc2[nH]c(C(C)C)c(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000072395264 191149240 /nfs/dbraw/zinc/14/92/40/191149240.db2.gz VMCZPRQLNYTVSC-KBPBESRZSA-N 0 0 301.434 3.604 40 0 DHABRN Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 ZINC000072386317 191145356 /nfs/dbraw/zinc/14/53/56/191145356.db2.gz HLSPDTTXCAIIFW-ZDUSSCGKSA-N 0 0 311.376 3.597 40 0 DHABRN O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(Cl)c1 ZINC000000055436 180680110 /nfs/dbraw/zinc/68/01/10/180680110.db2.gz FTPVDACFDMKJSZ-NTEUORMPSA-N 0 0 301.704 3.824 40 0 DHABRN COc1ccc(C(=O)Nc2cnc3c(C)cccc3c2)c(OC)c1 ZINC000072414073 191155451 /nfs/dbraw/zinc/15/54/51/191155451.db2.gz DILVRCBRGGIKRA-UHFFFAOYSA-N 0 0 322.364 3.813 40 0 DHABRN FC(F)(F)c1ccc2nnc(-c3c[nH]c4ccccc34)n2c1 ZINC000000097848 180691163 /nfs/dbraw/zinc/69/11/63/180691163.db2.gz GPFURNRMDWOING-UHFFFAOYSA-N 0 0 302.259 3.896 40 0 DHABRN COc1ccc(OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000000201788 180723320 /nfs/dbraw/zinc/72/33/20/180723320.db2.gz LSJKRVRGKCUGDL-LIRRHRJNSA-N 0 0 317.429 3.501 40 0 DHABRN Cc1cc2ccccc2nc1SCC(=O)N1CCC[C@@H](C)C1 ZINC000000416346 180781787 /nfs/dbraw/zinc/78/17/87/180781787.db2.gz ZUFWDBUIYRFILK-CYBMUJFWSA-N 0 0 314.454 3.894 40 0 DHABRN Cc1cnc(NC(=O)c2sc3nc(C)cc(C)c3c2N)s1 ZINC000000422680 180784255 /nfs/dbraw/zinc/78/42/55/180784255.db2.gz GCLBEAOIOHIRFO-UHFFFAOYSA-N 0 0 318.427 3.513 40 0 DHABRN CCSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000000422497 180784615 /nfs/dbraw/zinc/78/46/15/180784615.db2.gz KTUXSFRVURQAPZ-UHFFFAOYSA-N 0 0 311.410 3.958 40 0 DHABRN Cc1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1C ZINC000000568782 180823160 /nfs/dbraw/zinc/82/31/60/180823160.db2.gz VCVFXLNYZQJKGU-UHFFFAOYSA-N 0 0 313.441 3.623 40 0 DHABRN COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C=C[C@H]21 ZINC000001705290 180889566 /nfs/dbraw/zinc/88/95/66/180889566.db2.gz WWHOUZIYZYQBEU-NEWSRXKRSA-N 0 0 300.398 3.959 40 0 DHABRN CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001632292 180881489 /nfs/dbraw/zinc/88/14/89/180881489.db2.gz KEWFCLDAAYJNMJ-UHFFFAOYSA-N 0 0 317.385 3.723 40 0 DHABRN Cc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)oc2n1 ZINC000002503969 180928613 /nfs/dbraw/zinc/92/86/13/180928613.db2.gz FTMNWCNORUCWLR-UHFFFAOYSA-N 0 0 300.745 3.911 40 0 DHABRN Cc1ccc(-c2csc3nc(C(F)(F)F)cc(=O)n23)cc1 ZINC000003849192 181049303 /nfs/dbraw/zinc/04/93/03/181049303.db2.gz OBNISPCFXUCLRQ-UHFFFAOYSA-N 0 0 310.300 3.750 40 0 DHABRN Cc1ccc(C(c2ccc(C)o2)c2cc3c(cc2N)OCO3)o1 ZINC000003850583 181049875 /nfs/dbraw/zinc/04/98/75/181049875.db2.gz KBKHKSVSYINGLX-UHFFFAOYSA-N 0 0 311.337 3.981 40 0 DHABRN FC(F)(F)c1nn2c(nc(-c3ccccc3)nc2=S)s1 ZINC000003850803 181050041 /nfs/dbraw/zinc/05/00/41/181050041.db2.gz YVWFIDCMHJSAOZ-UHFFFAOYSA-N 0 0 314.317 3.601 40 0 DHABRN COc1cc2c(cc1O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000003870818 181050853 /nfs/dbraw/zinc/05/08/53/181050853.db2.gz CQOQDQWUFQDJMK-QBQAKCNGSA-N 0 0 302.414 3.618 40 0 investigational DHABRN O[C@@](c1cccs1)(c1cccnc1)C(Cl)(Cl)Cl ZINC000003844304 181048463 /nfs/dbraw/zinc/04/84/63/181048463.db2.gz FEWHNKCCYPQMRH-SNVBAGLBSA-N 0 0 308.617 3.749 40 0 DHABRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC21OCCO1 ZINC000004025582 181063810 /nfs/dbraw/zinc/06/38/10/181063810.db2.gz TWYONAIDRKGWBX-RDGPPVDQSA-N 0 0 314.425 3.991 40 0 DHABRN CCOC(=O)c1c(-c2ccccc2)cnnc1-c1ccccc1 ZINC000003939411 181057910 /nfs/dbraw/zinc/05/79/10/181057910.db2.gz SOULOUOKDWTQIT-UHFFFAOYSA-N 0 0 304.349 3.987 40 0 DHABRN O=C(CSCc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004179418 181082534 /nfs/dbraw/zinc/08/25/34/181082534.db2.gz FVARRZHXSIQVPL-GUTXKFCHSA-N 0 0 309.862 3.878 40 0 DHABRN O=C(NCc1ccc(-n2cccc2)cc1)c1c(F)cccc1F ZINC000004628851 181130762 /nfs/dbraw/zinc/13/07/62/181130762.db2.gz 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ZINC000017055969 182073243 /nfs/dbraw/zinc/07/32/43/182073243.db2.gz NYWVUKAVZBNGFY-LBPRGKRZSA-N 0 0 322.339 3.630 40 0 DHABRN COc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1F ZINC000018014016 182089755 /nfs/dbraw/zinc/08/97/55/182089755.db2.gz IFGUGMMEFMKGIM-ZDUSSCGKSA-N 0 0 301.361 3.942 40 0 DHABRN O=C(CC1CCCC1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000019014576 182103212 /nfs/dbraw/zinc/10/32/12/182103212.db2.gz CUKQJGPIYDFRBA-OAHLLOKOSA-N 0 0 317.433 3.623 40 0 DHABRN Cn1ccc([C@@H]2CCCCCN2Cc2cc(F)cc(F)c2)n1 ZINC000019291056 182113212 /nfs/dbraw/zinc/11/32/12/182113212.db2.gz XMWMJSFUJVFTKS-KRWDZBQOSA-N 0 0 305.372 3.816 40 0 DHABRN C[C@@H](Cc1ccccc1)NN1CCO[C@H](c2ccccc2)[C@H]1C ZINC000019170577 182106531 /nfs/dbraw/zinc/10/65/31/182106531.db2.gz KBRSLPYGHGQKNS-QKLQHJQFSA-N 0 0 310.441 3.584 40 0 DHABRN O=C(Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000019426543 182122632 /nfs/dbraw/zinc/12/26/32/182122632.db2.gz XYGMFOPICFZDCC-UHFFFAOYSA-N 0 0 312.113 3.980 40 0 DHABRN CCc1cc(C(=O)N[C@@H]2[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)on1 ZINC000019522772 182127536 /nfs/dbraw/zinc/12/75/36/182127536.db2.gz QNPXYBONLNWHNH-CAMMJAKZSA-N 0 0 324.424 3.939 40 0 DHABRN O=c1oc(-c2ccc(Cl)cc2)nc(O)c1Cc1ccccc1 ZINC000019596964 182132730 /nfs/dbraw/zinc/13/27/30/182132730.db2.gz YYXKGYMGTTZLSS-UHFFFAOYSA-N 0 0 313.740 3.652 40 0 DHABRN Cc1ccc(CN(C)S(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000020035008 182182030 /nfs/dbraw/zinc/18/20/30/182182030.db2.gz SBLAHKAXUVIKOY-UHFFFAOYSA-N 0 0 323.845 3.610 40 0 DHABRN CC[C@@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccccc1 ZINC000020045175 182182993 /nfs/dbraw/zinc/18/29/93/182182993.db2.gz CWQYRUDHXITVEJ-KBXCAEBGSA-N 0 0 313.397 3.730 40 0 DHABRN COc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccccc1 ZINC000020038377 182183015 /nfs/dbraw/zinc/18/30/15/182183015.db2.gz DLKHYICAVSWESY-CQSZACIVSA-N 0 0 315.438 3.834 40 0 DHABRN O=C(CSCc1ccc(F)cc1)NCCCc1ccccc1 ZINC000020045443 182183206 /nfs/dbraw/zinc/18/32/06/182183206.db2.gz VZFVQQIDDFJCII-UHFFFAOYSA-N 0 0 317.429 3.808 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2)c(Cl)c1 ZINC000020109147 182187450 /nfs/dbraw/zinc/18/74/50/182187450.db2.gz JRJUVFVXACXWSK-UHFFFAOYSA-N 0 0 303.745 3.769 40 0 DHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NC1CCCCCC1 ZINC000020110624 182187857 /nfs/dbraw/zinc/18/78/57/182187857.db2.gz YSLVZCBWDXTDDB-KRWDZBQOSA-N 0 0 305.418 3.692 40 0 DHABRN COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 ZINC000020141666 182191400 /nfs/dbraw/zinc/19/14/00/182191400.db2.gz GZVHKANSXHDQMV-UHFFFAOYSA-N 0 0 323.348 3.700 40 0 DHABRN Cc1ccc(NC(=O)c2ccc(Br)cc2)c(N)c1 ZINC000020343302 182209691 /nfs/dbraw/zinc/20/96/91/182209691.db2.gz FZISCHJPERIVDW-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)NCCSC(C)(C)C ZINC000020452955 182218516 /nfs/dbraw/zinc/21/85/16/182218516.db2.gz RWMICPQIHNEXGW-ZDUSSCGKSA-N 0 0 309.475 3.664 40 0 DHABRN COc1ccc(SCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000020450441 182218603 /nfs/dbraw/zinc/21/86/03/182218603.db2.gz QRTFIFKONLVWBX-AWEZNQCLSA-N 0 0 315.438 3.973 40 0 DHABRN CN(C1CCCC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000020490744 182223521 /nfs/dbraw/zinc/22/35/21/182223521.db2.gz NUBXXQIOEJIZDL-UHFFFAOYSA-N 0 0 322.257 3.698 40 0 DHABRN COc1cccc(OC)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000020459385 182220254 /nfs/dbraw/zinc/22/02/54/182220254.db2.gz ODWJGMLBLKIOBR-HNNXBMFYSA-N 0 0 311.381 3.511 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)Nc2cccc(SC)c2)c1 ZINC000020494731 182224292 /nfs/dbraw/zinc/22/42/92/182224292.db2.gz IIRWUGJGXLGOTF-LBPRGKRZSA-N 0 0 317.410 3.823 40 0 DHABRN COC(=O)c1cc(NC(=O)Cc2ccc(C)cc2)ccc1Cl ZINC000020491716 182224325 /nfs/dbraw/zinc/22/43/25/182224325.db2.gz DAOAYOVNPXTEDC-UHFFFAOYSA-N 0 0 317.772 3.616 40 0 DHABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2N)c1 ZINC000020550539 182230330 /nfs/dbraw/zinc/23/03/30/182230330.db2.gz XULNYNIIVBZDDE-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN O=C(NC1CCCCC1)c1cccnc1NC1CCCCC1 ZINC000022072952 182307437 /nfs/dbraw/zinc/30/74/37/182307437.db2.gz VQUDXOBBSFKRLO-UHFFFAOYSA-N 0 0 301.434 3.889 40 0 DHABRN CCc1nc(N)sc1-c1nc(-c2ccccc2Cl)no1 ZINC000022121377 182309400 /nfs/dbraw/zinc/30/94/00/182309400.db2.gz BJQDBDMSUOQGSB-UHFFFAOYSA-N 0 0 306.778 3.658 40 0 DHABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1C ZINC000022250604 182315570 /nfs/dbraw/zinc/31/55/70/182315570.db2.gz OQMCYIWHFSKHNB-UHFFFAOYSA-N 0 0 303.789 3.977 40 0 DHABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)NC(C)(C)C ZINC000022237615 182314396 /nfs/dbraw/zinc/31/43/96/182314396.db2.gz UTPWNTKKPHSRIO-UHFFFAOYSA-N 0 0 303.431 3.748 40 0 DHABRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1 ZINC000022530968 182325771 /nfs/dbraw/zinc/32/57/71/182325771.db2.gz UOQMGLILVITYNC-PPYMECGQSA-N 0 0 323.392 3.923 40 0 DHABRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022540289 182325862 /nfs/dbraw/zinc/32/58/62/182325862.db2.gz QZOMQSUUSRKKOY-INIZCTEOSA-N 0 0 317.454 3.960 40 0 DHABRN CCc1ccc([C@@H](C)NC(=O)COc2ccccc2F)cc1 ZINC000022743683 182332274 /nfs/dbraw/zinc/33/22/74/182332274.db2.gz YRTMMFWIDIKHQY-CYBMUJFWSA-N 0 0 301.361 3.644 40 0 DHABRN Cc1ccccc1CS(=O)(=O)N(C)Cc1ccc(Cl)cc1 ZINC000022523878 182325204 /nfs/dbraw/zinc/32/52/04/182325204.db2.gz FGMCAPNVJQANPD-UHFFFAOYSA-N 0 0 323.845 3.610 40 0 DHABRN CC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2C)c1 ZINC000022905112 182339951 /nfs/dbraw/zinc/33/99/51/182339951.db2.gz VGDPKRJZXKFMHT-UHFFFAOYSA-N 0 0 311.381 3.832 40 0 DHABRN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000023636884 182365131 /nfs/dbraw/zinc/36/51/31/182365131.db2.gz GIFRIDUGWWBZLE-LBPRGKRZSA-N 0 0 317.410 3.823 40 0 DHABRN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cccnc1 ZINC000027921986 182498136 /nfs/dbraw/zinc/49/81/36/182498136.db2.gz CFYZRDFFOCYCPZ-UHFFFAOYSA-N 0 0 320.396 3.504 40 0 DHABRN O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000030872884 182600856 /nfs/dbraw/zinc/60/08/56/182600856.db2.gz DDEKXOWUNIYZHW-UHFFFAOYSA-N 0 0 321.779 3.955 40 0 DHABRN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccccc1C ZINC000032648423 182653640 /nfs/dbraw/zinc/65/36/40/182653640.db2.gz LAKGMWZMEDMFHB-UHFFFAOYSA-N 0 0 308.385 3.629 40 0 DHABRN CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2C)C1=O ZINC000101275657 193809587 /nfs/dbraw/zinc/80/95/87/193809587.db2.gz OFFIDIOTVMTEJP-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN CC(C)Cc1nnc2n1N1C(=CS[C@@H]1c1ccccc1)S2 ZINC000035655284 182783979 /nfs/dbraw/zinc/78/39/79/182783979.db2.gz HXZIHQVDMPYQPV-CQSZACIVSA-N 0 0 316.455 3.765 40 0 DHABRN Fc1cc(Br)ccc1Nc1cc(Cl)ncn1 ZINC000038579858 183002982 /nfs/dbraw/zinc/00/29/82/183002982.db2.gz WQOQYCNEFQOXNA-UHFFFAOYSA-N 0 0 302.534 3.775 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccccn1 ZINC000038580656 183003469 /nfs/dbraw/zinc/00/34/69/183003469.db2.gz JOMTUVGPHZIZHO-CQSZACIVSA-N 0 0 314.389 3.544 40 0 DHABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 ZINC000038754426 183008510 /nfs/dbraw/zinc/00/85/10/183008510.db2.gz PLJZQGZFFYHFCR-MRXNPFEDSA-N 0 0 321.779 3.953 40 0 DHABRN CCOc1ccccc1CNC(=O)c1ccccc1SC ZINC000038772456 183009400 /nfs/dbraw/zinc/00/94/00/183009400.db2.gz LYPYFPOIUPEHSE-UHFFFAOYSA-N 0 0 301.411 3.737 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1 ZINC000038832922 183011237 /nfs/dbraw/zinc/01/12/37/183011237.db2.gz PMDIJWQGZIZPBT-UHFFFAOYSA-N 0 0 319.408 3.512 40 0 DHABRN COc1ccc([C@@H](O)c2cccc(Br)c2)c(OC)c1 ZINC000040248066 183049258 /nfs/dbraw/zinc/04/92/58/183049258.db2.gz BKPQEPUVXRDKJO-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc(F)cc1[C@@H](O)c1ccc(Br)cc1 ZINC000040258218 183049290 /nfs/dbraw/zinc/04/92/90/183049290.db2.gz CWROPZOCKAJURT-AWEZNQCLSA-N 0 0 311.150 3.679 40 0 DHABRN Fc1cccc(-c2nc(-c3ccc(Br)o3)n[nH]2)c1 ZINC000040164179 183043050 /nfs/dbraw/zinc/04/30/50/183043050.db2.gz QJNHZUIPSCRJPV-UHFFFAOYSA-N 0 0 308.110 3.633 40 0 DHABRN CCOc1ccc([C@@H](O)c2cccc(Br)c2)cc1 ZINC000040244583 183049515 /nfs/dbraw/zinc/04/95/15/183049515.db2.gz RLWCDAYMVRGYBZ-OAHLLOKOSA-N 0 0 307.187 3.930 40 0 DHABRN CCOc1ccc([C@H](O)c2ccccc2Br)cc1 ZINC000040244576 183049194 /nfs/dbraw/zinc/04/91/94/183049194.db2.gz PCHHHKDGSFCSBC-HNNXBMFYSA-N 0 0 307.187 3.930 40 0 DHABRN Nn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 ZINC000040924943 183149256 /nfs/dbraw/zinc/14/92/56/183149256.db2.gz HWGZNIJQQIXCSN-UHFFFAOYSA-N 0 0 316.817 3.605 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000040946049 183150035 /nfs/dbraw/zinc/15/00/35/183150035.db2.gz AQXZBYBDMNTXCH-NSHDSACASA-N 0 0 305.761 3.755 40 0 DHABRN CC(C)(C)c1ccc(CNS(=O)(=O)c2cccs2)cc1 ZINC000106376044 194204676 /nfs/dbraw/zinc/20/46/76/194204676.db2.gz MUILKPJZFYRDGZ-UHFFFAOYSA-N 0 0 309.456 3.524 40 0 DHABRN Cc1cccc(CSCC(=O)N2CCc3ccccc3C2)c1 ZINC000050080516 183771859 /nfs/dbraw/zinc/77/18/59/183771859.db2.gz KGGKIUXREKHGSN-UHFFFAOYSA-N 0 0 311.450 3.813 40 0 DHABRN CC(C)(C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000054564380 183944679 /nfs/dbraw/zinc/94/46/79/183944679.db2.gz JWEBFAYUXGHACH-UHFFFAOYSA-N 0 0 306.793 3.842 40 0 DHABRN Fc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)c(Cl)c1 ZINC000057326772 184033288 /nfs/dbraw/zinc/03/32/88/184033288.db2.gz RQEFQOKSQCFORZ-UHFFFAOYSA-N 0 0 314.707 3.868 40 0 DHABRN Cc1ccsc1CN(CCCO)Cc1cccc(F)c1F ZINC000057822655 184055616 /nfs/dbraw/zinc/05/56/16/184055616.db2.gz NXLWUXHSXPFFBG-UHFFFAOYSA-N 0 0 311.397 3.719 40 0 DHABRN CCCC[C@H](CC)CNS(=O)(=O)Cc1ccccc1Cl ZINC000059291786 184136365 /nfs/dbraw/zinc/13/63/65/184136365.db2.gz NHHATRXLYJSCHR-ZDUSSCGKSA-N 0 0 317.882 3.976 40 0 DHABRN COc1ccccc1OCC(=O)N[C@H](C)c1ccc(C)cc1C ZINC000059351589 184137585 /nfs/dbraw/zinc/13/75/85/184137585.db2.gz JWZCNOUDVYZQMB-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN CC(C)(C)c1nnc(CCNc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000062719334 184250567 /nfs/dbraw/zinc/25/05/67/184250567.db2.gz NHGXPIKWRIKNQF-UHFFFAOYSA-N 0 0 312.339 3.776 40 0 DHABRN CC(C)C[C@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000064219341 184292636 /nfs/dbraw/zinc/29/26/36/184292636.db2.gz OFOZAPQDGTYJQK-IBGZPJMESA-N 0 0 309.409 3.716 40 0 DHABRN COCCOc1ccc(NC(=O)C2(C)CCCC2)cc1Cl ZINC000065729964 184377877 /nfs/dbraw/zinc/37/78/77/184377877.db2.gz OUQBVKSNAURQLY-UHFFFAOYSA-N 0 0 311.809 3.884 40 0 DHABRN CCCCOc1ccc(C(=O)Nc2ccc(N)cc2OC)cc1 ZINC000066141363 184392155 /nfs/dbraw/zinc/39/21/55/184392155.db2.gz REYPLZXEGTWAST-UHFFFAOYSA-N 0 0 314.385 3.709 40 0 DHABRN Cn1cnc2cc(C(=O)NCc3cccc4ccccc43)ccc21 ZINC000120819284 195244428 /nfs/dbraw/zinc/24/44/28/195244428.db2.gz PHWMHDNJOWNKCD-UHFFFAOYSA-N 0 0 315.376 3.657 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000015340265 256526140 /nfs/dbraw/zinc/52/61/40/256526140.db2.gz VIEPRQRYCMYQJH-CYBMUJFWSA-N 0 0 303.789 3.732 40 0 DHABRN COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC ZINC000020050362 256527885 /nfs/dbraw/zinc/52/78/85/256527885.db2.gz BVGBGQCLSDXWNO-CQSZACIVSA-N 0 0 313.397 3.812 40 0 DHABRN CCOc1ccccc1Nc1ccc(C(=O)NC(C)C)cc1N ZINC000225431162 256595618 /nfs/dbraw/zinc/59/56/18/256595618.db2.gz IPPASHROWUCATC-UHFFFAOYSA-N 0 0 313.401 3.549 40 0 DHABRN O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215929 257125123 /nfs/dbraw/zinc/12/51/23/257125123.db2.gz HNNPQYQUVFBZLR-GOSISDBHSA-N 0 0 321.424 3.659 40 0 DHABRN O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215989 257125335 /nfs/dbraw/zinc/12/53/35/257125335.db2.gz BERSOEWIDDNYKT-GOSISDBHSA-N 0 0 321.424 3.659 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214412 257125919 /nfs/dbraw/zinc/12/59/19/257125919.db2.gz PGHRXZJZFYRXTR-CQSZACIVSA-N 0 0 319.405 3.502 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212054 257127505 /nfs/dbraw/zinc/12/75/05/257127505.db2.gz CVPWDMYVWYDBEL-SFHVURJKSA-N 0 0 310.397 3.734 40 0 DHABRN CCNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072213110 257127510 /nfs/dbraw/zinc/12/75/10/257127510.db2.gz RJISIDMAISVALM-KRWDZBQOSA-N 0 0 309.413 3.881 40 0 DHABRN CCCNc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213132 257127607 /nfs/dbraw/zinc/12/76/07/257127607.db2.gz IVRSJQYWJOJZDE-CQSZACIVSA-N 0 0 305.422 3.976 40 0 DHABRN CCN(C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072212724 257127633 /nfs/dbraw/zinc/12/76/33/257127633.db2.gz MZDKQSKYOXWNJX-QGZVFWFLSA-N 0 0 309.413 3.515 40 0 DHABRN CCOC(OCC)c1cc2cnccc2n1C(=O)OC(C)(C)C ZINC000072206951 257127790 /nfs/dbraw/zinc/12/77/90/257127790.db2.gz LIYAEAVMSQDRCA-UHFFFAOYSA-N 0 0 320.389 3.891 40 0 DHABRN CCOC(=O)c1cnc2c(C)ccc(F)c2c1N(CC)CC ZINC000064874835 257128375 /nfs/dbraw/zinc/12/83/75/257128375.db2.gz UPBLHPWDLQYBHA-UHFFFAOYSA-N 0 0 304.365 3.705 40 0 DHABRN O=Cc1ccc2cc(Br)cc(C(F)(F)F)c2n1 ZINC000011804104 257136169 /nfs/dbraw/zinc/13/61/69/257136169.db2.gz CRRYIMOYSBYZPJ-UHFFFAOYSA-N 0 0 304.065 3.829 40 0 DHABRN CC(C)=CC[C@H](O)/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000514288199 257216629 /nfs/dbraw/zinc/21/66/29/257216629.db2.gz VQGXQPRJZYLHNO-SHRNQRGKSA-N 0 0 314.381 3.835 40 0 biogenic,in-vitro DHABRN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000170387704 257216912 /nfs/dbraw/zinc/21/69/12/257216912.db2.gz YQKZEGUAPCNVOS-HIFRSBDPSA-N 0 0 316.445 3.618 40 0 DHABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 ZINC000059227246 257217118 /nfs/dbraw/zinc/21/71/18/257217118.db2.gz ICYSNHHPAJYRKV-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3C)CC2=O)c1 ZINC000059227269 257217231 /nfs/dbraw/zinc/21/72/31/257217231.db2.gz PJDSPRHAYNZHKC-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN COc1ccc(CN(C)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000010331611 257218089 /nfs/dbraw/zinc/21/80/89/257218089.db2.gz KKVGXRNXLNHQDC-UHFFFAOYSA-N 0 0 303.789 3.550 40 0 DHABRN O=S(=O)(Cc1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000009694941 257218216 /nfs/dbraw/zinc/21/82/16/257218216.db2.gz QSCHEJWISZGETE-UHFFFAOYSA-N 0 0 313.850 3.650 40 0 DHABRN CCCn1nnnc1NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000007263431 257218702 /nfs/dbraw/zinc/21/87/02/257218702.db2.gz IQBHENNJGTVBRJ-UHFFFAOYSA-N 0 0 317.780 3.609 40 0 DHABRN CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000006649336 257218704 /nfs/dbraw/zinc/21/87/04/257218704.db2.gz QOKNPCSXLOVEIO-BUHFOSPRSA-N 0 0 322.408 3.868 40 0 DHABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1 ZINC000003514989 257219131 /nfs/dbraw/zinc/21/91/31/257219131.db2.gz DIBJGQMFFKLELZ-AWEZNQCLSA-N 0 0 317.816 3.856 40 0 DHABRN CC(C)Cn1cc(C=C2SC(=O)NC2=O)c2ccccc21 ZINC000409130708 257221767 /nfs/dbraw/zinc/22/17/67/257221767.db2.gz XNUMGZIOADLCPI-AUWJEWJLSA-N 0 0 300.383 3.621 40 0 DHABRN CCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc21 ZINC000409114166 257222588 /nfs/dbraw/zinc/22/25/88/257222588.db2.gz CTSZTAUXARVMAB-PTNGSMBKSA-N 0 0 309.365 3.698 40 0 DHABRN Cc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)s1 ZINC000409084857 257223430 /nfs/dbraw/zinc/22/34/30/257223430.db2.gz YBOZKDGOKANDKD-UVTDQMKNSA-N 0 0 320.483 3.789 40 0 DHABRN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3ncnn32)cc1 ZINC000409061116 257223716 /nfs/dbraw/zinc/22/37/16/257223716.db2.gz VMHHDWPZZQJSJW-UHFFFAOYSA-N 0 0 316.364 3.775 40 0 DHABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(C(C)C)C1=O ZINC000409021715 257224147 /nfs/dbraw/zinc/22/41/47/257224147.db2.gz UUPALBBFIFJSTK-RIYZIHGNSA-N 0 0 300.383 3.921 40 0 DHABRN CCC1=N/C(=C\c2c(C)nn(-c3ccc(C)c(C)c3)c2C)C(=O)O1 ZINC000408998933 257224989 /nfs/dbraw/zinc/22/49/89/257224989.db2.gz JLMRONKOSQFAHH-YVLHZVERSA-N 0 0 323.396 3.812 40 0 DHABRN CCCCCCOc1ccccc1/C=C1\SC(=N)NC1=O ZINC000408891308 257226047 /nfs/dbraw/zinc/22/60/47/257226047.db2.gz OITYJOFAKRLLDO-KAMYIIQDSA-N 0 0 304.415 3.784 40 0 DHABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3)S2)cc1 ZINC000408775112 257226903 /nfs/dbraw/zinc/22/69/03/257226903.db2.gz ODFJBWGYLQRJBL-XOQYZJNISA-N 0 0 310.422 3.849 40 0 DHABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3C)o2)cc1 ZINC000408713897 257227983 /nfs/dbraw/zinc/22/79/83/257227983.db2.gz CESIIBUHTLSLOI-UHFFFAOYSA-N 0 0 321.380 3.626 40 0 DHABRN O=C(Sc1nnc(-c2ccncc2)o1)c1ccccc1Cl ZINC000408599653 257229051 /nfs/dbraw/zinc/22/90/51/257229051.db2.gz YEJJLRNIBGWSEL-UHFFFAOYSA-N 0 0 317.757 3.718 40 0 DHABRN CSc1cccc(NC(=S)NC(=O)c2ccccc2F)c1 ZINC000408595034 257229079 /nfs/dbraw/zinc/22/90/79/257229079.db2.gz KANZRPWPCQSXJQ-UHFFFAOYSA-N 0 0 320.414 3.674 40 0 DHABRN Cc1ccc(-c2ccc(OC(=O)c3cccc(C)c3)nn2)cc1 ZINC000408531551 257230311 /nfs/dbraw/zinc/23/03/11/257230311.db2.gz URQVFLSITNQSCQ-UHFFFAOYSA-N 0 0 304.349 3.980 40 0 DHABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCc2ccccc21 ZINC000224328606 257233029 /nfs/dbraw/zinc/23/30/29/257233029.db2.gz WBMJPMMWEWLFKJ-OAHLLOKOSA-N 0 0 321.420 3.922 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000228910352 257214700 /nfs/dbraw/zinc/21/47/00/257214700.db2.gz NNNOXHUFBNFOQD-ZDUSSCGKSA-N 0 0 323.820 3.709 40 0 DHABRN CCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC ZINC000015257088 257215334 /nfs/dbraw/zinc/21/53/34/257215334.db2.gz FBIPGCRLBUAKTF-INIZCTEOSA-N 0 0 308.418 3.888 40 0 biogenic,in-vitro DHABRN O=C1c2ccccc2N(Cc2cccc(F)c2)C2=NCCC[C@H]12 ZINC000001575109 134445912 /nfs/dbraw/zinc/44/59/12/134445912.db2.gz KYHDTNXRRGWGOZ-MRXNPFEDSA-N 0 0 308.356 3.837 40 0 DHABRN COc1ccc(CC(=O)Nc2ccccc2SC)cc1C ZINC000013972070 331546286 /nfs/dbraw/zinc/54/62/86/331546286.db2.gz STGIBANXBBIUIG-UHFFFAOYSA-N 0 0 301.411 3.907 40 0 DHABRN COc1cccc(NC(=O)N[C@@H](C)COc2ccccc2C)c1 ZINC000056516276 331783361 /nfs/dbraw/zinc/78/33/61/331783361.db2.gz MQAFVYWPHMNUTA-AWEZNQCLSA-N 0 0 314.385 3.593 40 0 DHABRN O=C(CSCc1cccc(Cl)c1)NCCc1ccccc1 ZINC000255935827 331823286 /nfs/dbraw/zinc/82/32/86/331823286.db2.gz YULLUYQEFKZNRW-UHFFFAOYSA-N 0 0 319.857 3.932 40 0 DHABRN O=c1oc(CCc2ccco2)nc2sc3c(c21)CCCC3 ZINC000096305943 332178541 /nfs/dbraw/zinc/17/85/41/332178541.db2.gz JZDRJILVRMSZPO-UHFFFAOYSA-N 0 0 301.367 3.507 40 0 DHABRN Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000042646574 332247806 /nfs/dbraw/zinc/24/78/06/332247806.db2.gz PLQRESDBIVDGRE-UHFFFAOYSA-N 0 0 324.424 3.547 40 0 DHABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)C(C)(C)C)c1 ZINC000009064121 333019289 /nfs/dbraw/zinc/01/92/89/333019289.db2.gz HQOOHDRSOYPUDG-SNVBAGLBSA-N 0 0 308.447 3.765 40 0 DHABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)C(C)(C)C)c1 ZINC000009064122 333019389 /nfs/dbraw/zinc/01/93/89/333019389.db2.gz HQOOHDRSOYPUDG-JTQLQIEISA-N 0 0 308.447 3.765 40 0 DHABRN CC(C)C(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000014257859 333151083 /nfs/dbraw/zinc/15/10/83/333151083.db2.gz GALBYVAOKZQAHA-CYBMUJFWSA-N 0 0 319.474 3.534 40 0 DHABRN CCCCCC(=O)NC(=S)Nc1ccccc1OC(F)F ZINC000014257741 333151145 /nfs/dbraw/zinc/15/11/45/333151145.db2.gz RFDJHRBVVXPLFK-UHFFFAOYSA-N 0 0 316.373 3.681 40 0 DHABRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(F)(F)F ZINC000057316733 333396704 /nfs/dbraw/zinc/39/67/04/333396704.db2.gz OAVZULYYAKNXIK-UHFFFAOYSA-N 0 0 321.258 3.699 40 0 DHABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(CC)c2C)C1=O ZINC000409019302 333399103 /nfs/dbraw/zinc/39/91/03/333399103.db2.gz IOHBWFRSOUTCSL-RSYJBZMQSA-N 0 0 306.431 3.960 40 0 DHABRN Cc1cccc(-c2nc(CO[C@@H]3CCCC[C@@H]3C)no2)c1O ZINC000333111034 336198107 /nfs/dbraw/zinc/19/81/07/336198107.db2.gz XOOQNRKCQDLWGW-SMDDNHRTSA-N 0 0 302.374 3.846 40 0 DHABRN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000247354934 341363931 /nfs/dbraw/zinc/36/39/31/341363931.db2.gz XJDMALUZDHQWRU-OLZOCXBDSA-N 0 0 313.850 3.541 40 0 DHABRN c1csc(CN2CCn3c(-c4ccsc4)cnc3C2)c1 ZINC000306143695 534520883 /nfs/dbraw/zinc/52/08/83/534520883.db2.gz YJKLFMWOLUCYFH-UHFFFAOYSA-N 0 0 301.440 3.689 40 0 DHABRN Cc1ccc(CC(=O)NCCc2ccc(Cl)cc2)c(C)c1 ZINC000225095006 563748622 /nfs/dbraw/zinc/74/86/22/563748622.db2.gz BDPACPHHISKMBK-UHFFFAOYSA-N 0 0 301.817 3.858 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCCSC2CCCC2)cc1C ZINC000225813626 563764048 /nfs/dbraw/zinc/76/40/48/563764048.db2.gz LPZOAETVOBXFTO-OAHLLOKOSA-N 0 0 321.486 3.863 40 0 DHABRN Cc1cc(C(F)(F)F)c2c(n[nH]c2NCc2cccs2)n1 ZINC000012115906 563361599 /nfs/dbraw/zinc/36/15/99/563361599.db2.gz IWOPIWZKSHPXHG-UHFFFAOYSA-N 0 0 312.320 3.959 40 0 DHABRN Cc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000030873237 563439498 /nfs/dbraw/zinc/43/94/98/563439498.db2.gz YOAURDVPKIGHRZ-UHFFFAOYSA-N 0 0 301.817 3.940 40 0 DHABRN Cc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1 ZINC000000307670 563239133 /nfs/dbraw/zinc/23/91/33/563239133.db2.gz CPGOAQIHAMEFBY-KRWDZBQOSA-N 0 0 324.380 3.597 40 0 DHABRN Cc1cc2ccccc2nc1SCC(=O)N1CCC[C@H](C)C1 ZINC000000416347 563252752 /nfs/dbraw/zinc/25/27/52/563252752.db2.gz ZUFWDBUIYRFILK-ZDUSSCGKSA-N 0 0 314.454 3.894 40 0 DHABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000000563054 563266501 /nfs/dbraw/zinc/26/65/01/563266501.db2.gz PPXMHTWGFXWJNR-UHFFFAOYSA-N 0 0 315.316 3.815 40 0 DHABRN O=C(Nc1nc2ccc(F)cc2s1)C(Cl)(Cl)Cl ZINC000000558175 563266507 /nfs/dbraw/zinc/26/65/07/563266507.db2.gz QBGRZOHDLOCFDL-UHFFFAOYSA-N 0 0 313.568 3.744 40 0 DHABRN Cc1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1C ZINC000000569758 563267119 /nfs/dbraw/zinc/26/71/19/563267119.db2.gz CABAEFUJGIUCPU-UHFFFAOYSA-N 0 0 324.424 3.921 40 0 DHABRN CC[C@H](C)C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000001364328 563281422 /nfs/dbraw/zinc/28/14/22/563281422.db2.gz WFTCEDRIOGXYRD-RYUDHWBXSA-N 0 0 319.430 3.550 40 0 DHABRN C[C@H](C(=O)c1ccc(Cl)cc1)[C@H]1OC(=O)C(Cl)=C1Cl ZINC000001622422 563287879 /nfs/dbraw/zinc/28/78/79/563287879.db2.gz BAHJXRKPPQZQDT-SREIQFSDSA-N 0 0 319.571 3.773 40 0 DHABRN C[NH+](C)CCN(Cc1ccccc1)c1ccc2ccccc2n1 ZINC000001670038 563289779 /nfs/dbraw/zinc/28/97/79/563289779.db2.gz UOIUDOKHROSYCW-UHFFFAOYSA-N 0 0 305.425 3.803 40 0 DHABRN O=S(=O)(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000001670896 563290772 /nfs/dbraw/zinc/29/07/72/563290772.db2.gz ZOYIQOXVNKROHS-UHFFFAOYSA-N 0 0 317.193 3.902 40 0 DHABRN C[C@@H]1CN(C2CCCCC2)C(=S)N(c2ccccc2)C1=O ZINC000001681197 563290931 /nfs/dbraw/zinc/29/09/31/563290931.db2.gz MLIFUZZNOTYGEZ-CYBMUJFWSA-N 0 0 302.443 3.589 40 0 DHABRN COc1cccc(COC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1OC ZINC000001711321 563292533 /nfs/dbraw/zinc/29/25/33/563292533.db2.gz RENOGJSUOODSNX-GDBMZVCRSA-N 0 0 318.413 3.985 40 0 DHABRN S=C(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000002764945 563312856 /nfs/dbraw/zinc/31/28/56/563312856.db2.gz JIIRUBGSUFFMQL-UHFFFAOYSA-N 0 0 316.857 3.838 40 0 DHABRN Clc1ccc2c(c1)N(C1=NCCN1)c1ccccc1S2 ZINC000005338557 563329541 /nfs/dbraw/zinc/32/95/41/563329541.db2.gz QHVPSCNYUKIPDS-UHFFFAOYSA-N 0 0 301.802 3.902 40 0 DHABRN CCn1c(SCC(=O)c2ccc(C)cc2)nc2cccnc21 ZINC000035289502 563331289 /nfs/dbraw/zinc/33/12/89/563331289.db2.gz BXODKTXTZHJFAN-UHFFFAOYSA-N 0 0 311.410 3.735 40 0 DHABRN Cc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 ZINC000035312209 563331914 /nfs/dbraw/zinc/33/19/14/563331914.db2.gz NTCNEIRCJIHDIA-UHFFFAOYSA-N 0 0 307.382 3.502 40 0 DHABRN O=C(NC/C=C/Br)Nc1cccc2c1CCCC2 ZINC000006513257 563332363 /nfs/dbraw/zinc/33/23/63/563332363.db2.gz JFWMDNPYPQJQSO-RUDMXATFSA-N 0 0 309.207 3.596 40 0 DHABRN [O-][n+]1c2c(n(O)c1-c1ccc(F)cc1)-c1cccc3cccc-2c13 ZINC000006926796 563335433 /nfs/dbraw/zinc/33/54/33/563335433.db2.gz AKPRSEPSIHUKND-UHFFFAOYSA-N 0 0 318.307 3.966 40 0 DHABRN Cc1ccc(NC(=S)NCCOc2ccc(C)cc2)cc1 ZINC000007582718 563339504 /nfs/dbraw/zinc/33/95/04/563339504.db2.gz KYACKMRMBWGBPN-UHFFFAOYSA-N 0 0 300.427 3.669 40 0 DHABRN Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)c(C)c1 ZINC000007759938 563341852 /nfs/dbraw/zinc/34/18/52/563341852.db2.gz WGDAURPLVJGTAD-UHFFFAOYSA-N 0 0 321.380 3.626 40 0 DHABRN Cc1ccc(C)c(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000007967116 563343272 /nfs/dbraw/zinc/34/32/72/563343272.db2.gz IMRUFOYRHJLRPV-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN CC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008556161 563348131 /nfs/dbraw/zinc/34/81/31/563348131.db2.gz ULOBCMYGARHHPB-UHFFFAOYSA-N 0 0 302.418 3.734 40 0 DHABRN CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C1 ZINC000008628554 563348560 /nfs/dbraw/zinc/34/85/60/563348560.db2.gz RIBZRKBTHDVGFL-QGZVFWFLSA-N 0 0 314.410 3.507 40 0 DHABRN Cc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000010156803 563355068 /nfs/dbraw/zinc/35/50/68/563355068.db2.gz HEJLAHKUISOHNT-LBPRGKRZSA-N 0 0 310.328 3.826 40 0 DHABRN Cc1ccc(-n2nc3[nH]ccc(-c4ccccc4C)c-3c2=O)cc1 ZINC000010157154 563355516 /nfs/dbraw/zinc/35/55/16/563355516.db2.gz VJVAUKWZPXKMAT-UHFFFAOYSA-N 0 0 315.376 3.998 40 0 DHABRN CCc1ccc(CCC(=O)NCCSCc2ccco2)cc1 ZINC000010336253 563356140 /nfs/dbraw/zinc/35/61/40/563356140.db2.gz GRZIOTOASKQZLS-UHFFFAOYSA-N 0 0 317.454 3.824 40 0 DHABRN CC(=O)N1c2ccc(-c3cn4cc(C)ccc4n3)cc2C[C@H]1C ZINC000012088207 563361594 /nfs/dbraw/zinc/36/15/94/563361594.db2.gz OIBUCPMHYIRHPO-CYBMUJFWSA-N 0 0 305.381 3.607 40 0 DHABRN COc1cc(CN2CCCCC[C@H]2c2cc(C)on2)ccc1O ZINC000012185834 563363876 /nfs/dbraw/zinc/36/38/76/563363876.db2.gz QDUXXJVTMPQMQB-INIZCTEOSA-N 0 0 316.401 3.815 40 0 DHABRN O=C(c1ccncc1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012180960 563364107 /nfs/dbraw/zinc/36/41/07/563364107.db2.gz FKVCXWYWHMFSDY-ZNXRZULTSA-N 0 0 310.372 3.772 40 0 DHABRN CC[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccc(F)cc1 ZINC000012199952 563364666 /nfs/dbraw/zinc/36/46/66/563364666.db2.gz LXPQQGROJQVJLX-HNNXBMFYSA-N 0 0 315.392 3.794 40 0 DHABRN Cc1c2cccc(C)c2oc1C(=O)NCCC[C@@H]1CCOC1 ZINC000012204109 563364896 /nfs/dbraw/zinc/36/48/96/563364896.db2.gz JPXPHLNFDXSATF-CQSZACIVSA-N 0 0 301.386 3.596 40 0 DHABRN COc1cc2c(cc1CN1CCc3sccc3[C@@H]1C)OCO2 ZINC000012241067 563365717 /nfs/dbraw/zinc/36/57/17/563365717.db2.gz RRHJUWYMVSPWTP-NSHDSACASA-N 0 0 317.410 3.605 40 0 DHABRN CC(=O)c1ccc(NC(=S)NCc2cccc(F)c2)cc1 ZINC000013577422 563383262 /nfs/dbraw/zinc/38/32/62/563383262.db2.gz FVTLZUCYEVCXFJ-UHFFFAOYSA-N 0 0 302.374 3.515 40 0 DHABRN CCOc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000013674627 563385310 /nfs/dbraw/zinc/38/53/10/563385310.db2.gz YEIFXXKCFOZZDN-AWEZNQCLSA-N 0 0 315.438 3.882 40 0 DHABRN Cc1cccc(CCCNC(=O)Cc2ccc(Cl)cc2)c1 ZINC000013675783 563385572 /nfs/dbraw/zinc/38/55/72/563385572.db2.gz MAXMEQRXHNAHAN-UHFFFAOYSA-N 0 0 301.817 3.940 40 0 DHABRN O=S(=O)(Cc1ccc(F)cc1)NCCC1CCCCCC1 ZINC000013672053 563385846 /nfs/dbraw/zinc/38/58/46/563385846.db2.gz NZZIJIXMMRDCBK-UHFFFAOYSA-N 0 0 313.438 3.606 40 0 DHABRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccccc2)c1 ZINC000013795884 563389562 /nfs/dbraw/zinc/38/95/62/563389562.db2.gz UYGJZWQVHWTADB-LBPRGKRZSA-N 0 0 314.410 3.521 40 0 DHABRN CCc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2)cc1 ZINC000014738046 563402713 /nfs/dbraw/zinc/40/27/13/563402713.db2.gz ZRFZLDFJKQTMJF-CYBMUJFWSA-N 0 0 301.361 3.644 40 0 DHABRN CC1CCN(c2nc(-c3ccncc3)cc3ncccc32)CC1 ZINC000019496973 563415242 /nfs/dbraw/zinc/41/52/42/563415242.db2.gz VMYCYYCCYQAHFV-UHFFFAOYSA-N 0 0 304.397 3.928 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C ZINC000020450782 563416565 /nfs/dbraw/zinc/41/65/65/563416565.db2.gz MORYWFDUJNHTQK-KRWDZBQOSA-N 0 0 301.361 3.608 40 0 DHABRN C[C@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 ZINC000026754564 563426731 /nfs/dbraw/zinc/42/67/31/563426731.db2.gz DZTOLFTWRJJYKS-KGLIPLIRSA-N 0 0 301.361 3.513 40 0 DHABRN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@@H](C)O)c1 ZINC000027792427 563430025 /nfs/dbraw/zinc/43/00/25/563430025.db2.gz FLWWKKHGFWAINF-OAHLLOKOSA-N 0 0 310.397 3.785 40 0 DHABRN CCCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000029514220 563434182 /nfs/dbraw/zinc/43/41/82/563434182.db2.gz XOGXCLZWZJLIDC-UHFFFAOYSA-N 0 0 306.793 3.844 40 0 DHABRN O=C(CCc1ccccc1Cl)Nc1ccc2c(c1)OCO2 ZINC000029688091 563435417 /nfs/dbraw/zinc/43/54/17/563435417.db2.gz WVKYWYBEPKDPEX-UHFFFAOYSA-N 0 0 303.745 3.640 40 0 DHABRN Cc1ccc([C@H](NC(=O)c2cccnc2)c2ccccc2)cc1 ZINC000029882938 563436101 /nfs/dbraw/zinc/43/61/01/563436101.db2.gz PLXBNQUMHVCNFQ-LJQANCHMSA-N 0 0 302.377 3.909 40 0 DHABRN CC[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030754503 563438372 /nfs/dbraw/zinc/43/83/72/563438372.db2.gz ZXEVWDMBXFAXCP-OAHLLOKOSA-N 0 0 308.425 3.778 40 0 DHABRN CO[C@](Nc1ccccn1)(C(=O)c1ccccc1)c1ccccc1 ZINC000031772279 563440520 /nfs/dbraw/zinc/44/05/20/563440520.db2.gz IAQPNUKRXSJVPX-FQEVSTJZSA-N 0 0 318.376 3.876 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1C ZINC000032476013 563442531 /nfs/dbraw/zinc/44/25/31/563442531.db2.gz QWLKKBJSXUKKDY-WBVHZDCISA-N 0 0 311.425 3.991 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000044848773 563462976 /nfs/dbraw/zinc/46/29/76/563462976.db2.gz LOYOFANNNWETAC-SCLBCKFNSA-N 0 0 313.372 3.961 40 0 DHABRN COc1ccc(SCC(=O)Nc2cccc(C)c2)cc1OC ZINC000044844326 563463138 /nfs/dbraw/zinc/46/31/38/563463138.db2.gz ZPRLFIZCWZGGCN-UHFFFAOYSA-N 0 0 317.410 3.743 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000044904256 563463776 /nfs/dbraw/zinc/46/37/76/563463776.db2.gz PCVKKLSLTIOXHY-HNNXBMFYSA-N 0 0 309.409 3.996 40 0 DHABRN Cc1ccc(CN(C)C(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000044940676 563464347 /nfs/dbraw/zinc/46/43/47/563464347.db2.gz WZVNMWMUOOLADU-UHFFFAOYSA-N 0 0 319.408 3.512 40 0 DHABRN CCOc1ccc(S(=O)(=O)N(CC)c2ccccc2C)cc1 ZINC000047214262 563465276 /nfs/dbraw/zinc/46/52/76/563465276.db2.gz KOQMQVHOXWMQHN-UHFFFAOYSA-N 0 0 319.426 3.609 40 0 DHABRN CCOc1ccc(NC(=S)NCc2cccc(F)c2)cc1 ZINC000046415914 563465384 /nfs/dbraw/zinc/46/53/84/563465384.db2.gz JGZGYAILUVFBAJ-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000048655927 563466945 /nfs/dbraw/zinc/46/69/45/563466945.db2.gz KMFWEKJCGDJKFT-UHFFFAOYSA-N 0 0 309.818 3.782 40 0 DHABRN O=Cc1cn(C(=O)COc2ccc(Cl)cc2)c2ccccc12 ZINC000049928140 563468364 /nfs/dbraw/zinc/46/83/64/563468364.db2.gz HWEDPRAMZBXKPR-UHFFFAOYSA-N 0 0 313.740 3.826 40 0 DHABRN CCCC[C@H](CC)CNC(=O)CCc1ccc2c(c1)OCO2 ZINC000053674980 563469830 /nfs/dbraw/zinc/46/98/30/563469830.db2.gz JMHAIRZSORCOCJ-AWEZNQCLSA-N 0 0 305.418 3.681 40 0 DHABRN CSc1ccccc1C(=O)NCc1ccccc1-n1ccnc1 ZINC000055695923 563477336 /nfs/dbraw/zinc/47/73/36/563477336.db2.gz XZUMESZFRZNYJT-UHFFFAOYSA-N 0 0 323.421 3.524 40 0 DHABRN Nc1ccc2c(/C=C/c3ccccn3)nn([C@H]3CCCCO3)c2c1 ZINC000069593873 563497252 /nfs/dbraw/zinc/49/72/52/563497252.db2.gz NSPUYMWXWXSVAJ-LHUXKHBRSA-N 0 0 320.396 3.883 40 0 DHABRN Brc1ncnc(-c2ccccc2)c1Br ZINC000071256302 563498249 /nfs/dbraw/zinc/49/82/49/563498249.db2.gz IZHMMAQCCJUCPL-UHFFFAOYSA-N 0 0 313.980 3.669 40 0 DHABRN COc1ccc(Br)c2sc(Br)nc21 ZINC000095950044 563531288 /nfs/dbraw/zinc/53/12/88/563531288.db2.gz OPZMIAAAAYCZJC-UHFFFAOYSA-N 0 0 323.009 3.830 40 0 DHABRN CC[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096073335 563532043 /nfs/dbraw/zinc/53/20/43/563532043.db2.gz MAEKYJWTIMGVQV-MGPUTAFESA-N 0 0 324.424 3.656 40 0 DHABRN Cc1nc([C@H]2C[C@@H]3CCN(Cc4ccoc4)C[C@H]3O2)sc1C ZINC000096046102 563532670 /nfs/dbraw/zinc/53/26/70/563532670.db2.gz KRWNDGNDVJNABQ-ARFHVFGLSA-N 0 0 318.442 3.705 40 0 DHABRN CN(c1ccc2ccc(C(=O)N3CCCC3)cn21)c1ccccc1 ZINC000096264119 563536437 /nfs/dbraw/zinc/53/64/37/563536437.db2.gz LYYJHABSWDWUKE-UHFFFAOYSA-N 0 0 319.408 3.943 40 0 DHABRN Cc1nc2ncc(-c3ccccc3)c-2c(N)n1-c1ccc(F)cc1 ZINC000104228151 563563288 /nfs/dbraw/zinc/56/32/88/563563288.db2.gz VJMJNCBHRLGWEC-UHFFFAOYSA-N 0 0 318.355 3.948 40 0 DHABRN CO[C@@H](C)c1scc(Br)c1Br ZINC000085390807 563568918 /nfs/dbraw/zinc/56/89/18/563568918.db2.gz XEHCAAVEVFKSRL-BYPYZUCNSA-N 0 0 300.015 3.981 40 0 DHABRN CC1CC(COc2ccccc2I)C1 ZINC000085390801 563569120 /nfs/dbraw/zinc/56/91/20/563569120.db2.gz RYQSWNHYARXAMH-UHFFFAOYSA-N 0 0 302.155 3.716 40 0 DHABRN O=C(Nc1nccs1)/C(Br)=C/c1ccccc1 ZINC000000113687 563570955 /nfs/dbraw/zinc/57/09/55/563570955.db2.gz FXWWNVRXIZWCGJ-NTMALXAHSA-N 0 0 309.188 3.518 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1 ZINC000113969347 563586180 /nfs/dbraw/zinc/58/61/80/563586180.db2.gz IMAPULHZVVJOII-GFCCVEGCSA-N 0 0 319.788 3.605 40 0 DHABRN COC(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1Cl ZINC000006440976 563592822 /nfs/dbraw/zinc/59/28/22/563592822.db2.gz KQAZKGVEDUUAKF-JXMROGBWSA-N 0 0 315.756 3.779 40 0 DHABRN COC1=CCC2=C(CC[C@H]3[C@@H]4C[C@@](C)(O)[C@@H](O)[C@@]4(C)CC[C@H]23)C1 ZINC000118930683 563594051 /nfs/dbraw/zinc/59/40/51/563594051.db2.gz JDNSLVADAHWSEE-XVMXLUHGSA-N 0 0 318.457 3.565 40 0 DHABRN COC1=CCC2=C(CC[C@H]3[C@@H]4C[C@](C)(O)[C@@H](O)[C@@]4(C)CC[C@H]23)C1 ZINC000118930684 563594152 /nfs/dbraw/zinc/59/41/52/563594152.db2.gz JDNSLVADAHWSEE-MILMJNAHSA-N 0 0 318.457 3.565 40 0 DHABRN CC[C@@H](C)NC(=O)c1sc2nc3ccc(C)cc3cc2c1N ZINC000000412191 563608153 /nfs/dbraw/zinc/60/81/53/563608153.db2.gz HEAGNMPPPAYCQN-SNVBAGLBSA-N 0 0 313.426 3.868 40 0 DHABRN CCc1cc2ccccc2nc1SCC(=O)N1CCCC1 ZINC000000413287 563608751 /nfs/dbraw/zinc/60/87/51/563608751.db2.gz RHCKVNMCHPHDBN-UHFFFAOYSA-N 0 0 300.427 3.512 40 0 DHABRN CCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 ZINC000000417773 563608865 /nfs/dbraw/zinc/60/88/65/563608865.db2.gz RZWZQIJPTUXFNV-CQSZACIVSA-N 0 0 316.426 3.732 40 0 DHABRN CCc1nnc(NC(=O)c2csc3c2CC[C@H](CC)C3)s1 ZINC000000538882 563609713 /nfs/dbraw/zinc/60/97/13/563609713.db2.gz CNDHSXLKDLKUSD-VIFPVBQESA-N 0 0 321.471 3.929 40 0 DHABRN O=C1C[C@@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000509308 563618463 /nfs/dbraw/zinc/61/84/63/563618463.db2.gz OMEDDFSSTSLOIY-KCWFYHRYSA-N 0 0 322.191 3.839 40 0 DHABRN CN(C)c1nc2ccccc2n2c(-c3ccc(Cl)cc3)nnc12 ZINC000000970444 563618737 /nfs/dbraw/zinc/61/87/37/563618737.db2.gz INXGMHBKXQCNRK-UHFFFAOYSA-N 0 0 323.787 3.664 40 0 DHABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCC1=CCCCC1 ZINC000008477821 563619496 /nfs/dbraw/zinc/61/94/96/563619496.db2.gz ZGFAEEKGGIGNAY-MRXNPFEDSA-N 0 0 317.429 3.859 40 0 DHABRN CCN(C(=O)CC(C)C)c1nnc(-c2ccccc2C)s1 ZINC000001345262 563620204 /nfs/dbraw/zinc/62/02/04/563620204.db2.gz ODOSGFLFMWVRKZ-UHFFFAOYSA-N 0 0 303.431 3.913 40 0 DHABRN CCCN(C(=O)C(C)C)c1nnc(-c2ccccc2C)s1 ZINC000001345283 563620340 /nfs/dbraw/zinc/62/03/40/563620340.db2.gz YJBDEJJGJGXVCK-UHFFFAOYSA-N 0 0 303.431 3.913 40 0 DHABRN Cc1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)[C@H](C)O2 ZINC000001328423 563620434 /nfs/dbraw/zinc/62/04/34/563620434.db2.gz MHCINTVGUOCUBG-LBPRGKRZSA-N 0 0 301.773 3.963 40 0 DHABRN CCN(C(=O)C1CCC1)c1nnc(-c2ccccc2C)s1 ZINC000001345272 563620484 /nfs/dbraw/zinc/62/04/84/563620484.db2.gz JCMBQXXJYPLZSB-UHFFFAOYSA-N 0 0 301.415 3.667 40 0 DHABRN Cc1cccc(Cn2c(C(=O)OC(C)C)cc3c2ccn3C)c1 ZINC000001355144 563620924 /nfs/dbraw/zinc/62/09/24/563620924.db2.gz BWRTZIXTWJJVGK-UHFFFAOYSA-N 0 0 310.397 3.902 40 0 DHABRN COc1ccc(N[C@@H]2OC(=O)c3ccccc32)c2ncccc12 ZINC000002342868 563621612 /nfs/dbraw/zinc/62/16/12/563621612.db2.gz DRZKGKBMHXVUTL-QGZVFWFLSA-N 0 0 306.321 3.525 40 0 DHABRN CCc1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)on1 ZINC000409412818 563628046 /nfs/dbraw/zinc/62/80/46/563628046.db2.gz MHSGUBMFDOXCLV-CIRFHOKZSA-N 0 0 310.397 3.549 40 0 DHABRN CC1=NN(C(=S)c2ccc(C)cc2)[C@](C)(O)[C@H]1CC(C)C ZINC000000133923 563628241 /nfs/dbraw/zinc/62/82/41/563628241.db2.gz MXJQIHAUIOISPO-DOTOQJQBSA-N 0 0 304.459 3.733 40 0 DHABRN CCc1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccccc2)on1 ZINC000409412819 563628326 /nfs/dbraw/zinc/62/83/26/563628326.db2.gz MHSGUBMFDOXCLV-JOCBIADPSA-N 0 0 310.397 3.549 40 0 DHABRN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(Cl)cc1 ZINC000000288016 563629113 /nfs/dbraw/zinc/62/91/13/563629113.db2.gz JVAOJKDNOFJAQN-NTEUORMPSA-N 0 0 301.704 3.824 40 0 DHABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000007654356 563641024 /nfs/dbraw/zinc/64/10/24/563641024.db2.gz IHGNKVFMGJPOMJ-UHFFFAOYSA-N 0 0 305.761 4.000 40 0 DHABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)cc2)CC1=O ZINC000007881952 563641169 /nfs/dbraw/zinc/64/11/69/563641169.db2.gz RHVKUHWNXLCWBM-INIZCTEOSA-N 0 0 322.408 3.549 40 0 DHABRN 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O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000003398786 563855407 /nfs/dbraw/zinc/85/54/07/563855407.db2.gz MZCZZAXNPYKIDB-UHFFFAOYSA-N 0 0 324.163 3.789 40 0 DHABRN C[C@H](NCc1ccccc1)c1nc([C@H]2CCCSCC2)no1 ZINC000575414975 563856475 /nfs/dbraw/zinc/85/64/75/563856475.db2.gz DCWNRCLMDRMAOA-ZFWWWQNUSA-N 0 0 317.458 3.921 40 0 DHABRN Nc1nnc(-c2cccc(-c3nc4cc(Cl)ccc4o3)c2)o1 ZINC000216837875 563856488 /nfs/dbraw/zinc/85/64/88/563856488.db2.gz BTZUULFBEJGIRI-UHFFFAOYSA-N 0 0 312.716 3.780 40 0 DHABRN Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CCC[C@@H](C)C1 ZINC000216864850 563856985 /nfs/dbraw/zinc/85/69/85/563856985.db2.gz GJTZWPDMGLNXPE-GFCCVEGCSA-N 0 0 303.450 3.798 40 0 DHABRN CC(C)(C)OC(=O)N1C[C@H](c2cccc(Cl)c2)CCC1=O ZINC000575436643 563857705 /nfs/dbraw/zinc/85/77/05/563857705.db2.gz MYUQIWAXSPYUGN-GFCCVEGCSA-N 0 0 309.793 3.981 40 0 DHABRN Cc1coc(C)c1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000670801956 563877676 /nfs/dbraw/zinc/87/76/76/563877676.db2.gz XZCDMHIJNNGZPY-AEFFLSMTSA-N 0 0 313.397 3.855 40 0 DHABRN COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1O ZINC000001117302 563887411 /nfs/dbraw/zinc/88/74/11/563887411.db2.gz KTOAGBIQQPGNIR-WBHUJUFNSA-N 0 0 304.386 3.772 40 0 DHABRN Cc1cccc(C(=O)Nc2ccc(N)cc2Br)c1 ZINC000036738559 563887967 /nfs/dbraw/zinc/88/79/67/563887967.db2.gz ZWZQSTUVJXJNIH-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN Cc1cc(N)cc(C)c1NC(=O)c1ccccc1Br ZINC000045888782 563888504 /nfs/dbraw/zinc/88/85/04/563888504.db2.gz HHMSEMGVJMBUBA-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccccc2)[nH]1 ZINC000171917136 563909789 /nfs/dbraw/zinc/90/97/89/563909789.db2.gz YJJMXZGICFHQIG-QGZVFWFLSA-N 0 0 318.376 3.935 40 0 DHABRN C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000004544090 563909802 /nfs/dbraw/zinc/90/98/02/563909802.db2.gz CHNXZKVNWQUJIB-WSBLSWJJSA-N 0 0 312.453 3.883 40 0 DHABRN CCCN1C(=O)S/C(=C\c2c(C)n(C)c3ccccc23)C1=O ZINC000006323835 563921286 /nfs/dbraw/zinc/92/12/86/563921286.db2.gz CASBDSSKWHJPPB-GDNBJRDFSA-N 0 0 314.410 3.933 40 0 DHABRN CC(C)OCCCNC(=O)CSCc1ccccc1Cl ZINC000006345036 563921414 /nfs/dbraw/zinc/92/14/14/563921414.db2.gz AVSRZUIALFGMNI-UHFFFAOYSA-N 0 0 315.866 3.505 40 0 DHABRN CC(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 ZINC000006967379 563922014 /nfs/dbraw/zinc/92/20/14/563922014.db2.gz DJHUXNANDOMBNI-UHFFFAOYSA-N 0 0 306.365 3.791 40 0 DHABRN Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(C)c3C)CC2=O)c1 ZINC000007929062 563922034 /nfs/dbraw/zinc/92/20/34/563922034.db2.gz NTIWMFKMWPWESA-INIZCTEOSA-N 0 0 323.392 3.570 40 0 DHABRN Cc1cccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C)CC2=O)c1 ZINC000007929073 563922098 /nfs/dbraw/zinc/92/20/98/563922098.db2.gz NBYIASKLTULOKT-MRXNPFEDSA-N 0 0 323.392 3.570 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c(C)c1 ZINC000008040571 563922151 /nfs/dbraw/zinc/92/21/51/563922151.db2.gz QACCVBVTNBCTHU-LBPRGKRZSA-N 0 0 305.324 3.988 40 0 DHABRN Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000010110581 563922437 /nfs/dbraw/zinc/92/24/37/563922437.db2.gz RCNYJHVOTBCSIV-HNNXBMFYSA-N 0 0 315.388 3.650 40 0 DHABRN COCCCNC(=O)c1ccccc1SCc1ccccc1 ZINC000010328123 563922591 /nfs/dbraw/zinc/92/25/91/563922591.db2.gz QLYSTQROMMPZKM-UHFFFAOYSA-N 0 0 315.438 3.745 40 0 DHABRN S=C(NCCC1=CCCCC1)Nc1ccc2ncncc2c1 ZINC000033706928 563923103 /nfs/dbraw/zinc/92/31/03/563923103.db2.gz HULNTNZPMGCIDF-UHFFFAOYSA-N 0 0 312.442 3.807 40 0 DHABRN N#CC1(c2cccnc2Cl)CCN(Cc2ccccc2)CC1 ZINC000147516063 563923531 /nfs/dbraw/zinc/92/35/31/563923531.db2.gz DIPWEMVHASFQGL-UHFFFAOYSA-N 0 0 311.816 3.792 40 0 DHABRN CCCCNC(=O)Nc1cccc(NC(=O)NCCCC)c1 ZINC000001627367 563924836 /nfs/dbraw/zinc/92/48/36/563924836.db2.gz LNUQBQVIWFFBHT-UHFFFAOYSA-N 0 0 306.410 3.530 40 0 DHABRN OC(COc1ccccc1Cl)COc1ccccc1Cl ZINC000001561572 563924922 /nfs/dbraw/zinc/92/49/22/563924922.db2.gz XELWKDNRDKLWSI-UHFFFAOYSA-N 0 0 313.180 3.812 40 0 DHABRN COc1ccc(-c2csc(Nc3ccc(OC)nc3)n2)cc1 ZINC000255190089 563927795 /nfs/dbraw/zinc/92/77/95/563927795.db2.gz UYKGQCQVAAUDGD-UHFFFAOYSA-N 0 0 313.382 3.966 40 0 DHABRN c1ccc2c(c1)OCc1nnc(C34CC5CC(CC(C5)C3)C4)n1-2 ZINC000226822797 563941208 /nfs/dbraw/zinc/94/12/08/563941208.db2.gz WWKLGQCTLPLFBE-UHFFFAOYSA-N 0 0 307.397 3.628 40 0 DHABRN CCCCc1cc(C[C@@H]2C[C@H](NC(=O)C3CCC3)C2(C)C)no1 ZINC000067889848 563950613 /nfs/dbraw/zinc/95/06/13/563950613.db2.gz VKQSDQINZQKYNU-PBHICJAKSA-N 0 0 318.461 3.891 40 0 biogenic,in-vitro DHABRN CC(C)(C)CN1CCOC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000067898756 563950644 /nfs/dbraw/zinc/95/06/44/563950644.db2.gz TZAODSIYLXLHGF-INIZCTEOSA-N 0 0 317.408 3.635 40 0 biogenic,in-vitro DHABRN Fc1cc(Nc2cc(Cl)nc(CC3CC3)n2)cc(F)c1F ZINC000329038059 563959589 /nfs/dbraw/zinc/95/95/89/563959589.db2.gz RQYUEGAEOXJBOZ-UHFFFAOYSA-N 0 0 313.710 4.243 40 0 DHABRN CC[C@H](C)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)n1 ZINC000329022613 563960315 /nfs/dbraw/zinc/96/03/15/563960315.db2.gz ONKZSYLJJXCSFG-NSHDSACASA-N 0 0 300.381 4.447 40 0 DHABRN CCc1nc(N)c2c(n1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O ZINC000408712671 563960537 /nfs/dbraw/zinc/96/05/37/563960537.db2.gz GFESTPVLHSGRTL-ZDUSSCGKSA-N 0 0 323.440 3.831 40 0 DHABRN CCOC(=O)c1cc2cc(Cl)ncc2n1C(=O)OC(C)(C)C ZINC000145565665 568415863 /nfs/dbraw/zinc/41/58/63/568415863.db2.gz ITDMACPUEZKQJT-UHFFFAOYSA-N 0 0 324.764 3.650 40 0 DHABRN O[C@@](c1ccccc1)(c1ccncc1)C(F)(F)C(F)(F)F ZINC000002528693 568421961 /nfs/dbraw/zinc/42/19/61/568421961.db2.gz KPGVGHYFJYBYAV-LBPRGKRZSA-N 0 0 303.230 3.515 40 0 DHABRN COc1ccc(NC(=S)Nc2cc(C)ccc2OC)cc1F ZINC000071325889 1014168371 /nfs/dbraw/zinc/16/83/71/1014168371.db2.gz TZEUXLWGJPWFQH-UHFFFAOYSA-N 0 0 320.389 3.960 40 0 DHABRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2Cl)cc1 ZINC000067086321 1014657566 /nfs/dbraw/zinc/65/75/66/1014657566.db2.gz SNGDKLJRHITSNE-CYBMUJFWSA-N 0 0 303.789 3.846 40 0 DHABRN CCOC(=O)CN(C(=O)c1ccccc1)c1c(C)cccc1C ZINC000255189358 1019336850 /nfs/dbraw/zinc/33/68/50/1019336850.db2.gz PHKHEIAUJZVMHP-UHFFFAOYSA-N 0 0 311.381 3.513 40 0 DHABRN CN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000000882020 1019922131 /nfs/dbraw/zinc/92/21/31/1019922131.db2.gz QNGNEQCOPDVAFK-UHFFFAOYSA-N 0 0 324.405 3.852 40 0 DHABRN Fc1ccc(-c2nc3ccccn3c2NC[C@@H]2CCCO2)cc1 ZINC000000904079 1019978015 /nfs/dbraw/zinc/97/80/15/1019978015.db2.gz ZFDPJAHSVGWTNB-HNNXBMFYSA-N 0 0 311.360 3.731 40 0 DHABRN O=C(Nc1ccc(-c2csnn2)cc1)c1cccnc1Cl ZINC000000165038 1020502039 /nfs/dbraw/zinc/50/20/39/1020502039.db2.gz ANMMFFACFBVLPM-UHFFFAOYSA-N 0 0 316.773 3.506 40 0 DHABRN COc1ccc(CCCC(=O)NCCc2ccccc2)c(C)c1 ZINC000005127289 1021268980 /nfs/dbraw/zinc/26/89/80/1021268980.db2.gz KPVPQEPQQHXZSA-UHFFFAOYSA-N 0 0 311.425 3.685 40 0 DHABRN Cc1c(F)cccc1NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000071325986 1022149485 /nfs/dbraw/zinc/14/94/85/1022149485.db2.gz QZBCUSYQBFPBNQ-UHFFFAOYSA-N 0 0 318.373 3.714 40 0 DHABRN CC(C)c1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000042646501 1022493664 /nfs/dbraw/zinc/49/36/64/1022493664.db2.gz RNYGXPYBSMYTOW-HNNXBMFYSA-N 0 0 324.424 3.668 40 0 DHABRN CC(C)(O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC000149594496 1022973885 /nfs/dbraw/zinc/97/38/85/1022973885.db2.gz XGKNZPOYMFGAHD-GOSISDBHSA-N 0 0 301.405 3.798 40 0 DHABRN Cc1ccccc1CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000223261770 1024591990 /nfs/dbraw/zinc/59/19/90/1024591990.db2.gz QIQNKNDOHQFXPP-MRXNPFEDSA-N 0 0 323.436 3.958 40 0 DHABRN CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2F)cc1 ZINC000223286617 1024592087 /nfs/dbraw/zinc/59/20/87/1024592087.db2.gz DLITUOFBGWVRBY-ZDUSSCGKSA-N 0 0 321.417 3.569 40 0 DHABRN CCOc1cc(CNC(=O)c2ccc(C)c(C)c2)ccc1OC ZINC000074628295 185004119 /nfs/dbraw/zinc/00/41/19/185004119.db2.gz PNWUWHUHGJFVML-UHFFFAOYSA-N 0 0 313.397 3.641 40 0 DHABRN CCC[C@H](C)NC(=S)Nc1ccc(OC)c2ncccc12 ZINC000225384711 201697949 /nfs/dbraw/zinc/69/79/49/201697949.db2.gz BKBGJZAHPXEHQM-NSHDSACASA-N 0 0 303.431 3.718 40 0 DHABRN CCOC(=O)CCCCOc1cc(Br)ccc1F ZINC000095738542 185383888 /nfs/dbraw/zinc/38/38/88/185383888.db2.gz UYNPPKWQVJYHTH-UHFFFAOYSA-N 0 0 319.170 3.700 40 0 DHABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)cc1C ZINC000096659188 185385097 /nfs/dbraw/zinc/38/50/97/185385097.db2.gz MAWHJZCZWHOKQF-UHFFFAOYSA-N 0 0 319.426 3.730 40 0 DHABRN Cc1ccnc(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000079440837 185171863 /nfs/dbraw/zinc/17/18/63/185171863.db2.gz TYMLVMCQAMQQKW-ZDUSSCGKSA-N 0 0 308.447 3.739 40 0 DHABRN Cc1cc(C)cc(CN2CCn3c(-c4ccco4)cnc3C2)c1 ZINC000306143088 231091116 /nfs/dbraw/zinc/09/11/16/231091116.db2.gz XTDNIGZPSHKNSR-UHFFFAOYSA-N 0 0 307.397 3.776 40 0 DHABRN CCOc1ccc(CNC(=O)Cc2ccccc2Cl)cc1 ZINC000225437262 201709310 /nfs/dbraw/zinc/70/93/10/201709310.db2.gz CNJAGBAGTHIJIT-UHFFFAOYSA-N 0 0 303.789 3.598 40 0 DHABRN CCCC(=O)Nc1cccc(NC(=O)c2cccnc2Cl)c1 ZINC000014258445 190639523 /nfs/dbraw/zinc/63/95/23/190639523.db2.gz HMOREQALEWTXTF-UHFFFAOYSA-N 0 0 317.776 3.726 40 0 DHABRN O=C(NC1CCCCCC1)c1snnc1-c1ccc(F)cc1 ZINC000225777124 201744998 /nfs/dbraw/zinc/74/49/98/201744998.db2.gz LHGJPYWKVCTTLW-UHFFFAOYSA-N 0 0 319.405 3.797 40 0 DHABRN Cc1cccc(NC(=S)N[C@H](C)COc2ccccc2)c1 ZINC000225781161 201745975 /nfs/dbraw/zinc/74/59/75/201745975.db2.gz BSGVRGPITNNVSF-CQSZACIVSA-N 0 0 300.427 3.749 40 0 DHABRN O=C(Nc1cccc(F)c1)c1snnc1-c1cccs1 ZINC000225788049 201746906 /nfs/dbraw/zinc/74/69/06/201746906.db2.gz AXJOJAPISQNJSI-UHFFFAOYSA-N 0 0 305.359 3.658 40 0 DHABRN CCO[C@](C)(C(=O)Nc1ccc(OC)c2ccccc12)C1CC1 ZINC000225836959 201753227 /nfs/dbraw/zinc/75/32/27/201753227.db2.gz BLLHNKITBDXTFN-IBGZPJMESA-N 0 0 313.397 3.992 40 0 DHABRN COCCC1(NC(=S)Nc2ccc(F)cc2F)CCCC1 ZINC000225857430 201755438 /nfs/dbraw/zinc/75/54/38/201755438.db2.gz UUNBLJVIWFAQBV-UHFFFAOYSA-N 0 0 314.401 3.601 40 0 DHABRN CCOc1ccc(NC(=S)NC2(CCOC)CCCC2)cc1 ZINC000225848500 201756156 /nfs/dbraw/zinc/75/61/56/201756156.db2.gz LCZKWRKKABEEDV-UHFFFAOYSA-N 0 0 322.474 3.721 40 0 DHABRN CCCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C ZINC000225883426 201758270 /nfs/dbraw/zinc/75/82/70/201758270.db2.gz JBCAGBIYWGOMOW-GOSISDBHSA-N 0 0 322.449 3.959 40 0 DHABRN 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DHABRN COc1ccc(S[C@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000007935391 181509730 /nfs/dbraw/zinc/50/97/30/181509730.db2.gz SISQOFUCVRCYNH-CQSZACIVSA-N 0 0 315.438 3.801 40 0 DHABRN O=c1[nH]nc(-c2ccccc2)c2c(C=Cc3ccccc3)onc21 ZINC000008655223 181570914 /nfs/dbraw/zinc/57/09/14/181570914.db2.gz VRYKFIRXOJNVEI-QXMHVHEDSA-N 0 0 315.332 3.749 40 0 DHABRN C[C@@](O)(c1cccc(OCc2ccccc2)c1)c1ccccn1 ZINC000012875131 181806441 /nfs/dbraw/zinc/80/64/41/181806441.db2.gz YIAMFHATNLIDAO-HXUWFJFHSA-N 0 0 305.377 3.916 40 0 DHABRN Cc1ccc(SCCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000016018681 182029275 /nfs/dbraw/zinc/02/92/75/182029275.db2.gz ZZAPTKONTPODAT-UHFFFAOYSA-N 0 0 315.394 3.845 40 0 DHABRN Cc1onc(-c2ccccc2Cl)c1[C@H](O)NCc1ccco1 ZINC000016249563 182038408 /nfs/dbraw/zinc/03/84/08/182038408.db2.gz ZTPFXTZWGLGSQC-INIZCTEOSA-N 0 0 318.760 3.677 40 0 DHABRN CC1(C)CC(=O)CC(C)(C)C1NC(=O)c1ccc(Cl)cc1 ZINC000016577703 182049759 /nfs/dbraw/zinc/04/97/59/182049759.db2.gz BVMWFJPXGAOTLL-UHFFFAOYSA-N 0 0 307.821 3.854 40 0 DHABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=S)NCc1ccccc1)C2 ZINC000016578050 182049941 /nfs/dbraw/zinc/04/99/41/182049941.db2.gz MGDNADWLORGFGA-CRAIPNDOSA-N 0 0 302.487 3.962 40 0 DHABRN CC(C)(C)NC(=O)c1cccnc1-c1nc2ccccc2s1 ZINC000016780003 182060823 /nfs/dbraw/zinc/06/08/23/182060823.db2.gz XVPRQNYBFSZZGK-UHFFFAOYSA-N 0 0 311.410 3.887 40 0 DHABRN c1ccc([C@@H]2COC(CC3=N[C@@H](c4ccccc4)CO3)=N2)cc1 ZINC000017888886 182087459 /nfs/dbraw/zinc/08/74/59/182087459.db2.gz IUFHJPXOLHSJTC-CALCHBBNSA-N 0 0 306.365 3.717 40 0 DHABRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C ZINC000018109323 182093482 /nfs/dbraw/zinc/09/34/82/182093482.db2.gz PTDPADUGRFJAEV-CQSZACIVSA-N 0 0 311.381 3.566 40 0 DHABRN Cc1ccccc1CNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000018831832 182102550 /nfs/dbraw/zinc/10/25/50/182102550.db2.gz PYQXXKWEOUKMGX-ZDUSSCGKSA-N 0 0 303.789 3.732 40 0 DHABRN Cn1ccc([C@@H]2CCCCCN2Cc2cc(F)ccc2F)n1 ZINC000019291060 182113496 /nfs/dbraw/zinc/11/34/96/182113496.db2.gz XPKHDHIBTRDOGF-KRWDZBQOSA-N 0 0 305.372 3.816 40 0 DHABRN CCOC(=O)c1ccccc1NC(=O)CCc1ccccc1F ZINC000019162731 182106037 /nfs/dbraw/zinc/10/60/37/182106037.db2.gz YCUIMYHGOAUJCP-UHFFFAOYSA-N 0 0 315.344 3.574 40 0 DHABRN O=c1c2ccccc2sc2c1CN(Cc1ccccc1)CN2 ZINC000019203158 182106969 /nfs/dbraw/zinc/10/69/69/182106969.db2.gz ZEOVCKGFJJMSFC-UHFFFAOYSA-N 0 0 308.406 3.647 40 0 DHABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1N ZINC000019232415 182110496 /nfs/dbraw/zinc/11/04/96/182110496.db2.gz CIAYUSVYLIYZIP-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN CC(C)(C)c1ccc2c(c1)O[C@@](N)(C(Cl)(Cl)Cl)O2 ZINC000019314147 182114090 /nfs/dbraw/zinc/11/40/90/182114090.db2.gz MRCKVZPVLJSTCC-GFCCVEGCSA-N 0 0 310.608 3.738 40 0 DHABRN CC[C@H]1c2cccn2CCN1Cc1c[nH]nc1-c1ccc(O)cc1 ZINC000019500991 182125644 /nfs/dbraw/zinc/12/56/44/182125644.db2.gz OKHDCOJYBDJVLM-KRWDZBQOSA-N 0 0 322.412 3.551 40 0 DHABRN O=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1O ZINC000019986587 182173665 /nfs/dbraw/zinc/17/36/65/182173665.db2.gz POJPGFQJAKWRDB-UHFFFAOYSA-N 0 0 310.180 3.672 40 0 DHABRN Cc1cccc(-c2nnc(CSc3nnc(C(C)C)o3)o2)c1 ZINC000020034593 182182094 /nfs/dbraw/zinc/18/20/94/182182094.db2.gz DVHURQGTMOOWFI-UHFFFAOYSA-N 0 0 316.386 3.844 40 0 DHABRN COc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000020041316 182182856 /nfs/dbraw/zinc/18/28/56/182182856.db2.gz KRODVNHFWJWRBD-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCCC(C)(C)C1 ZINC000020042187 182183007 /nfs/dbraw/zinc/18/30/07/182183007.db2.gz FPLIRBSCDGXSMU-MRXNPFEDSA-N 0 0 305.418 3.501 40 0 DHABRN CCCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1OC ZINC000020136636 182190884 /nfs/dbraw/zinc/19/08/84/182190884.db2.gz YEIPPFNSBJSJSQ-UHFFFAOYSA-N 0 0 317.385 3.966 40 0 DHABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)C(F)(F)F ZINC000020137031 182191171 /nfs/dbraw/zinc/19/11/71/182191171.db2.gz AASDGLSVPPKYHW-UHFFFAOYSA-N 0 0 319.666 3.593 40 0 DHABRN COc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1Cl ZINC000020194181 182195893 /nfs/dbraw/zinc/19/58/93/182195893.db2.gz WEXPZSBLWVFFCP-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN Cc1ccccc1COc1ccc(Br)cc1CO ZINC000020298072 182203761 /nfs/dbraw/zinc/20/37/61/182203761.db2.gz OHVDORWBUZOHRA-UHFFFAOYSA-N 0 0 307.187 3.829 40 0 DHABRN Nc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000020343814 182209735 /nfs/dbraw/zinc/20/97/35/182209735.db2.gz XLISHVKGTTYFLR-UHFFFAOYSA-N 0 0 311.168 3.593 40 0 DHABRN Nc1ccc(NC(=O)COc2ccc(Cl)cc2)c(Cl)c1 ZINC000020343805 182209844 /nfs/dbraw/zinc/20/98/44/182209844.db2.gz YESJYHIALGFOPI-UHFFFAOYSA-N 0 0 311.168 3.593 40 0 DHABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCc3ccccc32)c1 ZINC000020482822 182223081 /nfs/dbraw/zinc/22/30/81/182223081.db2.gz SAKAMUZKWJRCBQ-INIZCTEOSA-N 0 0 309.409 3.968 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000020484226 182223122 /nfs/dbraw/zinc/22/31/22/182223122.db2.gz HMPCDZWBPFVBDJ-ZDUSSCGKSA-N 0 0 317.816 3.986 40 0 DHABRN COc1ccccc1CCCNC(=O)Cc1cc(C)ccc1C ZINC000020483703 182223231 /nfs/dbraw/zinc/22/32/31/182223231.db2.gz XHASTVGVQSCKML-UHFFFAOYSA-N 0 0 311.425 3.604 40 0 DHABRN Cc1nccn1-c1ccccc1CNC(=S)Nc1ccccc1 ZINC000020451814 182218627 /nfs/dbraw/zinc/21/86/27/182218627.db2.gz FRZYLMPZHJMRKZ-UHFFFAOYSA-N 0 0 322.437 3.667 40 0 DHABRN CCOC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Cl ZINC000020452332 182218712 /nfs/dbraw/zinc/21/87/12/182218712.db2.gz WZCHADBQDOISOW-UHFFFAOYSA-N 0 0 317.772 3.698 40 0 DHABRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000020454801 182219209 /nfs/dbraw/zinc/21/92/09/182219209.db2.gz DOASFLVLWVOQGK-CYBMUJFWSA-N 0 0 323.845 3.829 40 0 DHABRN COc1ccc(Cl)cc1NC(=O)c1noc2c1C[C@@H](C)CC2 ZINC000020572108 182233954 /nfs/dbraw/zinc/23/39/54/182233954.db2.gz QHNTUSDIPOJZNM-VIFPVBQESA-N 0 0 320.776 3.714 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 ZINC000020486669 182224030 /nfs/dbraw/zinc/22/40/30/182224030.db2.gz LHZJSTMJVHBDGX-KRWDZBQOSA-N 0 0 305.393 3.990 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1 ZINC000020494421 182224375 /nfs/dbraw/zinc/22/43/75/182224375.db2.gz FMVFDMJSBKGVDO-INIZCTEOSA-N 0 0 311.425 3.765 40 0 DHABRN CCCCNC(=O)CS[C@@H]1N=Nc2c3ccccc3[nH]c2N1 ZINC000020503042 182224950 /nfs/dbraw/zinc/22/49/50/182224950.db2.gz JYFCZHMOALVKHM-HNNXBMFYSA-N 0 0 317.418 3.610 40 0 DHABRN Nc1nc2c(c(-c3ccc(Cl)cc3)n1)C(=O)c1ccccc1-2 ZINC000020798080 182247504 /nfs/dbraw/zinc/24/75/04/182247504.db2.gz OFUMHZAEMLRAEP-UHFFFAOYSA-N 0 0 307.740 3.591 40 0 DHABRN Clc1ccccc1CNc1ccc(N2CCOCC2)cc1 ZINC000021801221 182290799 /nfs/dbraw/zinc/29/07/99/182290799.db2.gz VSCULZHEPMXVME-UHFFFAOYSA-N 0 0 302.805 3.789 40 0 DHABRN COC(=O)[C@@H](C)c1ccc(-c2ccc(OC(C)=O)cc2)c(F)c1 ZINC000022046971 182306354 /nfs/dbraw/zinc/30/63/54/182306354.db2.gz PPSZEZRRJWMPME-NSHDSACASA-N 0 0 316.328 3.695 40 0 in-vitro DHABRN COc1ccc2[nH]cc(CCNc3nc4ccccc4[nH]3)c2c1 ZINC000022126819 182309877 /nfs/dbraw/zinc/30/98/77/182309877.db2.gz YAMDKYZMOUTCLB-UHFFFAOYSA-N 0 0 306.369 3.707 40 0 DHABRN Cc1cc(C)nc(-n2nc(-c3cccc(Cl)c3)nc2Cl)n1 ZINC000022125575 182309995 /nfs/dbraw/zinc/30/99/95/182309995.db2.gz MXAHMBGHBNTHFV-UHFFFAOYSA-N 0 0 320.183 3.648 40 0 DHABRN Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 ZINC000022235192 182314112 /nfs/dbraw/zinc/31/41/12/182314112.db2.gz KXXBKDXXXWEXLB-UHFFFAOYSA-N 0 0 318.376 3.508 40 0 DHABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1C ZINC000022841299 182336788 /nfs/dbraw/zinc/33/67/88/182336788.db2.gz DVUNOHYNZXTRPJ-UHFFFAOYSA-N 0 0 307.390 3.806 40 0 DHABRN O=C(COc1cccc2cccnc21)NCCC1=CCCCC1 ZINC000023376343 182358519 /nfs/dbraw/zinc/35/85/19/182358519.db2.gz LJXXVCTWLGXEJY-UHFFFAOYSA-N 0 0 310.397 3.620 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000023530205 182363340 /nfs/dbraw/zinc/36/33/40/182363340.db2.gz HIFOIXBBFZNDJE-HUUCEWRRSA-N 0 0 313.397 3.648 40 0 DHABRN O=C(COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000024522125 182382613 /nfs/dbraw/zinc/38/26/13/182382613.db2.gz YJONASZQTPHSGT-UHFFFAOYSA-N 0 0 309.134 3.850 40 0 DHABRN C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1cnn(C)c1 ZINC000027919796 182498132 /nfs/dbraw/zinc/49/81/32/182498132.db2.gz UWMBAEHTJPBEJN-CQSZACIVSA-N 0 0 321.380 3.703 40 0 DHABRN Cc1cccc(CNC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000031108112 182606517 /nfs/dbraw/zinc/60/65/17/182606517.db2.gz HCKBSDIUOHOKPI-UHFFFAOYSA-N 0 0 303.789 3.652 40 0 DHABRN C[C@H]1CCc2c(sc3nc(C4CC4)n4c(=S)[nH]nc4c23)C1 ZINC000035312169 182769967 /nfs/dbraw/zinc/76/99/67/182769967.db2.gz VHUSWHWLUROSPD-ZETCQYMHSA-N 0 0 316.455 3.630 40 0 DHABRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1N ZINC000037274612 182877052 /nfs/dbraw/zinc/87/70/52/182877052.db2.gz QEOUIERCCLRZEB-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2F)cc1Cl ZINC000038773074 183009043 /nfs/dbraw/zinc/00/90/43/183009043.db2.gz FPFFJDQXBKMHJC-UHFFFAOYSA-N 0 0 321.735 3.908 40 0 DHABRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCc2ccccc2C1 ZINC000038771915 183009049 /nfs/dbraw/zinc/00/90/49/183009049.db2.gz UFGYNXAYHFHMOK-GOSISDBHSA-N 0 0 309.409 3.737 40 0 DHABRN COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(C)cc2C)c1 ZINC000038772668 183009315 /nfs/dbraw/zinc/00/93/15/183009315.db2.gz NFJGYOXEMHLYQU-CQSZACIVSA-N 0 0 313.397 3.812 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000038852453 183011690 /nfs/dbraw/zinc/01/16/90/183011690.db2.gz HNPMEKDEXXFBEE-UHFFFAOYSA-N 0 0 323.440 3.860 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000039954389 183024339 /nfs/dbraw/zinc/02/43/39/183024339.db2.gz HBZXISOSESAAPP-CQSZACIVSA-N 0 0 314.385 3.623 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](COc2c(F)cccc2F)C1 ZINC000039954456 183024368 /nfs/dbraw/zinc/02/43/68/183024368.db2.gz FXMMRJQUSQUEIH-NSHDSACASA-N 0 0 313.344 3.601 40 0 DHABRN COc1ccc([C@H](O)c2cccc(Br)c2)cc1C ZINC000040262435 183049278 /nfs/dbraw/zinc/04/92/78/183049278.db2.gz AMZOYJPXKAEUPJ-OAHLLOKOSA-N 0 0 307.187 3.848 40 0 DHABRN CN(C)c1ccc(N)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000040296678 183052974 /nfs/dbraw/zinc/05/29/74/183052974.db2.gz GIOCXHKUYDPSST-UHFFFAOYSA-N 0 0 324.211 3.894 40 0 DHABRN Cc1cc2nc(-c3ccc(N)cc3O)oc2c(Br)c1 ZINC000040542283 183098530 /nfs/dbraw/zinc/09/85/30/183098530.db2.gz BMEBMTPUKNWRJN-UHFFFAOYSA-N 0 0 319.158 3.854 40 0 DHABRN Cc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2C)c(C)c1 ZINC000041091179 183164034 /nfs/dbraw/zinc/16/40/34/183164034.db2.gz VIBSUYJVDIAIEG-UHFFFAOYSA-N 0 0 307.390 3.860 40 0 DHABRN COC(=O)c1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1 ZINC000041306845 183185150 /nfs/dbraw/zinc/18/51/50/183185150.db2.gz WODAFSDRHWAYGF-UHFFFAOYSA-N 0 0 309.321 3.780 40 0 DHABRN O=C(NCc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000045201424 183489074 /nfs/dbraw/zinc/48/90/74/183489074.db2.gz SHQQXGDFQHRGJS-UHFFFAOYSA-N 0 0 319.360 3.541 40 0 DHABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccn2)c1 ZINC000045584595 183517037 /nfs/dbraw/zinc/51/70/37/183517037.db2.gz XKLZXVRAFJGWRR-OAHLLOKOSA-N 0 0 312.413 3.597 40 0 DHABRN Cc1cc2nc(-c3ccc(Cn4cnnc4)cc3)oc2c(C)c1 ZINC000045920831 183536550 /nfs/dbraw/zinc/53/65/50/183536550.db2.gz REJIGPCUQIBZMX-UHFFFAOYSA-N 0 0 304.353 3.751 40 0 DHABRN CCOc1ccccc1CNC(=S)Nc1ccc(C)cc1 ZINC000053521380 183904845 /nfs/dbraw/zinc/90/48/45/183904845.db2.gz VESBAOLWWLJTNC-UHFFFAOYSA-N 0 0 300.427 3.880 40 0 DHABRN C[C@@H]1CCCCN1C(=O)/C=C/c1cccc(Br)c1 ZINC000059843237 184141395 /nfs/dbraw/zinc/14/13/95/184141395.db2.gz KUBVKBHLTYWJLO-IDVQTMNDSA-N 0 0 308.219 3.863 40 0 DHABRN CSc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1 ZINC000064572324 184300449 /nfs/dbraw/zinc/30/04/49/184300449.db2.gz NBCCXZBMKJNVGX-UHFFFAOYSA-N 0 0 315.504 3.902 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000113960008 194624125 /nfs/dbraw/zinc/62/41/25/194624125.db2.gz FJFCMOSGJXWBGW-BLLLJJGKSA-N 0 0 319.351 4.000 40 0 DHABRN CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000113968858 194624617 /nfs/dbraw/zinc/62/46/17/194624617.db2.gz WXNNDZUVFXBEQZ-KSSFIOAISA-N 0 0 313.397 3.730 40 0 DHABRN CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(F)cc2)cc1 ZINC000113968821 194624933 /nfs/dbraw/zinc/62/49/33/194624933.db2.gz PNMJVJUJVRGEPO-GOSISDBHSA-N 0 0 315.388 3.862 40 0 DHABRN C[C@H]1Cc2ccccc2N1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000120732127 195226314 /nfs/dbraw/zinc/22/63/14/195226314.db2.gz COASDXAGVKBUOO-HNNXBMFYSA-N 0 0 317.392 3.523 40 0 DHABRN CCCCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000014796041 256526160 /nfs/dbraw/zinc/52/61/60/256526160.db2.gz RDQWPPBOOURFNG-UHFFFAOYSA-N 0 0 310.397 3.777 40 0 DHABRN Cc1cc(C)cc(OCC(=O)NCCSC2CCCCC2)c1 ZINC000014399668 256526440 /nfs/dbraw/zinc/52/64/40/256526440.db2.gz WGJYRRFAUGNBMY-UHFFFAOYSA-N 0 0 321.486 3.864 40 0 DHABRN C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118931229 256585995 /nfs/dbraw/zinc/58/59/95/256585995.db2.gz MQKCILYFKAJWDB-IJMQKCTASA-N 0 0 302.458 3.837 40 0 DHABRN Cc1nc(N2CCCCCC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224568 257123799 /nfs/dbraw/zinc/12/37/99/257123799.db2.gz IOPINFBOZQZVBW-UHFFFAOYSA-N 0 0 319.449 3.795 40 0 DHABRN CC(C)(C)OC(=O)NCCCC(=O)c1cnc2ccccc2c1 ZINC000072219553 257123896 /nfs/dbraw/zinc/12/38/96/257123896.db2.gz GUJMRBYWARXPHU-UHFFFAOYSA-N 0 0 314.385 3.722 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccco2)cc1 ZINC000072221579 257123963 /nfs/dbraw/zinc/12/39/63/257123963.db2.gz JXCYIOIZSFWQLH-OAHLLOKOSA-N 0 0 305.399 3.504 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215919 257124997 /nfs/dbraw/zinc/12/49/97/257124997.db2.gz YTIZJQAJWYOMSL-OAHLLOKOSA-N 0 0 317.433 3.754 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216737 257125679 /nfs/dbraw/zinc/12/56/79/257125679.db2.gz JJNZWRODKCTJQJ-KRWDZBQOSA-N 0 0 301.434 3.536 40 0 DHABRN CCN(C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212773 257127289 /nfs/dbraw/zinc/12/72/89/257127289.db2.gz NUZXWIXDWUULAP-AWEZNQCLSA-N 0 0 305.422 3.610 40 0 DHABRN CC(C)Oc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072211907 257127408 /nfs/dbraw/zinc/12/74/08/257127408.db2.gz GLHOEOAXDMFFTH-QGZVFWFLSA-N 0 0 310.397 3.846 40 0 DHABRN CN(C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212693 257127516 /nfs/dbraw/zinc/12/75/16/257127516.db2.gz PEYLDLBHBFDURK-QGZVFWFLSA-N 0 0 309.413 3.515 40 0 DHABRN CC(C)Oc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072211906 257127572 /nfs/dbraw/zinc/12/75/72/257127572.db2.gz GLHOEOAXDMFFTH-KRWDZBQOSA-N 0 0 310.397 3.846 40 0 DHABRN COc1cc2c(cc1Cl)nc(C)cc2OCC(=O)OC(C)C ZINC000064874624 257127994 /nfs/dbraw/zinc/12/79/94/257127994.db2.gz NWAQVXIHSVEMKJ-UHFFFAOYSA-N 0 0 323.776 3.536 40 0 DHABRN CCOC(=O)c1ccc(CNc2cccc(Br)c2)o1 ZINC000040175887 257130020 /nfs/dbraw/zinc/13/00/20/257130020.db2.gz DQOGOMSCEGLMHC-UHFFFAOYSA-N 0 0 324.174 3.831 40 0 DHABRN Cc1cccc(N2C[C@H](C(=O)Nc3cccc(C)c3C)CC2=O)c1 ZINC000059227302 257217083 /nfs/dbraw/zinc/21/70/83/257217083.db2.gz IUJBJBYTXYDQND-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 ZINC000059227247 257217279 /nfs/dbraw/zinc/21/72/79/257217279.db2.gz ICYSNHHPAJYRKV-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN CCc1ccc(C(=O)NC(=S)Nc2ccccc2CC)cc1 ZINC000021596422 257217665 /nfs/dbraw/zinc/21/76/65/257217665.db2.gz VQKCZDCJPBGREH-UHFFFAOYSA-N 0 0 312.438 3.938 40 0 DHABRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)NC1CCCC1 ZINC000021596283 257217668 /nfs/dbraw/zinc/21/76/68/257217668.db2.gz LRKSEUZGOBIOGJ-UHFFFAOYSA-N 0 0 320.502 3.526 40 0 DHABRN COc1ccc(/C=C/C(=O)NCCCc2cccc(C)c2)cc1 ZINC000010110612 257218072 /nfs/dbraw/zinc/21/80/72/257218072.db2.gz OTTYAZVDKXKIFC-JLHYYAGUSA-N 0 0 309.409 3.766 40 0 DHABRN S=C(C1=Cc2ccccc2OC1)N1CCc2ccccc2C1 ZINC000409206212 257220457 /nfs/dbraw/zinc/22/04/57/257220457.db2.gz NETPJHRHJMPDQF-UHFFFAOYSA-N 0 0 307.418 3.848 40 0 DHABRN COc1cccc(OC)c1/C=C/C(=O)Nc1c(F)cccc1F ZINC000409235886 257220665 /nfs/dbraw/zinc/22/06/65/257220665.db2.gz CRKWQSVGQRQNOX-MDZDMXLPSA-N 0 0 319.307 3.634 40 0 DHABRN O=C1S/C(=C\c2ccc[nH]2)C(=O)N1CCCc1ccccc1 ZINC000409146420 257221784 /nfs/dbraw/zinc/22/17/84/257221784.db2.gz TZTBGHUKIOWUHN-QINSGFPZSA-N 0 0 312.394 3.684 40 0 DHABRN CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000409147057 257221974 /nfs/dbraw/zinc/22/19/74/257221974.db2.gz MFEWVOCVGPBKPP-LBPRGKRZSA-N 0 0 310.825 3.611 40 0 DHABRN Cc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)o1 ZINC000409005554 257224551 /nfs/dbraw/zinc/22/45/51/257224551.db2.gz FSVIVYYCTBPZGQ-PTNGSMBKSA-N 0 0 313.378 3.867 40 0 DHABRN O=C(/C=C/c1ccccc1Cl)NCCSCc1ccco1 ZINC000408925095 257225320 /nfs/dbraw/zinc/22/53/20/257225320.db2.gz LZRDBJVCTNWYQL-BQYQJAHWSA-N 0 0 321.829 3.996 40 0 DHABRN COc1cccc(C(=O)Nc2cc3c(cc2OC)CCCC3)c1 ZINC000408927820 257225516 /nfs/dbraw/zinc/22/55/16/257225516.db2.gz RPHPOTDJGGBCNY-UHFFFAOYSA-N 0 0 311.381 3.835 40 0 DHABRN Cc1c(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc2n1C ZINC000408811012 257226491 /nfs/dbraw/zinc/22/64/91/257226491.db2.gz LQHZJBDITCJTTG-SFQUDFHCSA-N 0 0 316.360 3.831 40 0 DHABRN CCCc1sc(NC(C)=O)nc1-c1ccc(OC)c(OC)c1 ZINC000408824756 257226831 /nfs/dbraw/zinc/22/68/31/257226831.db2.gz HPHBFTNAPSIOQY-UHFFFAOYSA-N 0 0 320.414 3.738 40 0 DHABRN O=C(Nc1ccc2nccnc2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000408735235 257227009 /nfs/dbraw/zinc/22/70/09/257227009.db2.gz MRHXGZNHOXSCNQ-OAHLLOKOSA-N 0 0 318.380 3.651 40 0 DHABRN C[C@H]1Cc2ccccc2N1C(=S)Oc1ccc2nccnc2c1 ZINC000408735763 257227373 /nfs/dbraw/zinc/22/73/73/257227373.db2.gz WSDMFEXFBXWEGD-LBPRGKRZSA-N 0 0 321.405 3.745 40 0 DHABRN CC(C)C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000408714294 257228117 /nfs/dbraw/zinc/22/81/17/257228117.db2.gz NGEYVMOYJLIKDO-UHFFFAOYSA-N 0 0 315.417 3.649 40 0 DHABRN Cc1ccc(OCC(=O)NCCSC2CCCCC2)cc1C ZINC000408705589 257228394 /nfs/dbraw/zinc/22/83/94/257228394.db2.gz JDHBAPOUCUQXKL-UHFFFAOYSA-N 0 0 321.486 3.864 40 0 DHABRN CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000408666471 257228478 /nfs/dbraw/zinc/22/84/78/257228478.db2.gz PTFUEYKNXLEURT-MRXNPFEDSA-N 0 0 323.392 3.516 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1c(F)cccc1F ZINC000408703470 257228592 /nfs/dbraw/zinc/22/85/92/257228592.db2.gz SFDPNJFKCCSPEJ-OAHLLOKOSA-N 0 0 321.323 3.770 40 0 DHABRN O=C(Nc1cc(Cl)ccc1O)c1ccc(N2CCCC2)cc1 ZINC000408678386 257228648 /nfs/dbraw/zinc/22/86/48/257228648.db2.gz YARKEJXZMRCELT-UHFFFAOYSA-N 0 0 316.788 3.898 40 0 DHABRN Cc1nnc(SCC(=O)Nc2ccc(C(F)F)cc2)s1 ZINC000408543790 257230479 /nfs/dbraw/zinc/23/04/79/257230479.db2.gz QLELYEAHLJRWJP-UHFFFAOYSA-N 0 0 315.370 3.515 40 0 DHABRN COc1ccc(NC(=S)N[C@H](C)c2ccccc2)c(OC)c1 ZINC000013790319 257231663 /nfs/dbraw/zinc/23/16/63/257231663.db2.gz NXVHMTVPBHOJCV-GFCCVEGCSA-N 0 0 316.426 3.751 40 0 DHABRN CC(C)OCc1c(Br)cnn1CCC(F)(F)F ZINC000408716173 257215444 /nfs/dbraw/zinc/21/54/44/257215444.db2.gz JPHWKIRABXDSEZ-UHFFFAOYSA-N 0 0 315.133 3.523 40 0 DHABRN CC[C@H](C)OCc1c(Br)cnn1CC(F)(F)F ZINC000408717203 257215656 /nfs/dbraw/zinc/21/56/56/257215656.db2.gz WVYPOBLYDMLEKQ-ZETCQYMHSA-N 0 0 315.133 3.523 40 0 DHABRN CC(=O)C1C[C@@H]2[C@@H]3c4c[nH]c5cccc(c54)C[C@@H]3C(C)(C)N2C1=O ZINC000390822406 257261041 /nfs/dbraw/zinc/26/10/41/257261041.db2.gz TUGDEWADZKLGJL-URCRYYGISA-N 0 0 322.408 3.649 40 0 DHABRN CCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc(N)n1 ZINC000071977390 184917247 /nfs/dbraw/zinc/91/72/47/184917247.db2.gz UNXRBDAUVKSMFY-UHFFFAOYSA-N 0 0 321.380 3.800 40 0 DHABRN C[C@@H]1CN1[P@@](=O)(Oc1ccc2ccccc2c1)N1C[C@@H]1C ZINC000299814199 229465996 /nfs/dbraw/zinc/46/59/96/229465996.db2.gz ZGGMATWNKPRVSC-CGPAKSPXSA-N 0 0 302.314 3.735 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2SC)c1 ZINC000044845256 262513546 /nfs/dbraw/zinc/51/35/46/262513546.db2.gz XNFFZFGMWYUEJG-LBPRGKRZSA-N 0 0 317.410 3.823 40 0 DHABRN CCCOc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 ZINC000006324696 331495510 /nfs/dbraw/zinc/49/55/10/331495510.db2.gz QMJBCFDKMVPJHK-UHFFFAOYSA-N 0 0 323.348 3.834 40 0 DHABRN COc1ccc(SCC(=O)Nc2c(F)cccc2F)cc1 ZINC000007294707 331502111 /nfs/dbraw/zinc/50/21/11/331502111.db2.gz ATLIPJLYZLXQRS-UHFFFAOYSA-N 0 0 309.337 3.704 40 0 DHABRN CCC(=O)c1c2sc(=O)oc2c2ccccc2c1OC(C)=O ZINC000016610022 331568252 /nfs/dbraw/zinc/56/82/52/331568252.db2.gz NSEQNJSJIOGHEW-UHFFFAOYSA-N 0 0 316.334 3.526 40 0 DHABRN O=C1Nc2ccc(Br)cc2C[C@@H]1c1ccccc1 ZINC000196806673 331733888 /nfs/dbraw/zinc/73/38/88/331733888.db2.gz DYPMULWQJJLLBG-CYBMUJFWSA-N 0 0 302.171 3.728 40 0 DHABRN CCOCCCNc1ncc(-c2cc(C)no2)c(C(C)(C)C)n1 ZINC000072341137 331929822 /nfs/dbraw/zinc/92/98/22/331929822.db2.gz RIAUTEOBPXODOF-UHFFFAOYSA-N 0 0 318.421 3.576 40 0 DHABRN O=C(Nc1ccccc1N1CCCC1)c1ccc2nsnc2c1 ZINC000057316117 333396999 /nfs/dbraw/zinc/39/69/99/333396999.db2.gz OTWWCZARVCJUAG-UHFFFAOYSA-N 0 0 324.409 3.544 40 0 DHABRN CCCCCN1C(=O)S/C(=C\c2cc(C)n(C)c2C)C1=O ZINC000409203318 333402461 /nfs/dbraw/zinc/40/24/61/333402461.db2.gz XCMBWPIZZHGNMZ-UVTDQMKNSA-N 0 0 306.431 3.868 40 0 DHABRN COc1ccc(Cl)cc1NC(=O)c1cnc(C2CC2)nc1C ZINC000222565932 333404250 /nfs/dbraw/zinc/40/42/50/333404250.db2.gz ZDBQEGLJFWXSEH-UHFFFAOYSA-N 0 0 317.776 3.577 40 0 DHABRN Cc1cnc([C@@H](C)NCc2cn(C)nc2C2CCCCC2)o1 ZINC000328771329 334753390 /nfs/dbraw/zinc/75/33/90/334753390.db2.gz GXLDZXFVUQOXOM-CYBMUJFWSA-N 0 0 302.422 3.615 40 0 DHABRN CC(C)c1[nH]ccc1C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000332127435 336159713 /nfs/dbraw/zinc/15/97/13/336159713.db2.gz JWGGWSXLNAPVAE-UHFFFAOYSA-N 0 0 312.417 3.776 40 0 DHABRN CC(C)c1ccccc1OCCNC(=O)Cc1ccc(F)cc1 ZINC000223830938 519847339 /nfs/dbraw/zinc/84/73/39/519847339.db2.gz NDHKZFMRUAKTOY-UHFFFAOYSA-N 0 0 315.388 3.687 40 0 DHABRN CN(Cc1ccccc1)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000007505023 523340297 /nfs/dbraw/zinc/34/02/97/523340297.db2.gz XOUNPNBVEZDRIW-UHFFFAOYSA-N 0 0 308.425 3.949 40 0 DHABRN CCOP(=O)(OCC)C(F)(F)[C@@](C)(O)c1ccccc1 ZINC000306145833 529086107 /nfs/dbraw/zinc/08/61/07/529086107.db2.gz RWDXXPDOUZIVNY-LBPRGKRZSA-N 0 0 308.261 3.753 40 0 DHABRN O=C(Nc1ccc(N2CCCC2)cc1)c1cccnc1Cl ZINC000009064361 563644890 /nfs/dbraw/zinc/64/48/90/563644890.db2.gz ZHHZEDBITRANIV-UHFFFAOYSA-N 0 0 301.777 3.588 40 0 DHABRN CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000224667960 563743621 /nfs/dbraw/zinc/74/36/21/563743621.db2.gz NZJMDMJFDMRTRF-UHFFFAOYSA-N 0 0 309.818 3.864 40 0 DHABRN Cc1cccc(OCC(=O)NCc2c(Cl)cccc2Cl)c1 ZINC000028539680 563857189 /nfs/dbraw/zinc/85/71/89/563857189.db2.gz NTVXIJPQYOUMLK-UHFFFAOYSA-N 0 0 324.207 3.997 40 0 DHABRN Cc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000000581104 563854301 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3.933 40 0 DHABRN Cc1c(Cl)cccc1-n1nnnc1-c1ccc(Cl)cc1 ZINC000000338097 180761196 /nfs/dbraw/zinc/76/11/96/180761196.db2.gz OTOVTUNMEGHBOK-UHFFFAOYSA-N 0 0 305.168 3.945 40 0 DHABRN CCn1c(SCC(=O)c2ccc(F)cc2)nnc1C(C)C ZINC000000416681 180782025 /nfs/dbraw/zinc/78/20/25/180782025.db2.gz QYSFKQGYEAIBIU-UHFFFAOYSA-N 0 0 307.394 3.536 40 0 DHABRN CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1OCC ZINC000000422227 180784316 /nfs/dbraw/zinc/78/43/16/180784316.db2.gz OIJQVHJDZUDXCL-UHFFFAOYSA-N 0 0 300.314 3.794 40 0 DHABRN Cc1nnc(SCC(=O)c2ccccc2)n1-c1ccc(C)cc1 ZINC000000421993 180784703 /nfs/dbraw/zinc/78/47/03/180784703.db2.gz NLWBDVBABIQGLG-UHFFFAOYSA-N 0 0 323.421 3.859 40 0 DHABRN COc1ccc(NC(=O)/C=C/c2ccco2)cc1Br ZINC000000570569 180824644 /nfs/dbraw/zinc/82/46/44/180824644.db2.gz CATHNVXTNLUBLV-FNORWQNLSA-N 0 0 322.158 3.703 40 0 DHABRN Nc1cc2c(cc1Br)-c1ccc(Cl)cc1C2=O ZINC000001609852 180878647 /nfs/dbraw/zinc/87/86/47/180878647.db2.gz ARGLBUUBKVQXBS-UHFFFAOYSA-N 0 0 308.562 3.896 40 0 DHABRN CC[C@H](C(=O)c1ccccc1)c1cccc2c1N(C(C)=O)CC2 ZINC000001721216 180891542 /nfs/dbraw/zinc/89/15/42/180891542.db2.gz BETPHMROWLUSHW-KRWDZBQOSA-N 0 0 307.393 3.972 40 0 DHABRN Cc1c([C@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc2n1C ZINC000002046699 180908004 /nfs/dbraw/zinc/90/80/04/180908004.db2.gz XSHJTDDKKHPCKY-MRXNPFEDSA-N 0 0 318.376 3.534 40 0 DHABRN O=C(Nc1cccc(F)c1)c1cnc(Cl)nc1C(F)(F)F ZINC000002570225 180936675 /nfs/dbraw/zinc/93/66/75/180936675.db2.gz NZQMQQXQMKALHV-UHFFFAOYSA-N 0 0 319.645 3.540 40 0 DHABRN C[C@@H]1CC[C@](C)(C(=O)COC(=O)Cc2ccccc2)C1(C)C ZINC000003846158 181048460 /nfs/dbraw/zinc/04/84/60/181048460.db2.gz YBVCFOOQPVLIPF-AUUYWEPGSA-N 0 0 302.414 3.804 40 0 DHABRN O[C@](c1ccccc1)(c1cccnc1)C(Cl)(Cl)Cl ZINC000003844309 181048504 /nfs/dbraw/zinc/04/85/04/181048504.db2.gz PIFPFCFRPXPWQS-GFCCVEGCSA-N 0 0 302.588 3.688 40 0 DHABRN CCOc1cc([C@H]2NN=C(c3ccc(C)cc3)S2)ccc1O ZINC000004577317 181126948 /nfs/dbraw/zinc/12/69/48/181126948.db2.gz OSJBTRFRWZKZJC-KRWDZBQOSA-N 0 0 314.410 3.796 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201675074 /nfs/dbraw/zinc/67/50/74/201675074.db2.gz MWXVGMKDCYCWNO-UHFFFAOYSA-N 0 0 311.425 3.658 40 0 DHABRN COc1ccc(C(=O)NC2CCCCC2)cc1COCC(C)C ZINC000224445578 201676286 /nfs/dbraw/zinc/67/62/86/201676286.db2.gz ZXWHJNUWQZGCNH-UHFFFAOYSA-N 0 0 319.445 3.930 40 0 DHABRN Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(CCC(=O)[O-])n2)c1 ZINC000257292440 203017671 /nfs/dbraw/zinc/01/76/71/203017671.db2.gz QLMFUQYVLVQYFH-LJQANCHMSA-N 0 0 324.424 3.744 40 0 DHABRN O=C(c1ccc(Cl)cc1)N1CC[C@@H](Cc2nccs2)C1 ZINC000257328038 203051564 /nfs/dbraw/zinc/05/15/64/203051564.db2.gz XDVPMRZTWALFLB-NSHDSACASA-N 0 0 306.818 3.501 40 0 DHABRN COc1cc(C)ccc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 ZINC000257331258 203055089 /nfs/dbraw/zinc/05/50/89/203055089.db2.gz XSAVKLVDVPMJNM-KNIMUDFMSA-N 0 0 317.429 3.529 40 0 DHABRN Cc1c[nH]c([C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 ZINC000257319929 203045089 /nfs/dbraw/zinc/04/50/89/203045089.db2.gz VUQMZXGDKGEOTR-LLVKDONJSA-N 0 0 310.323 3.516 40 0 DHABRN 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319.404 3.968 40 0 DHABRN O=C([O-])[C@@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000011960330 181721132 /nfs/dbraw/zinc/72/11/32/181721132.db2.gz OTVJXTAAEKIZNU-LJQANCHMSA-N 0 0 309.409 3.767 40 0 DHABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@@H]1C=C[C@H]2CC1 ZINC000013151825 181834206 /nfs/dbraw/zinc/83/42/06/181834206.db2.gz WHRHSPJKHGPVCS-WAYYCVMKSA-N 0 0 322.191 3.695 40 0 DHABRN COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000013649344 181873999 /nfs/dbraw/zinc/87/39/99/181873999.db2.gz CNECLTJSULZNJH-MRXNPFEDSA-N 0 0 311.381 3.727 40 0 DHABRN Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2)c1 ZINC000013676655 181877971 /nfs/dbraw/zinc/87/79/71/181877971.db2.gz MVBGPYXURTYFES-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN C[C@H](Oc1ccccc1Cl)C(=O)NCCSC(C)(C)C ZINC000013709816 181882156 /nfs/dbraw/zinc/88/21/56/181882156.db2.gz OLDGJLQTTFMNSU-NSHDSACASA-N 0 0 315.866 3.755 40 0 DHABRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3ccccc31)[C@@H]1C=C[C@H]2CC1 ZINC000015225384 181992998 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ZINC000016918840 182064666 /nfs/dbraw/zinc/06/46/66/182064666.db2.gz LUAJVZPATZBQGQ-BGYRXZFFSA-N 0 0 324.376 3.694 40 0 DHABRN Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1C ZINC000016968902 182067358 /nfs/dbraw/zinc/06/73/58/182067358.db2.gz WDUCTNGIWXJKQY-UHFFFAOYSA-N 0 0 323.436 3.782 40 0 DHABRN CC(C)OCCCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000017055278 182072602 /nfs/dbraw/zinc/07/26/02/182072602.db2.gz LETUZHALFJTHMP-UHFFFAOYSA-N 0 0 320.380 3.807 40 0 DHABRN CC[C@H](NC(=O)Nc1ccccc1OC)c1ccc(OC)cc1 ZINC000018173833 182095774 /nfs/dbraw/zinc/09/57/74/182095774.db2.gz YKEUUYGSMHTAAF-HNNXBMFYSA-N 0 0 314.385 3.977 40 0 DHABRN COc1ccccc1NC(=O)N[C@H](C)c1ccccc1OC ZINC000018174232 182096617 /nfs/dbraw/zinc/09/66/17/182096617.db2.gz LHTJIYFWYWKCIF-GFCCVEGCSA-N 0 0 300.358 3.587 40 0 DHABRN C[C@H](NC(=O)COc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000018212545 182098760 /nfs/dbraw/zinc/09/87/60/182098760.db2.gz WURXFKVBHCHIBA-HNNXBMFYSA-N 0 0 309.409 3.822 40 0 DHABRN CCOc1ccc(C(=O)NCCSc2ccccc2)cc1 ZINC000018214495 182098798 /nfs/dbraw/zinc/09/87/98/182098798.db2.gz XSJCDCNPLUPWKZ-UHFFFAOYSA-N 0 0 301.411 3.607 40 0 DHABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1N ZINC000019230547 182108942 /nfs/dbraw/zinc/10/89/42/182108942.db2.gz FVCYNSDKLMWPDA-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN O=C(N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccncc1 ZINC000019373852 182120459 /nfs/dbraw/zinc/12/04/59/182120459.db2.gz JAQORNMJQZBIJX-RDGPPVDQSA-N 0 0 306.409 3.784 40 0 DHABRN O=C1Oc2nc3ccccc3cc2CN1CCc1cccc(F)c1 ZINC000019376297 182120506 /nfs/dbraw/zinc/12/05/06/182120506.db2.gz YWBHGSXWVIHXQP-UHFFFAOYSA-N 0 0 322.339 3.931 40 0 DHABRN O=C(N[C@@H]1[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]21)c1ccccn1 ZINC000019373844 182120613 /nfs/dbraw/zinc/12/06/13/182120613.db2.gz ALPSQXVJYVYTNK-CAMMJAKZSA-N 0 0 306.409 3.784 40 0 DHABRN O=C(CCc1ccncc1)Nc1nc2c(s1)CCCCCC2 ZINC000019405092 182121309 /nfs/dbraw/zinc/12/13/09/182121309.db2.gz ZUINZYUKQMNMTM-UHFFFAOYSA-N 0 0 315.442 3.768 40 0 DHABRN Cc1cc(NC(=O)c2cccc(N)c2)ccc1Br ZINC000019401139 182122021 /nfs/dbraw/zinc/12/20/21/182122021.db2.gz ZCDQMWIRZSLCSF-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN Cc1ccc(N)cc1NC(=O)c1cccc(Br)c1 ZINC000019512376 182126550 /nfs/dbraw/zinc/12/65/50/182126550.db2.gz CYOGGCIFUKPSLT-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CCCOc1cc(C(C)C)nc2cc(C3CCOCC3)nn21 ZINC000019503814 182126961 /nfs/dbraw/zinc/12/69/61/182126961.db2.gz LKKIHOWHCRNVSG-UHFFFAOYSA-N 0 0 303.406 3.536 40 0 DHABRN Cc1[nH]c2ccc(F)cc2c1-c1cn2c(n1)nnc1c2CCCC1 ZINC000019581464 182131484 /nfs/dbraw/zinc/13/14/84/182131484.db2.gz AXSRHENACAFOEG-UHFFFAOYSA-N 0 0 321.359 3.599 40 0 DHABRN CC(C)Nc1ncc(-c2ccccc2F)c(-c2nccn2C)n1 ZINC000019450364 182123743 /nfs/dbraw/zinc/12/37/43/182123743.db2.gz UYUVLPVACUKGPS-UHFFFAOYSA-N 0 0 311.364 3.504 40 0 DHABRN COc1cccc2cc(C(=O)Nc3ccc(F)c(F)c3)oc21 ZINC000019887889 182160828 /nfs/dbraw/zinc/16/08/28/182160828.db2.gz WZGROCHSOOLYNG-UHFFFAOYSA-N 0 0 303.264 3.972 40 0 DHABRN CCc1ccc(OCC(=O)Nc2ccc(N)cc2Cl)cc1 ZINC000019982343 182173249 /nfs/dbraw/zinc/17/32/49/182173249.db2.gz HPFIZASQRGMEMA-UHFFFAOYSA-N 0 0 304.777 3.502 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2)cc1OC ZINC000019933215 182167228 /nfs/dbraw/zinc/16/72/28/182167228.db2.gz WUYWBRYPYAZVTF-BRADTZPFSA-N 0 0 311.381 3.594 40 0 DHABRN CSc1ccc([C@@H](C)NC(=O)COc2ccccc2)cc1 ZINC000020025439 182180358 /nfs/dbraw/zinc/18/03/58/182180358.db2.gz BMNCOOGGYAWVGL-CYBMUJFWSA-N 0 0 301.411 3.665 40 0 DHABRN CCc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)o1 ZINC000020033715 182182438 /nfs/dbraw/zinc/18/24/38/182182438.db2.gz BMISKVLSRDFPGF-UHFFFAOYSA-N 0 0 317.197 3.914 40 0 DHABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1OC ZINC000020050359 182183650 /nfs/dbraw/zinc/18/36/50/182183650.db2.gz BVGBGQCLSDXWNO-AWEZNQCLSA-N 0 0 313.397 3.812 40 0 DHABRN CC[C@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020110246 182187481 /nfs/dbraw/zinc/18/74/81/182187481.db2.gz DYSFXWNLTNZXAF-ZDUSSCGKSA-N 0 0 305.399 3.556 40 0 DHABRN Cc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000020110336 182187858 /nfs/dbraw/zinc/18/78/58/182187858.db2.gz SBCWCPVCXSWKDS-UHFFFAOYSA-N 0 0 322.408 3.693 40 0 DHABRN CCCCCC(=O)Nc1ccc(OC)c(-c2ccc(CO)o2)c1 ZINC000020136642 182190808 /nfs/dbraw/zinc/19/08/08/182190808.db2.gz BDWVKNVAZCVROP-UHFFFAOYSA-N 0 0 317.385 3.966 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000020485613 182223227 /nfs/dbraw/zinc/22/32/27/182223227.db2.gz MIMTZFYZZJANBE-ZIAGYGMSSA-N 0 0 301.361 3.779 40 0 DHABRN CCOc1ccccc1CNC(=O)c1ccc(OC(C)C)cc1 ZINC000020456958 182219426 /nfs/dbraw/zinc/21/94/26/182219426.db2.gz FEWHNBTUTARMBB-UHFFFAOYSA-N 0 0 313.397 3.803 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2F)c(Cl)c1 ZINC000020459133 182220237 /nfs/dbraw/zinc/22/02/37/182220237.db2.gz OPCPWQXMCPNLFS-UHFFFAOYSA-N 0 0 321.735 3.908 40 0 DHABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCc1ccccc1 ZINC000020457149 182220249 /nfs/dbraw/zinc/22/02/49/182220249.db2.gz ACKYKRNDWNLGMK-SFHVURJKSA-N 0 0 311.425 3.820 40 0 DHABRN CCN(CC)C(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020490179 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182315583 /nfs/dbraw/zinc/31/55/83/182315583.db2.gz DOLFTCRAJMOOLZ-UHFFFAOYSA-N 0 0 315.369 3.663 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)CCCOc1ccccc1 ZINC000022367400 182319711 /nfs/dbraw/zinc/31/97/11/182319711.db2.gz CGZHAKHUSSMIJD-OAHLLOKOSA-N 0 0 313.397 3.732 40 0 DHABRN Cc1cc(C)cc(OCCNC(=O)Cc2ccc(Cl)cc2)c1 ZINC000022480042 182323534 /nfs/dbraw/zinc/32/35/34/182323534.db2.gz HRCQPEUGJZJHLS-UHFFFAOYSA-N 0 0 317.816 3.695 40 0 DHABRN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000022529205 182324710 /nfs/dbraw/zinc/32/47/10/182324710.db2.gz VFKVDUSNJPETLC-GJZGRUSLSA-N 0 0 313.397 3.648 40 0 DHABRN CC(C)CNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000022523556 182325036 /nfs/dbraw/zinc/32/50/36/182325036.db2.gz DGQLEMCVSUXRNK-UHFFFAOYSA-N 0 0 306.258 3.999 40 0 DHABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000022525253 182325103 /nfs/dbraw/zinc/32/51/03/182325103.db2.gz GGVAJBZQIAFWDK-LSDHHAIUSA-N 0 0 313.397 3.648 40 0 DHABRN CC(=O)c1cccc(NC(=O)CSCc2ccccc2F)c1 ZINC000024064830 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312.394 3.997 40 0 DHABRN CCn1ccsc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408563049 257229782 /nfs/dbraw/zinc/22/97/82/257229782.db2.gz TWOAEAPLKPVPGH-VXPUYCOJSA-N 0 0 322.433 3.829 40 0 DHABRN COc1ccc(-c2ccc(OC(=O)c3ccccc3F)nn2)cc1 ZINC000408528798 257230317 /nfs/dbraw/zinc/23/03/17/257230317.db2.gz LADMYNDPOQUVEB-UHFFFAOYSA-N 0 0 324.311 3.511 40 0 DHABRN Cc1nc(=N)c(CSc2ccc(Cl)c(Cl)c2)cn1C ZINC000408526108 257230387 /nfs/dbraw/zinc/23/03/87/257230387.db2.gz DEVXGSRYQUEAKP-UHFFFAOYSA-N 0 0 314.241 3.807 40 0 DHABRN CC(C)COCc1c(Br)cnn1C1CCCC1 ZINC000408716947 257215504 /nfs/dbraw/zinc/21/55/04/257215504.db2.gz TUMGBGWABNHEFA-UHFFFAOYSA-N 0 0 301.228 3.933 40 0 DHABRN CCCOCc1nn(CCC(F)(F)F)cc1Br ZINC000408716619 257215764 /nfs/dbraw/zinc/21/57/64/257215764.db2.gz OXNXYKBOPQWPCE-UHFFFAOYSA-N 0 0 315.133 3.525 40 0 DHABRN CC(=O)C1C[C@@H]2[C@@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O ZINC000390822407 257261017 /nfs/dbraw/zinc/26/10/17/257261017.db2.gz TUGDEWADZKLGJL-WIFSAFJESA-N 0 0 322.408 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ZINC000222896262 563729344 /nfs/dbraw/zinc/72/93/44/563729344.db2.gz WOMYLOSZRGFGAT-UHFFFAOYSA-N 0 0 311.425 3.684 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(Cl)cc1F ZINC000223088320 563730423 /nfs/dbraw/zinc/73/04/23/563730423.db2.gz RMWDDRZQPIXCKO-LLVKDONJSA-N 0 0 321.779 3.908 40 0 DHABRN CC[C@H](C(=O)OC)N1c2cc(OC)ccc2C(C)=CC1(C)C ZINC000223199491 563731873 /nfs/dbraw/zinc/73/18/73/563731873.db2.gz IITVVCBXJRILHY-OAHLLOKOSA-N 0 0 303.402 3.649 40 0 DHABRN COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C ZINC000223249694 563732875 /nfs/dbraw/zinc/73/28/75/563732875.db2.gz LXCUTDSAKIARGO-HNNXBMFYSA-N 0 0 323.436 3.912 40 0 DHABRN Cc1ccc(OCCNC(=O)/C=C/c2ccc(F)cc2)cc1C ZINC000223378910 563733390 /nfs/dbraw/zinc/73/33/90/563733390.db2.gz RHKPVMASNIXRON-UXBLZVDNSA-N 0 0 313.372 3.651 40 0 DHABRN Cc1ccc(OCCNC(=S)Nc2ccccc2)cc1C ZINC000223381147 563733402 /nfs/dbraw/zinc/73/34/02/563733402.db2.gz OUIYVCVIKIJVRD-UHFFFAOYSA-N 0 0 300.427 3.669 40 0 DHABRN Cc1ccn2cc(C(=O)N(Cc3ccccc3)C(C)C)nc2c1 ZINC000026491850 563733829 /nfs/dbraw/zinc/73/38/29/563733829.db2.gz DELCJEAVBJKAPU-UHFFFAOYSA-N 0 0 307.397 3.694 40 0 DHABRN COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1Cl ZINC000223668425 563735099 /nfs/dbraw/zinc/73/50/99/563735099.db2.gz JKTNLDRXDKJNBM-LLVKDONJSA-N 0 0 301.773 3.940 40 0 DHABRN Cc1ccc(COC(=O)c2snnc2-c2cccs2)cc1 ZINC000223847217 563737293 /nfs/dbraw/zinc/73/72/93/563737293.db2.gz VZEKYIXVKFEAFC-UHFFFAOYSA-N 0 0 316.407 3.932 40 0 DHABRN Cc1ccc(C)c(OCCNC(=S)Nc2ccccc2)c1 ZINC000223977276 563738410 /nfs/dbraw/zinc/73/84/10/563738410.db2.gz JDZXMYNSAPWTIM-UHFFFAOYSA-N 0 0 300.427 3.669 40 0 DHABRN O=C(Cc1cccc(Cl)c1)NCCSc1ccccc1 ZINC000223959434 563738658 /nfs/dbraw/zinc/73/86/58/563738658.db2.gz QZKBWGOCZOWRHG-UHFFFAOYSA-N 0 0 305.830 3.791 40 0 DHABRN CCc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000224037694 563738717 /nfs/dbraw/zinc/73/87/17/563738717.db2.gz KKJUPVFKOASWNU-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN Cc1cccc(OCCNC(=O)c2cc3ccccc3o2)c1C ZINC000223951637 563738733 /nfs/dbraw/zinc/73/87/33/563738733.db2.gz HDMWGLWDFVKCDT-UHFFFAOYSA-N 0 0 309.365 3.858 40 0 DHABRN CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2)c1 ZINC000224082976 563739086 /nfs/dbraw/zinc/73/90/86/563739086.db2.gz UXCRSCVHAHNIFM-CQSZACIVSA-N 0 0 313.397 3.803 40 0 DHABRN S=C(Nc1ccc(N2CCCC2)nc1)NC1CCCCCC1 ZINC000224041593 563739439 /nfs/dbraw/zinc/73/94/39/563739439.db2.gz WWKSXAPKINDBKI-UHFFFAOYSA-N 0 0 318.490 3.691 40 0 DHABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCCCCC1 ZINC000224178300 563739840 /nfs/dbraw/zinc/73/98/40/563739840.db2.gz KMNKDVHWYOXMRG-HNNXBMFYSA-N 0 0 301.430 3.735 40 0 DHABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccccc1 ZINC000224153721 563740058 /nfs/dbraw/zinc/74/00/58/563740058.db2.gz ARZMFJYOTVDJAS-SJORKVTESA-N 0 0 320.421 3.587 40 0 DHABRN COc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)cc1C ZINC000224255832 563740382 /nfs/dbraw/zinc/74/03/82/563740382.db2.gz IKRPQCVBVGYBAP-HNNXBMFYSA-N 0 0 313.397 3.509 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000224413316 563741295 /nfs/dbraw/zinc/74/12/95/563741295.db2.gz ICYJMLPBNWNXLE-AWEZNQCLSA-N 0 0 317.816 3.775 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCC1CCCCC1 ZINC000224465467 563741990 /nfs/dbraw/zinc/74/19/90/563741990.db2.gz XGIJUNHNXSJBAF-QGZVFWFLSA-N 0 0 305.418 3.549 40 0 DHABRN COc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)cc1C ZINC000224607734 563743433 /nfs/dbraw/zinc/74/34/33/563743433.db2.gz BOMWMWSFGVYGCQ-CYBMUJFWSA-N 0 0 301.361 3.563 40 0 DHABRN COCc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 ZINC000224608250 563743466 /nfs/dbraw/zinc/74/34/66/563743466.db2.gz XNQNSYIODLLVLB-HNNXBMFYSA-N 0 0 313.397 3.856 40 0 DHABRN CCOc1ccc(-c2cnc(CCC(=O)N[C@H](C)CC)o2)cc1 ZINC000224855017 563744874 /nfs/dbraw/zinc/74/48/74/563744874.db2.gz BKKBKINVCPGJOD-CYBMUJFWSA-N 0 0 316.401 3.588 40 0 DHABRN CCCCCNC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC000224853818 563745009 /nfs/dbraw/zinc/74/50/09/563745009.db2.gz DBHOBWFXJDHPSB-UHFFFAOYSA-N 0 0 316.401 3.589 40 0 DHABRN CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 ZINC000224905815 563745024 /nfs/dbraw/zinc/74/50/24/563745024.db2.gz ZWVXKUNHRNHDCB-UHFFFAOYSA-N 0 0 322.364 3.767 40 0 DHABRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000224907810 563745041 /nfs/dbraw/zinc/74/50/41/563745041.db2.gz OCMBTZIGXSNANE-UHFFFAOYSA-N 0 0 313.781 3.694 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2cccc(F)c2)c(C)c1 ZINC000224957959 563745506 /nfs/dbraw/zinc/74/55/06/563745506.db2.gz FDDYDXJGCKYVIP-UHFFFAOYSA-N 0 0 301.317 3.563 40 0 DHABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000224984557 563745517 /nfs/dbraw/zinc/74/55/17/563745517.db2.gz INKFAWUQYFMUAP-YWPYICTPSA-N 0 0 307.821 3.802 40 0 DHABRN COCc1cccc(NC(=O)CCc2nc3cc(C)ccc3o2)c1 ZINC000224947735 563745684 /nfs/dbraw/zinc/74/56/84/563745684.db2.gz GGRJEGDIHPAMOT-UHFFFAOYSA-N 0 0 324.380 3.854 40 0 DHABRN C[C@H](CNC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000225134241 563749217 /nfs/dbraw/zinc/74/92/17/563749217.db2.gz ZLRNAPJBLUCHHZ-MRXNPFEDSA-N 0 0 323.436 3.864 40 0 DHABRN CCN(c1cccc(Cl)c1C)S(=O)(=O)c1cccs1 ZINC000225131466 563749279 /nfs/dbraw/zinc/74/92/79/563749279.db2.gz OONALYYYUCGTAJ-UHFFFAOYSA-N 0 0 315.847 3.925 40 0 DHABRN CCOC(=O)c1cc(NC(=S)NC(C)(C)C)ccc1Cl ZINC000225275041 563751306 /nfs/dbraw/zinc/75/13/06/563751306.db2.gz XQNWVEJWTARZKT-UHFFFAOYSA-N 0 0 314.838 3.602 40 0 DHABRN CCOC(=O)c1cccc(NC(=S)NC2CCCCC2)c1C ZINC000225278905 563751369 /nfs/dbraw/zinc/75/13/69/563751369.db2.gz BQXUMCYKEYWWTK-UHFFFAOYSA-N 0 0 320.458 3.791 40 0 DHABRN CC(C)Oc1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000225324092 563752036 /nfs/dbraw/zinc/75/20/36/563752036.db2.gz BLKFJZSTOWRFQX-WOSRLPQWSA-N 0 0 304.459 3.949 40 0 DHABRN CCC[C@@H](C)NC(=S)Nc1ccc(C(=O)OCC)cc1C ZINC000225383119 563753254 /nfs/dbraw/zinc/75/32/54/563753254.db2.gz RCLYZCGVNZYESA-GFCCVEGCSA-N 0 0 308.447 3.647 40 0 DHABRN CCC[C@H](C)NC(=S)Nc1cccc(C(=O)OCC)c1C ZINC000225382997 563753335 /nfs/dbraw/zinc/75/33/35/563753335.db2.gz JRZPRLRWXMKSKL-NSHDSACASA-N 0 0 308.447 3.647 40 0 DHABRN Cc1cccc(Nc2ccc(C(=O)N3CCCC3)cc2N)c1C ZINC000225418149 563754619 /nfs/dbraw/zinc/75/46/19/563754619.db2.gz RJWZFNWWUNXTKZ-UHFFFAOYSA-N 0 0 309.413 3.865 40 0 DHABRN CCOc1ccc(CNC(=S)Nc2ccc(OC)cc2)cc1 ZINC000225429594 563754673 /nfs/dbraw/zinc/75/46/73/563754673.db2.gz PHDBOEOYCDKOJR-UHFFFAOYSA-N 0 0 316.426 3.581 40 0 DHABRN CCOc1ccc(CNC(=S)Nc2c(F)cccc2F)cc1 ZINC000225430994 563755316 /nfs/dbraw/zinc/75/53/16/563755316.db2.gz PGRXRYFWYSFJRS-UHFFFAOYSA-N 0 0 322.380 3.850 40 0 DHABRN CCOc1cccc(CNC(=S)Nc2ccc(F)cc2)c1 ZINC000225438837 563755432 /nfs/dbraw/zinc/75/54/32/563755432.db2.gz IVBGGRAJBIYCST-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN CC[C@H](NC(=S)Nc1ccncc1)c1ccc(OC)cc1 ZINC000225491220 563757426 /nfs/dbraw/zinc/75/74/26/563757426.db2.gz IKANASRMQPWSPA-HNNXBMFYSA-N 0 0 301.415 3.528 40 0 DHABRN CCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCCCC1 ZINC000225710126 563760679 /nfs/dbraw/zinc/76/06/79/563760679.db2.gz AKTRZEBPWMGQRK-UHFFFAOYSA-N 0 0 305.418 3.990 40 0 DHABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1ccccc1 ZINC000225860396 563765201 /nfs/dbraw/zinc/76/52/01/563765201.db2.gz GMDOQJKKVWUHDF-MRXNPFEDSA-N 0 0 323.436 3.991 40 0 DHABRN COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)n1 ZINC000225859311 563765203 /nfs/dbraw/zinc/76/52/03/563765203.db2.gz TXDNIZPQOVOXAV-UHFFFAOYSA-N 0 0 310.397 3.849 40 0 DHABRN Cc1occc1C(=O)N1c2ccc(Br)cc2C[C@@H]1C ZINC000225868402 563765232 /nfs/dbraw/zinc/76/52/32/563765232.db2.gz FSAPNQHWDBIALG-VIFPVBQESA-N 0 0 320.186 3.942 40 0 DHABRN CCCOc1ccc(NC(=O)[C@](C)(CC)OC)c2cccnc12 ZINC000225882694 563765831 /nfs/dbraw/zinc/76/58/31/563765831.db2.gz BNMJCWMDHJNQMC-SFHVURJKSA-N 0 0 316.401 3.777 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cn1 ZINC000225889098 563766580 /nfs/dbraw/zinc/76/65/80/563766580.db2.gz MIKQXRSLESVUEV-KSSFIOAISA-N 0 0 320.433 3.794 40 0 DHABRN CCCCOc1ccc(NC(=O)C2(OC)CCCCC2)c(C)n1 ZINC000225888078 563766622 /nfs/dbraw/zinc/76/66/22/563766622.db2.gz JBZSRMIJULVTTD-UHFFFAOYSA-N 0 0 320.433 3.857 40 0 DHABRN CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c(C)n1 ZINC000225900244 563767110 /nfs/dbraw/zinc/76/71/10/563767110.db2.gz ZBSBKBCTQSHWHH-FZKQIMNGSA-N 0 0 320.433 3.713 40 0 DHABRN CCCO[C@](C)(CC(C)C)C(=O)Nc1cnc(OCC)c(C)c1 ZINC000225904926 563767160 /nfs/dbraw/zinc/76/71/60/563767160.db2.gz JLCNRTBXQKBHCT-GOSISDBHSA-N 0 0 322.449 3.959 40 0 DHABRN CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cn1 ZINC000225899939 563767169 /nfs/dbraw/zinc/76/71/69/563767169.db2.gz CFXVBFSXKUWWLO-KDOFPFPSSA-N 0 0 320.433 3.794 40 0 DHABRN COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1OC ZINC000225940464 563767520 /nfs/dbraw/zinc/76/75/20/563767520.db2.gz AIQCIUCBHCRELX-UHFFFAOYSA-N 0 0 311.381 3.683 40 0 DHABRN COc1cc(C)c(NC(=O)C(C)(C)Sc2ccccc2)cn1 ZINC000225960228 563767696 /nfs/dbraw/zinc/76/76/96/563767696.db2.gz WWCJMWBMGNXQLN-UHFFFAOYSA-N 0 0 316.426 3.908 40 0 DHABRN CCOC(=O)COc1ccc(NC(=O)C2(C)CCCCC2)cc1 ZINC000225945775 563767910 /nfs/dbraw/zinc/76/79/10/563767910.db2.gz RUCYVWMYFZNLEH-UHFFFAOYSA-N 0 0 319.401 3.537 40 0 DHABRN Cc1ccc2oc(=O)c(C(=O)Nc3cc(C)ccc3C)cc2c1 ZINC000226036348 563768327 /nfs/dbraw/zinc/76/83/27/563768327.db2.gz UEVPPHKATJVICW-UHFFFAOYSA-N 0 0 307.349 3.971 40 0 DHABRN Cc1cc(C)cc(NC(=O)c2cc3cccc(C)c3oc2=O)c1 ZINC000226034476 563768394 /nfs/dbraw/zinc/76/83/94/563768394.db2.gz PXBVMZREABPDLH-UHFFFAOYSA-N 0 0 307.349 3.971 40 0 DHABRN COCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000059484650 563771724 /nfs/dbraw/zinc/77/17/24/563771724.db2.gz HVBLEJGELUEJLB-UHFFFAOYSA-N 0 0 314.429 3.923 40 0 DHABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)[nH]3)N21 ZINC000260766243 563781091 /nfs/dbraw/zinc/78/10/91/563781091.db2.gz JKVNMSSMJDLQJL-KCXAZCMYSA-N 0 0 312.442 3.698 40 0 DHABRN Cc1nccc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257202744 563789738 /nfs/dbraw/zinc/78/97/38/563789738.db2.gz ANFKGANZZYXKSZ-SFHVURJKSA-N 0 0 319.412 3.512 40 0 DHABRN Cc1nccc([C@H]2CCCN2C(=O)c2ccc(F)c(Cl)c2)n1 ZINC000257212469 563790387 /nfs/dbraw/zinc/79/03/87/563790387.db2.gz CDNYXBRVYUDHHA-OAHLLOKOSA-N 0 0 319.767 3.555 40 0 DHABRN CCCCc1nc(CN2CCCC[C@@H]2c2n[nH]cc2C)c[nH]1 ZINC000257213515 563790729 /nfs/dbraw/zinc/79/07/29/563790729.db2.gz CHWIBIMSLGNOJJ-OAHLLOKOSA-N 0 0 301.438 3.511 40 0 DHABRN CC(C)C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257213001 563791072 /nfs/dbraw/zinc/79/10/72/563791072.db2.gz CFTXNVWIKXNWMZ-MRXNPFEDSA-N 0 0 316.376 3.724 40 0 DHABRN Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)n1 ZINC000257230990 563791312 /nfs/dbraw/zinc/79/13/12/563791312.db2.gz GESRSBRIGNRDNY-QGZVFWFLSA-N 0 0 322.412 3.794 40 0 DHABRN CC(C)C(=O)CCC1=CCN(C(=O)OCc2ccccc2)CC1 ZINC000257232586 563791609 /nfs/dbraw/zinc/79/16/09/563791609.db2.gz GLNLQNRHRUZQKF-UHFFFAOYSA-N 0 0 315.413 3.961 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](Cc2ccnc(Cl)c2)C1 ZINC000257230004 563791821 /nfs/dbraw/zinc/79/18/21/563791821.db2.gz GAHYRNWKYZORGC-ZDUSSCGKSA-N 0 0 310.825 3.925 40 0 DHABRN Cc1ccc([C@H]2C[C@@H](NC(=O)C(C)C)[C@@H]3CCC[C@H]3O2)cc1 ZINC000257266428 563792412 /nfs/dbraw/zinc/79/24/12/563792412.db2.gz MCZGVEIWIHFWPG-BSDSXHPESA-N 0 0 301.430 3.766 40 0 DHABRN CC[C@@H](C)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)n1 ZINC000329063788 563833646 /nfs/dbraw/zinc/83/36/46/563833646.db2.gz XEYGQRKPPZUYPA-LLVKDONJSA-N 0 0 316.836 3.805 40 0 DHABRN CC[C@@H](C)Nc1nc(Nc2c(C)cccc2C)cc(C2CC2)n1 ZINC000329065476 563834292 /nfs/dbraw/zinc/83/42/92/563834292.db2.gz XSCGGCJJXHKGCO-CQSZACIVSA-N 0 0 310.445 3.769 40 0 DHABRN CCNc1nc(Nc2cc(C)cc(C)c2)cc(-c2ccccc2)n1 ZINC000329071956 563834630 /nfs/dbraw/zinc/83/46/30/563834630.db2.gz ZUAIOMDLTFSFQH-UHFFFAOYSA-N 0 0 318.424 3.780 40 0 DHABRN Cc1cccc(C)c1OCCCn1c(C=O)nc2ccccc21 ZINC000011735043 563835774 /nfs/dbraw/zinc/83/57/74/563835774.db2.gz OBANWHRXKPYAHQ-UHFFFAOYSA-N 0 0 308.381 3.935 40 0 DHABRN CCc1ccc(CCC(=O)Nc2cccc(C(=O)OC)c2)cc1 ZINC000010332383 563836662 /nfs/dbraw/zinc/83/66/62/563836662.db2.gz IPGFVYLMKVBNSK-UHFFFAOYSA-N 0 0 311.381 3.607 40 0 DHABRN CC(=O)OC1=CCc2ccc3c4c(ccc1c24)C=C[C@@H]3OC(C)=O ZINC000005234591 563840607 /nfs/dbraw/zinc/84/06/07/563840607.db2.gz WDIYXXIAMYDYHZ-KRWDZBQOSA-N 0 0 320.344 3.931 40 0 DHABRN Cc1cc(N)cc2nc(CCc3nc4cc(N)cc(C)c4o3)oc21 ZINC000216740808 563851413 /nfs/dbraw/zinc/85/14/13/563851413.db2.gz LITCUUNHOFNSML-UHFFFAOYSA-N 0 0 322.368 3.535 40 0 DHABRN Cc1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000000571728 563854344 /nfs/dbraw/zinc/85/43/44/563854344.db2.gz QEQKJYMKJVWEOR-UHFFFAOYSA-N 0 0 303.427 3.578 40 0 DHABRN Cc1cccc(CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000000571752 563854400 /nfs/dbraw/zinc/85/44/00/563854400.db2.gz IWUHDSDDEMUSRS-UHFFFAOYSA-N 0 0 303.427 3.578 40 0 DHABRN Cc1cccc(C)c1N(Cc1ccccc1Cl)S(C)(=O)=O ZINC000000582612 563854412 /nfs/dbraw/zinc/85/44/12/563854412.db2.gz SQTMPQYXRBCZIU-UHFFFAOYSA-N 0 0 323.845 3.923 40 0 DHABRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C)c(C)c1 ZINC000000574310 563854437 /nfs/dbraw/zinc/85/44/37/563854437.db2.gz DJKNGTCLKPWISU-ZHACJKMWSA-N 0 0 311.381 3.973 40 0 DHABRN NC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000216815003 563855256 /nfs/dbraw/zinc/85/52/56/563855256.db2.gz SHRUYKODYQRNFV-UHFFFAOYSA-N 0 0 314.143 3.810 40 0 DHABRN COC(=O)c1ccc(OC)c(OCc2ccc(F)cc2Cl)c1 ZINC000216804529 563855622 /nfs/dbraw/zinc/85/56/22/563855622.db2.gz RTVPHTGPSWZRNU-UHFFFAOYSA-N 0 0 324.735 3.853 40 0 DHABRN COc1ccc(Cl)cc1C(=O)n1cc(C=O)c2ccccc21 ZINC000216955840 563859647 /nfs/dbraw/zinc/85/96/47/563859647.db2.gz WJMNGWREXHSUAZ-UHFFFAOYSA-N 0 0 313.740 3.804 40 0 DHABRN O=C(OCc1ccccc1)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000089220451 563859747 /nfs/dbraw/zinc/85/97/47/563859747.db2.gz DLEUYEPFFNLJCI-SFHVURJKSA-N 0 0 309.365 3.729 40 0 DHABRN COc1ccccc1C1N=NC(=S)N1c1ccc(C)cc1C ZINC000013533883 563877501 /nfs/dbraw/zinc/87/75/01/563877501.db2.gz QKGOBPRRZNROTK-UHFFFAOYSA-N 0 0 311.410 3.848 40 0 DHABRN CCCc1nnc(NC(=O)CCCOc2ccccc2C)s1 ZINC000001903407 563883442 /nfs/dbraw/zinc/88/34/42/563883442.db2.gz FIMJGYZUSCWJKN-UHFFFAOYSA-N 0 0 319.430 3.597 40 0 DHABRN CC1CCN(c2c(N)cc(Cl)c(N)c2Br)CC1 ZINC000045891332 563888360 /nfs/dbraw/zinc/88/83/60/563888360.db2.gz HNHREKRFFSIKDP-UHFFFAOYSA-N 0 0 318.646 3.503 40 0 DHABRN CC(C)C(=O)Nc1cc(Cl)c2nc(N)sc2c1Cl ZINC000045891508 563888499 /nfs/dbraw/zinc/88/84/99/563888499.db2.gz RRIFTSYIJAVAJY-UHFFFAOYSA-N 0 0 304.202 3.780 40 0 DHABRN COC(=O)Cc1ccccc1-c1nc2ccc(F)cc2s1 ZINC000045923272 563889033 /nfs/dbraw/zinc/88/90/33/563889033.db2.gz JHXDXUDRBLNBJO-UHFFFAOYSA-N 0 0 301.342 3.818 40 0 DHABRN COc1ccc(C(=O)CCc2ccc(F)c(F)c2)cc1OC ZINC000228977146 563914672 /nfs/dbraw/zinc/91/46/72/563914672.db2.gz UBJTUZCRWCLGMT-UHFFFAOYSA-N 0 0 306.308 3.798 40 0 DHABRN CCOC(=O)c1cc(N)ccc1Nc1ccccc1OCC ZINC000225478988 563914804 /nfs/dbraw/zinc/91/48/04/563914804.db2.gz AHFCKNUTWIWAPI-UHFFFAOYSA-N 0 0 300.358 3.588 40 0 DHABRN Cc1ccc(F)cc1NC(=O)COC(=O)c1ccccc1Cl ZINC000003507092 563921124 /nfs/dbraw/zinc/92/11/24/563921124.db2.gz CDDSDRJQBKLBGC-UHFFFAOYSA-N 0 0 321.735 3.583 40 0 DHABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(F)cc1 ZINC000006205979 563921325 /nfs/dbraw/zinc/92/13/25/563921325.db2.gz CLESWPFSJMUTTO-AWEZNQCLSA-N 0 0 318.373 3.594 40 0 DHABRN CS(=O)(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 ZINC000006362137 563921420 /nfs/dbraw/zinc/92/14/20/563921420.db2.gz FAKDBOTZVUTCHZ-UHFFFAOYSA-N 0 0 305.443 3.598 40 0 DHABRN CCN1C(=O)S/C(=C\c2c(C)n(C)c3ccccc23)C1=O ZINC000006325680 563921512 /nfs/dbraw/zinc/92/15/12/563921512.db2.gz VTPUMIHTOLZYNT-ZROIWOOFSA-N 0 0 300.383 3.543 40 0 DHABRN Cc1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000033655475 563922935 /nfs/dbraw/zinc/92/29/35/563922935.db2.gz MFNIBDUFHAUNNG-UHFFFAOYSA-N 0 0 303.427 3.578 40 0 DHABRN COc1c2occ(COC(C)=O)c2c(C=O)c2c(C)cccc12 ZINC000013299903 563929361 /nfs/dbraw/zinc/92/93/61/563929361.db2.gz OMGQCYHSAPWXMS-UHFFFAOYSA-N 0 0 312.321 3.779 40 0 biogenic,in-vitro DHABRN CC(C)=C[C@@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000013374352 563929470 /nfs/dbraw/zinc/92/94/70/563929470.db2.gz VNADFOGBKXRWGC-FCONWMNKSA-N 0 0 314.381 3.835 40 0 biogenic,in-vivo DHABRN Clc1ccc(Nc2cc(C3CC3)nc(NC3CC3)n2)cc1 ZINC000329040215 563960522 /nfs/dbraw/zinc/96/05/22/563960522.db2.gz SBLJUGOLRFICHP-UHFFFAOYSA-N 0 0 300.793 4.325 40 0 DHABRN COc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000013631911 568412575 /nfs/dbraw/zinc/41/25/75/568412575.db2.gz WBEMJZPAGOVDHR-UHFFFAOYSA-N 0 0 303.789 3.711 40 0 DHABRN CCSc1ccccc1C(=O)NCCOc1ccc(C)cc1 ZINC000025679188 568412823 /nfs/dbraw/zinc/41/28/23/568412823.db2.gz POWQQIQLSXLHPZ-UHFFFAOYSA-N 0 0 315.438 3.916 40 0 DHABRN COc1cccc(CCCNC(=O)Cc2ccccc2Cl)c1 ZINC000066436675 568413411 /nfs/dbraw/zinc/41/34/11/568413411.db2.gz LUCGDEGLXOQUGM-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN Oc1ccc(Oc2ccc(I)cc2)cc1 ZINC000039343934 1014829574 /nfs/dbraw/zinc/82/95/74/1014829574.db2.gz SEUYXXCZJLHQTO-UHFFFAOYSA-N 0 0 312.106 3.789 40 0 DHABRN Cc1s/c(=N\C(=O)c2ccccc2)n(C)c1-c1ccccc1 ZINC000207463641 1019315328 /nfs/dbraw/zinc/31/53/28/1019315328.db2.gz DQRMJDGRNWZMHL-HNENSFHCSA-N 0 0 308.406 3.803 40 0 DHABRN C[C@@H](OC(=O)Oc1ccccc1)[Si](C)(C)c1ccccc1 ZINC000195760897 1019317014 /nfs/dbraw/zinc/31/70/14/1019317014.db2.gz LNPSDOXJCCLFHA-AWEZNQCLSA-N 0 0 300.430 3.745 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@]2(c3ccc(Cl)cc3)O[C@H]2C1 ZINC000114319808 1019491574 /nfs/dbraw/zinc/49/15/74/1019491574.db2.gz IEKJNOVFRINURO-BBRMVZONSA-N 0 0 309.793 3.575 40 0 DHABRN Cc1cc(C=O)cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000256054317 1019707720 /nfs/dbraw/zinc/70/77/20/1019707720.db2.gz VVYHCJPAMJHRBC-UHFFFAOYSA-N 0 0 324.785 3.537 40 0 DHABRN Clc1ccc2ncn(Cc3ccc(Br)cc3)c2n1 ZINC000096311585 1032929917 /nfs/dbraw/zinc/92/99/17/1032929917.db2.gz WVOZWKNMUKVCHA-UHFFFAOYSA-N 0 0 322.593 3.896 40 0 DHABRN CCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc21 ZINC000032234727 1022361176 /nfs/dbraw/zinc/36/11/76/1022361176.db2.gz BTNPNLFCTKLABX-AWEZNQCLSA-N 0 0 320.392 3.512 40 0 DHABRN CC(=O)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 ZINC000053584304 1023060324 /nfs/dbraw/zinc/06/03/24/1023060324.db2.gz ZDVVKAXCZIVAIH-UHFFFAOYSA-N 0 0 306.337 3.976 40 0 DHABRN COc1cc(/C=C\c2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000013340303 1023988561 /nfs/dbraw/zinc/98/85/61/1023988561.db2.gz PTVAOGIYBMTHSN-WAYWQWQTSA-N 0 0 300.354 3.891 40 0 DHABRN COc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000219849373 1024570562 /nfs/dbraw/zinc/57/05/62/1024570562.db2.gz WQAOHMBUHYXYKC-UHFFFAOYSA-N 0 0 324.424 3.859 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1C ZINC000224603245 1024644160 /nfs/dbraw/zinc/64/41/60/1024644160.db2.gz SRCNCQXADFOVRM-HNNXBMFYSA-N 0 0 315.388 3.569 40 0 DHABRN Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224701090 1024648984 /nfs/dbraw/zinc/64/89/84/1024648984.db2.gz CTCROKQCSSOMGW-UHFFFAOYSA-N 0 0 309.818 3.782 40 0 DHABRN Cc1ccc(CN(C)C(=O)Cc2ccc(Cl)cc2F)cc1 ZINC000224702814 1024649161 /nfs/dbraw/zinc/64/91/61/1024649161.db2.gz WWVBKJHUMQWYCM-UHFFFAOYSA-N 0 0 305.780 3.989 40 0 DHABRN CC(C)(C)OC(=O)Nc1c(C=O)cccc1OC(F)(F)F ZINC000199832200 1035628509 /nfs/dbraw/zinc/62/85/09/1035628509.db2.gz POTWCWZJOGTHLO-UHFFFAOYSA-N 0 0 305.252 3.745 40 0 DHABRN O=C(CCc1c(Cl)cccc1Cl)NCc1cccnc1 ZINC000225347794 201696596 /nfs/dbraw/zinc/69/65/96/201696596.db2.gz ALUQXPRPLRGPEA-UHFFFAOYSA-N 0 0 309.196 3.637 40 0 DHABRN COc1cccc([C@H](O)c2ccc3c(c2)OCC(C)(C)CO3)c1 ZINC000225357052 201697353 /nfs/dbraw/zinc/69/73/53/201697353.db2.gz NOROUHZBORNQLP-SFHVURJKSA-N 0 0 314.381 3.574 40 0 DHABRN Cc1ccc(S[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 ZINC000079440770 185171802 /nfs/dbraw/zinc/17/18/02/185171802.db2.gz AMOUEFZHKUELOS-CYBMUJFWSA-N 0 0 308.447 3.882 40 0 DHABRN Cc1ccccc1CSCCNC(=O)Cc1ccccc1F ZINC000225445151 201709795 /nfs/dbraw/zinc/70/97/95/201709795.db2.gz MPSUDVCMVAAWNO-UHFFFAOYSA-N 0 0 317.429 3.726 40 0 DHABRN CC[C@@H](NC(=O)Cc1ccccc1F)c1ccc(OC)c(C)c1 ZINC000225452461 201711482 /nfs/dbraw/zinc/71/14/82/201711482.db2.gz WBQCNQYSVGYPCU-QGZVFWFLSA-N 0 0 315.388 3.953 40 0 DHABRN Cc1cccc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)c1C ZINC000329072410 231434835 /nfs/dbraw/zinc/43/48/35/231434835.db2.gz ZXTXRUNAARAKRD-UHFFFAOYSA-N 0 0 322.456 3.913 40 0 DHABRN Cc1noc(C)c1C[C@@H](C)NC(=O)c1c(C)cc(C)cc1C ZINC000090602633 185305989 /nfs/dbraw/zinc/30/59/89/185305989.db2.gz FYLCPSVRZQKCAG-CYBMUJFWSA-N 0 0 300.402 3.578 40 0 DHABRN Cc1cccc(N2C(=O)S/C(=C/c3cccn3C)C2=O)c1C ZINC000005552678 190622013 /nfs/dbraw/zinc/62/20/13/190622013.db2.gz JXMMPGOHDUPOBP-XNTDXEJSSA-N 0 0 312.394 3.883 40 0 DHABRN Cc1cccc(CSCCNC(=O)NC2CCCCC2)c1 ZINC000225754614 201741287 /nfs/dbraw/zinc/74/12/87/201741287.db2.gz JPORIJMNFFZCGF-UHFFFAOYSA-N 0 0 306.475 3.860 40 0 DHABRN CC(C)CCNC(=O)c1snnc1-c1ccc(Cl)cc1 ZINC000225771630 201744544 /nfs/dbraw/zinc/74/45/44/201744544.db2.gz YBUIYIOPIAOCIK-UHFFFAOYSA-N 0 0 309.822 3.634 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cn1 ZINC000225903514 201760658 /nfs/dbraw/zinc/76/06/58/201760658.db2.gz JUQBXDWJPLRPNW-QGZVFWFLSA-N 0 0 308.422 3.794 40 0 DHABRN CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12 ZINC000225895514 201760882 /nfs/dbraw/zinc/76/08/82/201760882.db2.gz DPGNVOCSKINHQG-SFHVURJKSA-N 0 0 316.401 3.777 40 0 DHABRN CCCOc1ncc(NC(=O)C2(OCCC)CCCC2)cc1C ZINC000225909229 201762441 /nfs/dbraw/zinc/76/24/41/201762441.db2.gz RIUCKXOSDXJXRZ-UHFFFAOYSA-N 0 0 320.433 3.857 40 0 DHABRN OCc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000107708229 185490141 /nfs/dbraw/zinc/49/01/41/185490141.db2.gz YIPPMYDFWNLIRA-UHFFFAOYSA-N 0 0 304.143 3.750 40 0 DHABRN Cc1cc(C)c(NC(=O)c2cccc(Br)c2)c(N)c1 ZINC000070462822 190899580 /nfs/dbraw/zinc/89/95/80/190899580.db2.gz OTZGVCLPHHYVKQ-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN Cc1nc2c(nccc2C(=O)Nc2c(Cl)cccc2Cl)[nH]1 ZINC000080443364 192157734 /nfs/dbraw/zinc/15/77/34/192157734.db2.gz OCIAVIIFEPXIIR-UHFFFAOYSA-N 0 0 321.167 3.825 40 0 DHABRN COc1cccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)c1 ZINC000072229457 191077448 /nfs/dbraw/zinc/07/74/48/191077448.db2.gz ZDDSYHFLLYSCBD-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225593696 186280841 /nfs/dbraw/zinc/28/08/41/186280841.db2.gz WOIYRANNPQVAPA-JTQLQIEISA-N 0 0 314.223 3.976 40 0 DHABRN COc1ccc(CC(=O)N[C@@H]2CCCc3ccccc32)cc1C ZINC000225604602 186282236 /nfs/dbraw/zinc/28/22/36/186282236.db2.gz WPTSFVOWIFBFAT-GOSISDBHSA-N 0 0 309.409 3.740 40 0 DHABRN CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(C)cc1 ZINC000225605143 186282897 /nfs/dbraw/zinc/28/28/97/186282897.db2.gz BQMLFJNDMOKSEA-QGZVFWFLSA-N 0 0 321.417 3.872 40 0 DHABRN COc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1Cl ZINC000225641925 186286035 /nfs/dbraw/zinc/28/60/35/186286035.db2.gz XLZBGXIYFLVAGT-UHFFFAOYSA-N 0 0 311.809 3.882 40 0 DHABRN CCc1cccc2cc3c(nc21)OC(=O)N(Cc1ccco1)C3 ZINC000072396346 191148977 /nfs/dbraw/zinc/14/89/77/191148977.db2.gz UMOKQAJQMSZDIG-UHFFFAOYSA-N 0 0 308.337 3.905 40 0 DHABRN CC(C)Oc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000041894 180675394 /nfs/dbraw/zinc/67/53/94/180675394.db2.gz WIWGSBALHLKTPN-UHFFFAOYSA-N 0 0 310.802 3.960 40 0 DHABRN Cc1ccc(SC[C@H]2CSc3c4ncnc-4ncn32)cc1 ZINC000072414673 191156124 /nfs/dbraw/zinc/15/61/24/191156124.db2.gz VDGUIMHGKNIOQI-NSHDSACASA-N 0 0 314.439 3.525 40 0 DHABRN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CNc1ccccc1 ZINC000000482153 180804633 /nfs/dbraw/zinc/80/46/33/180804633.db2.gz BFBXSTRUYGNONL-UHFFFAOYSA-N 0 0 321.163 3.659 40 0 DHABRN COc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000000800748 180833632 /nfs/dbraw/zinc/83/36/32/180833632.db2.gz FBVRZCCTQRWBLW-UHFFFAOYSA-N 0 0 311.381 3.510 40 0 DHABRN CC(C)N(C(=O)NC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000938253 180838171 /nfs/dbraw/zinc/83/81/71/180838171.db2.gz YJBDAUQLUBSWLL-UHFFFAOYSA-N 0 0 300.333 3.591 40 0 DHABRN CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cn2)nc1C ZINC000001035797 180842134 /nfs/dbraw/zinc/84/21/34/180842134.db2.gz AWWOISQGZUJOIW-UHFFFAOYSA-N 0 0 316.304 3.709 40 0 DHABRN CC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2ccc3c(c2C1=O)CCC3 ZINC000001646111 180883250 /nfs/dbraw/zinc/88/32/50/180883250.db2.gz BAVJVRKSDTYFEZ-JOCHJYFZSA-N 0 0 316.400 3.902 40 0 DHABRN COP(=O)(OC)O/C(C)=C/C(=O)O[C@H](C)c1ccccc1 ZINC000002036837 180907543 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3.956 40 0 DHABRN O=C1C[C@H](c2cccs2)Cc2c1cnn2-c1ccccc1F ZINC000017032451 182070066 /nfs/dbraw/zinc/07/00/66/182070066.db2.gz MCKYNIHCZLWKJD-LLVKDONJSA-N 0 0 312.369 3.986 40 0 DHABRN CCCCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000017322700 182083429 /nfs/dbraw/zinc/08/34/29/182083429.db2.gz RVQCFINFMVWUMN-UHFFFAOYSA-N 0 0 321.808 3.629 40 0 DHABRN O=C(C1CCCCC1)N1CC[C@H](c2nc(C3CCCC3)no2)C1 ZINC000019014670 182103280 /nfs/dbraw/zinc/10/32/80/182103280.db2.gz MPRALBKSKFUGEC-HNNXBMFYSA-N 0 0 317.433 3.623 40 0 DHABRN Cc1ccc(NC(=O)c2ccc(C)c(N)c2)c(Br)c1 ZINC000019281831 182111973 /nfs/dbraw/zinc/11/19/73/182111973.db2.gz NYQGUSVBVBIDNX-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN Cn1ccc([C@@H]2CCCCCN2Cc2ccc(F)c(F)c2)n1 ZINC000019291065 182113357 /nfs/dbraw/zinc/11/33/57/182113357.db2.gz AUJMVCBYNSJNGP-KRWDZBQOSA-N 0 0 305.372 3.816 40 0 DHABRN Cc1nc(N[C@@H](C)c2ccccn2)cc(-c2cc(C(C)C)[nH]n2)n1 ZINC000019655713 182134116 /nfs/dbraw/zinc/13/41/16/182134116.db2.gz OPAWROHATSIXIB-LBPRGKRZSA-N 0 0 322.416 3.867 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000019931391 182166005 /nfs/dbraw/zinc/16/60/05/182166005.db2.gz CASDBOQWGSWSOG-KRWDZBQOSA-N 0 0 315.344 3.824 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000020041622 182183175 /nfs/dbraw/zinc/18/31/75/182183175.db2.gz GPHMUSHGUIBJKG-CQSZACIVSA-N 0 0 311.381 3.858 40 0 DHABRN CCSc1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000020050940 182183965 /nfs/dbraw/zinc/18/39/65/182183965.db2.gz VDAUHBHWBVXWIK-UHFFFAOYSA-N 0 0 307.440 3.908 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2)c1C ZINC000020109048 182187622 /nfs/dbraw/zinc/18/76/22/182187622.db2.gz CTADADOZHHEQEW-UHFFFAOYSA-N 0 0 311.381 3.661 40 0 DHABRN CC(C)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020110603 182187678 /nfs/dbraw/zinc/18/76/78/182187678.db2.gz DTIVWVFYXDZSIO-UHFFFAOYSA-N 0 0 319.426 3.803 40 0 DHABRN Cc1ccc2cc(C)c(SCCN3CCOCC3)nc2c1C ZINC000020151155 182192505 /nfs/dbraw/zinc/19/25/05/182192505.db2.gz CPCIQTGMFQTSLE-UHFFFAOYSA-N 0 0 316.470 3.584 40 0 DHABRN Cc1ccc(C(=O)Nc2ccccc2Br)cc1N ZINC000020195027 182195940 /nfs/dbraw/zinc/19/59/40/182195940.db2.gz PHUSICXDVHMGGE-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN O=C1N[C@H](c2ccc3c4c(cccc42)CC3)Nc2ccccc21 ZINC000020244065 182200346 /nfs/dbraw/zinc/20/03/46/182200346.db2.gz VTKSBEWQVOHRQK-LJQANCHMSA-N 0 0 300.361 3.793 40 0 DHABRN Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)cc1N ZINC000020344370 182209689 /nfs/dbraw/zinc/20/96/89/182209689.db2.gz UHYMCRUJNDNRJS-UHFFFAOYSA-N 0 0 304.777 3.557 40 0 DHABRN Cc1ccc(N)cc1NC(=O)c1ccccc1Br ZINC000020343265 182209774 /nfs/dbraw/zinc/20/97/74/182209774.db2.gz ISYBAULCYXJOCR-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1 ZINC000020481867 182222589 /nfs/dbraw/zinc/22/25/89/182222589.db2.gz KKGMPMDWHONGBB-HNNXBMFYSA-N 0 0 303.789 3.814 40 0 DHABRN CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000020484495 182223319 /nfs/dbraw/zinc/22/33/19/182223319.db2.gz ACMPNAGPDJRRLR-UHFFFAOYSA-N 0 0 318.870 3.513 40 0 DHABRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000020451372 182218698 /nfs/dbraw/zinc/21/86/98/182218698.db2.gz MABYVJCWMNEUKT-CYBMUJFWSA-N 0 0 323.845 3.829 40 0 DHABRN COc1ccc(OC)c(CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000020447898 182218889 /nfs/dbraw/zinc/21/88/89/182218889.db2.gz YLRXCDQPZYWPHG-UHFFFAOYSA-N 0 0 313.397 3.810 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)ccc1OC ZINC000020462386 182220719 /nfs/dbraw/zinc/22/07/19/182220719.db2.gz OCVOVUCKUKARJX-INIZCTEOSA-N 0 0 317.360 3.939 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000020492390 182224308 /nfs/dbraw/zinc/22/43/08/182224308.db2.gz SWTFCSXJZCMEIJ-LLVKDONJSA-N 0 0 305.324 3.933 40 0 DHABRN Nc1ccc2nc(Cc3nc4ccc(N)cc4s3)sc2c1 ZINC000020494053 182224537 /nfs/dbraw/zinc/22/45/37/182224537.db2.gz RFVNCTCAEBOVAA-UHFFFAOYSA-N 0 0 312.423 3.661 40 0 DHABRN C[C@H]1CCc2onc(C(=O)Nc3ccc(F)cc3Cl)c2C1 ZINC000020572130 182234285 /nfs/dbraw/zinc/23/42/85/182234285.db2.gz DMWFLMJBTWPQKK-QMMMGPOBSA-N 0 0 308.740 3.844 40 0 DHABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)NC1CCCCC1 ZINC000020540570 182228841 /nfs/dbraw/zinc/22/88/41/182228841.db2.gz QKOHMMASGGHFEY-QGZVFWFLSA-N 0 0 302.418 3.705 40 0 DHABRN CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000021836469 182294355 /nfs/dbraw/zinc/29/43/55/182294355.db2.gz WTFMPWJUDAXNIX-QGZVFWFLSA-N 0 0 301.361 3.644 40 0 DHABRN OCCSc1ccc(-c2ccc(CO)o2)c(Cl)c1Cl ZINC000022124745 182309504 /nfs/dbraw/zinc/30/95/04/182309504.db2.gz AMTHVJMFHZFXRX-UHFFFAOYSA-N 0 0 319.209 3.830 40 0 DHABRN CC(C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022333599 182318863 /nfs/dbraw/zinc/31/88/63/182318863.db2.gz KBJZRUZFGKDHPK-UHFFFAOYSA-N 0 0 322.452 3.576 40 0 DHABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCCCC1 ZINC000022245389 182315073 /nfs/dbraw/zinc/31/50/73/182315073.db2.gz NOBMGQPVFQENRH-UHFFFAOYSA-N 0 0 315.442 3.846 40 0 DHABRN Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccccc2)cc1C ZINC000022540280 182325945 /nfs/dbraw/zinc/32/59/45/182325945.db2.gz MHJFNUBUEMDRLY-OAHLLOKOSA-N 0 0 303.427 3.651 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(F)cccc1F ZINC000022513967 182324083 /nfs/dbraw/zinc/32/40/83/182324083.db2.gz NNESFLGSTFCVKL-CQSZACIVSA-N 0 0 309.287 3.900 40 0 DHABRN CCCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022523564 182324771 /nfs/dbraw/zinc/32/47/71/182324771.db2.gz ZWEXQFNAZVIPNQ-UHFFFAOYSA-N 0 0 308.425 3.779 40 0 DHABRN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000023636883 182365596 /nfs/dbraw/zinc/36/55/96/182365596.db2.gz GIFRIDUGWWBZLE-GFCCVEGCSA-N 0 0 317.410 3.823 40 0 DHABRN O=C(CCc1ccc2c(c1)OCCO2)NC1CCCCCCC1 ZINC000024615612 182385251 /nfs/dbraw/zinc/38/52/51/182385251.db2.gz GXLGVRWIIYOWDJ-UHFFFAOYSA-N 0 0 317.429 3.620 40 0 DHABRN CCSc1ccccc1C(=O)NCCOc1ccccc1 ZINC000025645694 182418891 /nfs/dbraw/zinc/41/88/91/182418891.db2.gz HZGAYBHTRNVENA-UHFFFAOYSA-N 0 0 301.411 3.607 40 0 DHABRN CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(C)cc2C)n1 ZINC000028237458 182514918 /nfs/dbraw/zinc/51/49/18/182514918.db2.gz KAEAKMFDTXYMIH-LBPRGKRZSA-N 0 0 305.809 3.664 40 0 DHABRN O=C(Cn1c2ccccc2nc1-c1ccccn1)c1ccccc1 ZINC000028539435 182528065 /nfs/dbraw/zinc/52/80/65/182528065.db2.gz HUKYIRBGIHBTTC-UHFFFAOYSA-N 0 0 313.360 3.981 40 0 DHABRN CCc1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O ZINC000101275521 193809540 /nfs/dbraw/zinc/80/95/40/193809540.db2.gz UPVLGXQXLHKHLT-KRWDZBQOSA-N 0 0 322.408 3.610 40 0 DHABRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21 ZINC000101366496 193811977 /nfs/dbraw/zinc/81/19/77/193811977.db2.gz ZXDQTOXNJLYQAL-OJXGSEEGSA-N 0 0 313.784 3.598 40 0 DHABRN Cc1ccc(C)c(OCC2N=NC(=S)N2c2ccccc2)c1 ZINC000038536732 183001609 /nfs/dbraw/zinc/00/16/09/183001609.db2.gz HYRWFPRGIJJMTD-UHFFFAOYSA-N 0 0 311.410 3.752 40 0 DHABRN CSc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 ZINC000038852581 183011174 /nfs/dbraw/zinc/01/11/74/183011174.db2.gz LGYGYHFVEATZRK-UHFFFAOYSA-N 0 0 323.421 3.906 40 0 DHABRN COc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000038835098 183011354 /nfs/dbraw/zinc/01/13/54/183011354.db2.gz FEWJOPKQTSHYGK-UHFFFAOYSA-N 0 0 321.380 3.501 40 0 DHABRN CCCCCCOC(=O)c1cc(Br)ccc1O ZINC000039951680 183022970 /nfs/dbraw/zinc/02/29/70/183022970.db2.gz PYHWRSPSOBAKFS-UHFFFAOYSA-N 0 0 301.180 3.892 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](COc2ccc(F)cc2F)C1 ZINC000039954451 183024244 /nfs/dbraw/zinc/02/42/44/183024244.db2.gz XUZNILUFRQVZJM-LLVKDONJSA-N 0 0 313.344 3.601 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](COc2ccccc2Cl)C1 ZINC000039954498 183024309 /nfs/dbraw/zinc/02/43/09/183024309.db2.gz RBWAEDYQOUUORC-LBPRGKRZSA-N 0 0 311.809 3.976 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](COc2cc(F)ccc2F)C1 ZINC000039954454 183024593 /nfs/dbraw/zinc/02/45/93/183024593.db2.gz GACYFLSURFENBF-NSHDSACASA-N 0 0 313.344 3.601 40 0 DHABRN COc1ccc(C)cc1[C@H](O)c1ccccc1Br ZINC000040264083 183049293 /nfs/dbraw/zinc/04/92/93/183049293.db2.gz XRKYXUNQVWCKIV-OAHLLOKOSA-N 0 0 307.187 3.848 40 0 DHABRN CCOc1ccc([C@H](O)c2cccc(Br)c2)cc1 ZINC000040244582 183049301 /nfs/dbraw/zinc/04/93/01/183049301.db2.gz RLWCDAYMVRGYBZ-HNNXBMFYSA-N 0 0 307.187 3.930 40 0 DHABRN CC(C)OC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 ZINC000040174361 183043793 /nfs/dbraw/zinc/04/37/93/183043793.db2.gz AMSPHDRKCZXNBU-UHFFFAOYSA-N 0 0 321.380 3.564 40 0 DHABRN COc1ccc([C@@H](O)c2ccc(Br)cc2)cc1C ZINC000040262272 183049433 /nfs/dbraw/zinc/04/94/33/183049433.db2.gz HOLUPBGZVKLXRJ-HNNXBMFYSA-N 0 0 307.187 3.848 40 0 DHABRN COc1ccc(OC)c([C@H](O)c2ccccc2Br)c1 ZINC000040244806 183049456 /nfs/dbraw/zinc/04/94/56/183049456.db2.gz OKWRMOAWYHFPMG-OAHLLOKOSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc([C@@H](O)c2ccccc2Br)cc1OC ZINC000040243566 183049133 /nfs/dbraw/zinc/04/91/33/183049133.db2.gz HWOKKPHUCIWPRO-OAHLLOKOSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc(OC)c([C@@H](O)c2ccccc2Br)c1 ZINC000040244807 183049221 /nfs/dbraw/zinc/04/92/21/183049221.db2.gz OKWRMOAWYHFPMG-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN Cc1cc(C)cc(NC(=O)c2ccc(Br)c(N)c2)c1 ZINC000040294489 183052082 /nfs/dbraw/zinc/05/20/82/183052082.db2.gz HDUUBZDOACVWRG-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN NC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000041127485 183169903 /nfs/dbraw/zinc/16/99/03/183169903.db2.gz OHCHWSFPDBMCLK-UHFFFAOYSA-N 0 0 307.136 3.901 40 0 DHABRN O=C(COc1cccc2c1CCCC2)N1CCc2ccccc21 ZINC000041539858 183200173 /nfs/dbraw/zinc/20/01/73/183200173.db2.gz YMXDYNVXRCBCQC-UHFFFAOYSA-N 0 0 307.393 3.534 40 0 DHABRN CC(C)(C)OC(=O)N1Cc2ccc(-c3csc(N)n3)cc2C1 ZINC000044137640 183396316 /nfs/dbraw/zinc/39/63/16/183396316.db2.gz RTQZTNNMDZADHD-UHFFFAOYSA-N 0 0 317.414 3.643 40 0 DHABRN O=C(CCc1ccc(Cl)cc1Cl)NCc1ccncc1 ZINC000044596782 183426434 /nfs/dbraw/zinc/42/64/34/183426434.db2.gz VRXFOZUQAZXMAA-UHFFFAOYSA-N 0 0 309.196 3.637 40 0 DHABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccn1 ZINC000044946658 183463434 /nfs/dbraw/zinc/46/34/34/183463434.db2.gz WKXNAGXCQANVPL-LJQANCHMSA-N 0 0 320.392 3.709 40 0 DHABRN COc1cc2nc(-c3cccc(N)c3)oc2c(Br)c1 ZINC000045920190 183536954 /nfs/dbraw/zinc/53/69/54/183536954.db2.gz SNVSGODYOCAPAS-UHFFFAOYSA-N 0 0 319.158 3.848 40 0 DHABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(N)c1 ZINC000057340355 184033713 /nfs/dbraw/zinc/03/37/13/184033713.db2.gz JODPAQLZCGLPEU-UHFFFAOYSA-N 0 0 304.777 3.718 40 0 DHABRN COC(=O)c1ccc(OCc2cccc(Br)c2)cc1 ZINC000057475626 184039367 /nfs/dbraw/zinc/03/93/67/184039367.db2.gz QOGVEPOOHJSNGH-UHFFFAOYSA-N 0 0 321.170 3.815 40 0 DHABRN CC[C@@H](C)NC(=S)Nc1ccc(Br)cc1F ZINC000059115075 184134972 /nfs/dbraw/zinc/13/49/72/184134972.db2.gz OPURFUKFAFBKDI-SSDOTTSWSA-N 0 0 305.216 3.673 40 0 DHABRN CN(C)C(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000059843088 184141466 /nfs/dbraw/zinc/14/14/66/184141466.db2.gz JXQRPQVCVARHGL-UHFFFAOYSA-N 0 0 300.358 3.804 40 0 DHABRN Cc1cc(F)cc(Br)c1I ZINC000063339589 184280764 /nfs/dbraw/zinc/28/07/64/184280764.db2.gz FGWWSTPAPGETQF-UHFFFAOYSA-N 0 0 314.923 3.501 40 0 DHABRN CCn1c(SCc2cccnc2)nnc1-c1cccc(C)c1 ZINC000004160844 256516736 /nfs/dbraw/zinc/51/67/36/256516736.db2.gz IIFROHGTAQTTHA-UHFFFAOYSA-N 0 0 310.426 3.961 40 0 DHABRN O=C(CSc1nccn1Cc1ccccc1)c1ccccc1 ZINC000059474691 256540058 /nfs/dbraw/zinc/54/00/58/256540058.db2.gz XUSWNISRNGNHGA-UHFFFAOYSA-N 0 0 308.406 3.906 40 0 DHABRN CCSc1ccccc1C(=O)NCCOc1ccccc1C ZINC000224639358 256594882 /nfs/dbraw/zinc/59/48/82/256594882.db2.gz NTGZMYICGRBEIM-UHFFFAOYSA-N 0 0 315.438 3.916 40 0 DHABRN CCSc1ncccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072217165 257125217 /nfs/dbraw/zinc/12/52/17/257125217.db2.gz NBQGKLAGEOPGII-UHFFFAOYSA-N 0 0 324.446 3.681 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214292 257126513 /nfs/dbraw/zinc/12/65/13/257126513.db2.gz SRAITYSBLGYUBK-GOSISDBHSA-N 0 0 309.413 3.923 40 0 DHABRN CCNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072213102 257127624 /nfs/dbraw/zinc/12/76/24/257127624.db2.gz PTQBSVDEBVNJFT-AWEZNQCLSA-N 0 0 305.422 3.976 40 0 DHABRN O=C1C(=Cc2ccc(Cl)cc2Cl)CCC1=C1NCCN1 ZINC000062716153 257129053 /nfs/dbraw/zinc/12/90/53/257129053.db2.gz ANGZJOJQVYYTMV-JXMROGBWSA-N 0 0 309.196 3.984 40 0 DHABRN CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000059227308 257217085 /nfs/dbraw/zinc/21/70/85/257217085.db2.gz DQLWIBXWEJENDK-MRXNPFEDSA-N 0 0 322.408 3.549 40 0 DHABRN CCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1 ZINC000009141378 257217973 /nfs/dbraw/zinc/21/79/73/257217973.db2.gz BCAIQIRLWOCGIN-UHFFFAOYSA-N 0 0 322.412 3.968 40 0 DHABRN COc1ccc(CSCC(=O)N2CCc3ccccc32)cc1 ZINC000010449006 257218015 /nfs/dbraw/zinc/21/80/15/257218015.db2.gz NWZCNEOLTYMABV-UHFFFAOYSA-N 0 0 313.422 3.518 40 0 DHABRN CCCC(=O)Nc1ccc(NC(=O)c2cccnc2Cl)cc1 ZINC000009141838 257218115 /nfs/dbraw/zinc/21/81/15/257218115.db2.gz XRNLHJYIQUYRKH-UHFFFAOYSA-N 0 0 317.776 3.726 40 0 DHABRN COCCCN1C(=O)S/C(=C/c2c(C)cc(C)cc2C)C1=O ZINC000409245242 257220356 /nfs/dbraw/zinc/22/03/56/257220356.db2.gz PPMXRZLFTSTOMF-XNTDXEJSSA-N 0 0 319.426 3.685 40 0 DHABRN CCCCCN1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O ZINC000409203335 257220506 /nfs/dbraw/zinc/22/05/06/257220506.db2.gz WLZPYKXYPBLDJU-UVTDQMKNSA-N 0 0 321.398 3.627 40 0 DHABRN O=C(CN1Cc2ccccc2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000409207220 257220824 /nfs/dbraw/zinc/22/08/24/257220824.db2.gz UAGUOORHSQUEKU-UHFFFAOYSA-N 0 0 321.207 3.948 40 0 DHABRN CCCN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc32)C1=O ZINC000409241211 257220902 /nfs/dbraw/zinc/22/09/02/257220902.db2.gz SCKFURVYPJZOJS-NTEUORMPSA-N 0 0 300.383 3.923 40 0 DHABRN C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc2conc2c1 ZINC000409198398 257221432 /nfs/dbraw/zinc/22/14/32/257221432.db2.gz FNXFMJCBDKZYCX-NSHDSACASA-N 0 0 309.394 3.976 40 0 DHABRN COc1ccc(N(C)C(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000409135846 257221682 /nfs/dbraw/zinc/22/16/82/257221682.db2.gz SNIFGTYLNYQEFC-UHFFFAOYSA-N 0 0 311.341 3.813 40 0 DHABRN CCN1c2ccccc2/C(=C/c2cc(OC)ccc2OC)C1=O ZINC000409113847 257222565 /nfs/dbraw/zinc/22/25/65/257222565.db2.gz JDLKQCWTDCULKR-VBKFSLOCSA-N 0 0 309.365 3.611 40 0 DHABRN O=C1Nc2ccccc2S/C1=C\c1ccc2c(c1)OCCO2 ZINC000409104982 257223041 /nfs/dbraw/zinc/22/30/41/257223041.db2.gz HFYJZEKHCDIRFX-YBEGLDIGSA-N 0 0 311.362 3.543 40 0 DHABRN CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 ZINC000409030471 257224030 /nfs/dbraw/zinc/22/40/30/257224030.db2.gz FVGABFGKZUYYFD-LGMDPLHJSA-N 0 0 322.433 3.853 40 0 DHABRN S=C(NCCC1=CCCCC1)Nc1ccc2snnc2c1 ZINC000408999576 257224577 /nfs/dbraw/zinc/22/45/77/257224577.db2.gz WXKMYVVNPXUCAW-UHFFFAOYSA-N 0 0 318.471 3.868 40 0 DHABRN COc1ccc(CCCC(=O)Nc2ccccc2OC)cc1C ZINC000408913578 257226404 /nfs/dbraw/zinc/22/64/04/257226404.db2.gz MZCNRAJRDXPGHM-UHFFFAOYSA-N 0 0 313.397 3.974 40 0 DHABRN CC(C)CNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408618895 257229096 /nfs/dbraw/zinc/22/90/96/257229096.db2.gz HWTWREGFQZWYPD-UHFFFAOYSA-N 0 0 320.392 3.561 40 0 DHABRN CSc1cccc(NC(=S)NC(=O)c2cccc(C)c2)c1 ZINC000408596627 257229243 /nfs/dbraw/zinc/22/92/43/257229243.db2.gz SHKCZIVDDPHCQP-UHFFFAOYSA-N 0 0 316.451 3.844 40 0 DHABRN CCCOc1ccc(C(=S)NCc2ccc(OC)cc2)cc1 ZINC000408572788 257229584 /nfs/dbraw/zinc/22/95/84/257229584.db2.gz IICNAUITMOZURZ-UHFFFAOYSA-N 0 0 315.438 3.949 40 0 DHABRN CC(C)C[C@H](c1nc(CC2=CCCC2)no1)N1CCCCC1=O ZINC000273776176 130165592 /nfs/dbraw/zinc/16/55/92/130165592.db2.gz RUYJARNCVRLKMZ-OAHLLOKOSA-N 0 0 317.433 3.822 40 0 DHABRN C[C@]12C[C@H](NC(=S)N1c1ccccc1F)c1ccccc1O2 ZINC000012415477 134506076 /nfs/dbraw/zinc/50/60/76/134506076.db2.gz OOXGMAHIANFIIA-GUYCJALGSA-N 0 0 314.385 3.760 40 0 DHABRN CCOC(=O)Cc1csc(Nc2c(C)cc(C)cc2C)n1 ZINC000133816604 196337890 /nfs/dbraw/zinc/33/78/90/196337890.db2.gz HFBSNBGCHVEGMJ-UHFFFAOYSA-N 0 0 304.415 3.918 40 0 DHABRN O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000013995807 262508322 /nfs/dbraw/zinc/50/83/22/262508322.db2.gz UXBMQPLDAFVGNT-OUKQBFOZSA-N 0 0 320.392 3.575 40 0 DHABRN Cc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000005337298 331490756 /nfs/dbraw/zinc/49/07/56/331490756.db2.gz NBJXNDQGKGZVFR-JNCYCUAHSA-N 0 0 318.420 3.632 40 0 DHABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1F ZINC000020137746 331584345 /nfs/dbraw/zinc/58/43/45/331584345.db2.gz HQHALNWUHXVAQP-UHFFFAOYSA-N 0 0 311.312 3.830 40 0 DHABRN Cc1ccc(C2=N[C@@H](C(=O)C(Cl)(Cl)Cl)C=C2)cc1 ZINC000521396083 336277580 /nfs/dbraw/zinc/27/75/80/336277580.db2.gz UWWDABXGKMICOW-LLVKDONJSA-N 0 0 302.588 3.662 40 0 DHABRN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000247943177 341371432 /nfs/dbraw/zinc/37/14/32/341371432.db2.gz QIBHNDDMPBCRNN-BSXFFOKHSA-N 0 0 323.440 3.705 40 0 DHABRN Fc1cccc(-c2cnc3n2CCN(Cc2cccs2)C3)c1 ZINC000306130954 534513513 /nfs/dbraw/zinc/51/35/13/534513513.db2.gz JTHOGNOYTDRDGO-UHFFFAOYSA-N 0 0 313.401 3.767 40 0 DHABRN Cc1ccccc1COC(=O)c1snnc1-c1ccccc1 ZINC000223834382 525170990 /nfs/dbraw/zinc/17/09/90/525170990.db2.gz AZMYRUFYSKRGHZ-UHFFFAOYSA-N 0 0 310.378 3.871 40 0 DHABRN CC(C)c1ccccc1OCC(=O)NCCSC1CCCC1 ZINC000223233555 563732235 /nfs/dbraw/zinc/73/22/35/563732235.db2.gz IVJGXYIOLKGAQX-UHFFFAOYSA-N 0 0 321.486 3.981 40 0 DHABRN O=C(OC1CCCCC1)c1snnc1-c1ccc(F)cc1 ZINC000223840918 563737044 /nfs/dbraw/zinc/73/70/44/563737044.db2.gz ONWYBNXGLHMQCB-UHFFFAOYSA-N 0 0 306.362 3.834 40 0 DHABRN CCC(CC)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225801717 563764143 /nfs/dbraw/zinc/76/41/43/563764143.db2.gz MDEHINGMBOMZSD-UHFFFAOYSA-N 0 0 319.474 3.597 40 0 DHABRN O=Cc1c(-c2ccccc2)nc2ccc(Br)cn12 ZINC000004242048 563868694 /nfs/dbraw/zinc/86/86/94/563868694.db2.gz PNBBYIOMDIULGP-UHFFFAOYSA-N 0 0 301.143 3.576 40 0 DHABRN OC(=CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 ZINC000001614995 563288129 /nfs/dbraw/zinc/28/81/29/563288129.db2.gz ZGHGKWHKDIVTIU-UHFFFAOYSA-N 0 0 320.616 3.769 40 0 DHABRN CC(=O)[C@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000048403785 563467042 /nfs/dbraw/zinc/46/70/42/563467042.db2.gz UGIBXSPOZIFSQB-LBPRGKRZSA-N 0 0 302.757 3.927 40 0 in-vitro DHABRN Brc1ccc2[nH]cc(I)c2c1 ZINC000071186787 563498442 /nfs/dbraw/zinc/49/84/42/563498442.db2.gz OCYVXFHJBHFPSD-UHFFFAOYSA-N 0 0 321.943 3.535 40 0 DHABRN CC(=O)O[C@@H]1c2ccc(cc2)CCc2ccc(cc2)[C@H]1OC(C)=O ZINC000000409598 563252048 /nfs/dbraw/zinc/25/20/48/563252048.db2.gz AIRPCEQRTRZRJP-WOJBJXKFSA-N 0 0 324.376 3.694 40 0 DHABRN CC(C)Oc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 ZINC000000557652 563266048 /nfs/dbraw/zinc/26/60/48/563266048.db2.gz GQNIQGOXJUSACQ-UHFFFAOYSA-N 0 0 323.348 3.833 40 0 DHABRN Cc1ccc(CC(=O)Nc2ccccc2Br)cc1 ZINC000000578009 563267924 /nfs/dbraw/zinc/26/79/24/563267924.db2.gz UGPKRFOPDOJORL-UHFFFAOYSA-N 0 0 304.187 3.939 40 0 DHABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)c1 ZINC000034916280 563272550 /nfs/dbraw/zinc/27/25/50/563272550.db2.gz RBAQTISNVDTOPN-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN Clc1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000001573469 563285676 /nfs/dbraw/zinc/28/56/76/563285676.db2.gz CLHNRFAGXJYUJA-UHFFFAOYSA-N 0 0 315.716 3.862 40 0 DHABRN O=C(c1ccc(F)cc1)c1cccc(C(=O)c2ccc(F)cc2)n1 ZINC000001622912 563288206 /nfs/dbraw/zinc/28/82/06/563288206.db2.gz ZWBHLMOYZNLVNU-UHFFFAOYSA-N 0 0 323.298 3.822 40 0 DHABRN COc1ccc(-c2ccc(CCNC(C)=O)cc2)cc1Cl ZINC000001704879 563291945 /nfs/dbraw/zinc/29/19/45/563291945.db2.gz YCXDAMIQLTVUIR-UHFFFAOYSA-N 0 0 303.789 3.694 40 0 DHABRN CN(C)c1ccc2c(c1)C(=O)c1cc(Br)ccc1-2 ZINC000001692043 563291994 /nfs/dbraw/zinc/29/19/94/563291994.db2.gz VVURLPPOKLYTEI-UHFFFAOYSA-N 0 0 302.171 3.727 40 0 DHABRN COC(=O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 ZINC000001855624 563296178 /nfs/dbraw/zinc/29/61/78/563296178.db2.gz FBSPLRDIDLJAFT-UHFFFAOYSA-N 0 0 306.405 3.676 40 0 DHABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000005439720 563329473 /nfs/dbraw/zinc/32/94/73/563329473.db2.gz YAJXRBRYGQQBBS-UHFFFAOYSA-N 0 0 314.772 3.719 40 0 DHABRN CC(C)c1nc2sc3c(c2c2n[nH]c(=S)n21)CC[C@H](C)C3 ZINC000035312167 563331632 /nfs/dbraw/zinc/33/16/32/563331632.db2.gz AUQFTNDXIDOZGG-QMMMGPOBSA-N 0 0 318.471 3.876 40 0 DHABRN CCc1ccc(NC(=S)NCc2ccccc2OC)cc1 ZINC000006941340 563335426 /nfs/dbraw/zinc/33/54/26/563335426.db2.gz VKJNABKNOJYWNK-UHFFFAOYSA-N 0 0 300.427 3.744 40 0 DHABRN Cc1ccc(C)c(OCC(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000007967118 563343453 /nfs/dbraw/zinc/34/34/53/563343453.db2.gz IMRUFOYRHJLRPV-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN COc1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC000007967224 563343521 /nfs/dbraw/zinc/34/35/21/563343521.db2.gz KRBSMRRPMRDOIR-UHFFFAOYSA-N 0 0 324.808 3.974 40 0 DHABRN CCCC(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000009064326 563351608 /nfs/dbraw/zinc/35/16/08/563351608.db2.gz SMRKWGGPDFIKAS-ZDUSSCGKSA-N 0 0 319.474 3.679 40 0 DHABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 ZINC000010110349 563355077 /nfs/dbraw/zinc/35/50/77/563355077.db2.gz FVDWFMLWPUYADL-CQSZACIVSA-N 0 0 317.816 3.856 40 0 DHABRN CC(C)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)cc1 ZINC000010325423 563356283 /nfs/dbraw/zinc/35/62/83/563356283.db2.gz NTIMULVDGJQDND-INIZCTEOSA-N 0 0 324.380 3.538 40 0 DHABRN COc1ccc(NC(=O)CCc2ccc(Cl)cc2)c(OC)c1 ZINC000010747709 563358201 /nfs/dbraw/zinc/35/82/01/563358201.db2.gz KVYVVDOCXNKXFF-UHFFFAOYSA-N 0 0 319.788 3.929 40 0 DHABRN COc1ccc(CNc2c(-c3ccco3)nc3cnccn32)cc1 ZINC000012113777 563361598 /nfs/dbraw/zinc/36/15/98/563361598.db2.gz PVRYQIHIFHDMTD-UHFFFAOYSA-N 0 0 320.352 3.610 40 0 DHABRN Fc1ccc(CNc2c(-c3ccco3)nc3cnccn32)cc1 ZINC000012113776 563361614 /nfs/dbraw/zinc/36/16/14/563361614.db2.gz NPDGGKROWWPUBR-UHFFFAOYSA-N 0 0 308.316 3.741 40 0 DHABRN CC[C@H](NC(=O)c1ccc2[nH]c(C)nc2c1)c1ccc(F)cc1 ZINC000012147319 563363135 /nfs/dbraw/zinc/36/31/35/563363135.db2.gz JAEDTKMWOSDEKB-HNNXBMFYSA-N 0 0 311.360 3.892 40 0 DHABRN Cc1c(CN(Cc2ccco2)Cc2ccc(F)cc2)cnn1C ZINC000012186678 563363602 /nfs/dbraw/zinc/36/36/02/563363602.db2.gz OZOIXLACKZUSDW-UHFFFAOYSA-N 0 0 313.376 3.663 40 0 DHABRN CC[C@H](NC(=O)CCn1nc(C)c(C)c1C)c1ccc(F)cc1 ZINC000012199693 563364711 /nfs/dbraw/zinc/36/47/11/563364711.db2.gz HXQQHHKAOGTTFI-KRWDZBQOSA-N 0 0 317.408 3.605 40 0 DHABRN CCc1[nH]c2ccc(C(=O)NCCC[C@@H]3CCOC3)cc2c1C ZINC000012204047 563364955 /nfs/dbraw/zinc/36/49/55/563364955.db2.gz KZVRCPWURUZFCK-CQSZACIVSA-N 0 0 314.429 3.585 40 0 DHABRN CNc1ncc(CNC2(c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000012361951 563367115 /nfs/dbraw/zinc/36/71/15/563367115.db2.gz STDMXCGBSHUXAZ-UHFFFAOYSA-N 0 0 323.227 3.604 40 0 DHABRN CC1=C[C@](O)(c2ccccn2)[P@](=O)(c2ccccc2)C=C1C ZINC000013213201 563379356 /nfs/dbraw/zinc/37/93/56/563379356.db2.gz PJICAWSJXGVEIJ-XMSQKQJNSA-N 0 0 311.321 3.779 40 0 DHABRN O=C(Nc1ccccc1)N1CCN(/C=C/c2ccccc2)CC1 ZINC000013576919 563383526 /nfs/dbraw/zinc/38/35/26/563383526.db2.gz HFPKJFJPSMUWHI-VAWYXSNFSA-N 0 0 307.397 3.507 40 0 DHABRN CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000013674625 563385334 /nfs/dbraw/zinc/38/53/34/563385334.db2.gz YEIFXXKCFOZZDN-CQSZACIVSA-N 0 0 315.438 3.882 40 0 DHABRN COC(=O)c1ccccc1NC(=O)c1ccccc1OC(C)C ZINC000014664047 563402358 /nfs/dbraw/zinc/40/23/58/563402358.db2.gz QVVSWCFFYNYALO-UHFFFAOYSA-N 0 0 313.353 3.513 40 0 DHABRN CC[C@@H](C)n1cc(/C=C2/NC(=O)N(CC)C2=O)c2ccccc21 ZINC000015013924 563405305 /nfs/dbraw/zinc/40/53/05/563405305.db2.gz CTDQRVCFKGOLRR-JXCQQFQQSA-N 0 0 311.385 3.525 40 0 DHABRN FC(F)(F)Sc1ccc(I)cc1 ZINC000016158388 563411684 /nfs/dbraw/zinc/41/16/84/563411684.db2.gz RIVGBAIATPAXKD-UHFFFAOYSA-N 0 0 304.074 3.903 40 0 DHABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000020450144 563416888 /nfs/dbraw/zinc/41/68/88/563416888.db2.gz BASXEIJSWCKBNZ-CQSZACIVSA-N 0 0 313.397 3.514 40 0 DHABRN C[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000032699802 563443521 /nfs/dbraw/zinc/44/35/21/563443521.db2.gz PIJAJQROZBUXGX-QGZVFWFLSA-N 0 0 323.436 3.655 40 0 DHABRN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CCC(=O)O2 ZINC000033860449 563446457 /nfs/dbraw/zinc/44/64/57/563446457.db2.gz SZKJPNYYJWKGMH-VWFRWXODSA-N 0 0 306.446 3.686 40 0 DHABRN COc1cccc2c(Nc3cccc(C(=O)[O-])c3)cc(C)nc12 ZINC000041495462 563461627 /nfs/dbraw/zinc/46/16/27/563461627.db2.gz IQRUZJJSQACELV-UHFFFAOYSA-N 0 0 308.337 3.994 40 0 DHABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccccc1 ZINC000044840617 563462445 /nfs/dbraw/zinc/46/24/45/563462445.db2.gz BADVUSGQLDWIIT-SFHVURJKSA-N 0 0 311.425 3.820 40 0 DHABRN COc1ccccc1OCC(=O)NCc1ccc2ccccc2c1 ZINC000045201319 563464715 /nfs/dbraw/zinc/46/47/15/563464715.db2.gz YDFHRLSAIYISSL-UHFFFAOYSA-N 0 0 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ZINC000014399274 563668383 /nfs/dbraw/zinc/66/83/83/563668383.db2.gz ORHDXIRUVVOPPS-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN CCCN1CN(Cc2ccccc2)Cn2c3ccccc3nc21 ZINC000014608198 563672190 /nfs/dbraw/zinc/67/21/90/563672190.db2.gz ZKCJSDIPZBNSJD-UHFFFAOYSA-N 0 0 306.413 3.684 40 0 DHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000014796176 563672489 /nfs/dbraw/zinc/67/24/89/563672489.db2.gz HTDFNXLSMGFNDW-BUYIWHAFSA-N 0 0 322.408 3.867 40 0 DHABRN COC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1C ZINC000021028475 563705344 /nfs/dbraw/zinc/70/53/44/563705344.db2.gz UXYBUWUOVXXWME-VAWYXSNFSA-N 0 0 309.365 3.742 40 0 DHABRN O=C(COc1ccc(Cl)cc1)n1cc(CO)c2ccccc21 ZINC000218741385 563716719 /nfs/dbraw/zinc/71/67/19/563716719.db2.gz WJEVDRXDHFNIIF-UHFFFAOYSA-N 0 0 315.756 3.506 40 0 DHABRN CCc1ccc(OCC(=O)NCCCc2cccc(C)c2)cc1 ZINC000218955609 563717355 /nfs/dbraw/zinc/71/73/55/563717355.db2.gz KTMMABLCNCZYKM-UHFFFAOYSA-N 0 0 311.425 3.685 40 0 DHABRN Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccccc2)cc1 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0 300.198 3.830 40 0 DHABRN CCOC(=O)c1cc(N)ccc1Nc1cc(C)ccc1OC ZINC000225481729 563914802 /nfs/dbraw/zinc/91/48/02/563914802.db2.gz HLHYLFGCGWOUAR-UHFFFAOYSA-N 0 0 300.358 3.506 40 0 DHABRN CCCCCOc1ccc(/C=C/C(=O)NC(C)C)cc1OC ZINC000001799548 563920468 /nfs/dbraw/zinc/92/04/68/563920468.db2.gz JALDTVDUFNHJNE-PKNBQFBNSA-N 0 0 305.418 3.802 40 0 DHABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccncc3)C2=O)c1 ZINC000006422304 563921411 /nfs/dbraw/zinc/92/14/11/563921411.db2.gz FUEOWSHGLCDVJB-XNTDXEJSSA-N 0 0 310.378 3.627 40 0 DHABRN COC(=O)c1ccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@@H]32)cc1 ZINC000006950469 563921748 /nfs/dbraw/zinc/92/17/48/563921748.db2.gz IRYOXXMCALRABQ-NJAFHUGGSA-N 0 0 309.365 3.718 40 0 DHABRN Cc1cccc(N2C[C@H](C(=O)Oc3cc(C)cc(C)c3)CC2=O)c1 ZINC000007929067 563922103 /nfs/dbraw/zinc/92/21/03/563922103.db2.gz QZEFAYIJOXWLAO-MRXNPFEDSA-N 0 0 323.392 3.570 40 0 DHABRN Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000007929319 563922117 /nfs/dbraw/zinc/92/21/17/563922117.db2.gz GPVVVVHRJDKQIT-MRXNPFEDSA-N 0 0 323.392 3.570 40 0 DHABRN Cc1cccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000007882138 563922127 /nfs/dbraw/zinc/92/21/27/563922127.db2.gz KFHMEAUNMXFCRG-WBVHZDCISA-N 0 0 322.408 3.543 40 0 DHABRN Cc1cc(C)c(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000007504685 563922128 /nfs/dbraw/zinc/92/21/28/563922128.db2.gz JTAIZRGVXPUUOI-UHFFFAOYSA-N 0 0 324.424 3.701 40 0 DHABRN Cc1ccc(CCCNC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000010110584 563922406 /nfs/dbraw/zinc/92/24/06/563922406.db2.gz PWTZVPFFBIYOSM-UHFFFAOYSA-N 0 0 311.425 3.740 40 0 DHABRN c1ccc(Nc2nccc(N3CCc4ccccc4C3)n2)cc1 ZINC000118755347 563923503 /nfs/dbraw/zinc/92/35/03/563923503.db2.gz JHUACFABSJQRQS-UHFFFAOYSA-N 0 0 302.381 3.783 40 0 DHABRN Cc1nc2ccc(OC(=S)N3CCC(C)CC3)cc2nc1C ZINC000107941348 563923513 /nfs/dbraw/zinc/92/35/13/563923513.db2.gz XBFAYQVDFUWQOT-UHFFFAOYSA-N 0 0 315.442 3.642 40 0 DHABRN FCc1cc2cccc(I)c2nc1Cl ZINC000685937206 563926977 /nfs/dbraw/zinc/92/69/77/563926977.db2.gz MZXFSZWWGLQFQX-UHFFFAOYSA-N 0 0 321.520 3.962 40 0 DHABRN COc1ccc2c(c1)Cc1sc(Nc3ccccc3OC)nc1-2 ZINC000408892429 563960328 /nfs/dbraw/zinc/96/03/28/563960328.db2.gz BGIHAEJYEHREDM-UHFFFAOYSA-N 0 0 324.405 4.475 40 0 DHABRN COc1cc(NC(=O)c2ccc(N)c(C)c2)c(OC)cc1Cl ZINC000020220836 563961635 /nfs/dbraw/zinc/96/16/35/563961635.db2.gz PAZFRWSMHJVPRS-UHFFFAOYSA-N 0 0 320.776 3.500 40 0 DHABRN Cc1[nH]c2ccc(OCc3nnc(C4CCC4)n3C)cc2c1C ZINC000527280069 563961869 /nfs/dbraw/zinc/96/18/69/563961869.db2.gz LMQRWQGLHUQOEE-UHFFFAOYSA-N 0 0 310.401 3.760 40 0 DHABRN COc1ccc2cc(C(=O)Nc3cc(C)cc(C)c3)c(=O)oc2c1 ZINC000033809262 568412923 /nfs/dbraw/zinc/41/29/23/568412923.db2.gz SHFLKVLFLHTCLC-UHFFFAOYSA-N 0 0 323.348 3.671 40 0 DHABRN CC(C)Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl ZINC000002750056 568414156 /nfs/dbraw/zinc/41/41/56/568414156.db2.gz RULZMHDBJXMDDZ-UHFFFAOYSA-N 0 0 317.816 3.986 40 0 DHABRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(C)o2)C1=O ZINC000210130972 1019319172 /nfs/dbraw/zinc/31/91/72/1019319172.db2.gz YZZVCWKWBXLJFH-ZROIWOOFSA-N 0 0 315.350 3.838 40 0 DHABRN C[C@H]1C[C@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)CC(C)(C)C1 ZINC000255189408 1019337393 /nfs/dbraw/zinc/33/73/93/1019337393.db2.gz PQDWJCQALFHMLQ-YUMQZZPRSA-N 0 0 304.221 3.661 40 0 DHABRN Clc1ccccc1Cn1cnc2c1nc(Cl)nc2Cl ZINC000096311599 1032931515 /nfs/dbraw/zinc/93/15/15/1032931515.db2.gz SKUQNIMPMZVNFF-UHFFFAOYSA-N 0 0 313.575 3.835 40 0 DHABRN CC(C)(C)c1ccccc1OCC(=O)NCCc1ccccc1 ZINC000005380115 1021271042 /nfs/dbraw/zinc/27/10/42/1021271042.db2.gz IDHOOCBHZOCSEK-UHFFFAOYSA-N 0 0 311.425 3.722 40 0 DHABRN COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000010295395 1021526077 /nfs/dbraw/zinc/52/60/77/1021526077.db2.gz YKBWQRQKMYEYGK-GFCCVEGCSA-N 0 0 315.394 3.593 40 0 DHABRN COc1cccc(CN(Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989630 1022011013 /nfs/dbraw/zinc/01/10/13/1022011013.db2.gz YQSRSIAARDNEQZ-UHFFFAOYSA-N 0 0 319.408 3.688 40 0 DHABRN CC(C)c1cnc(NC(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)s1 ZINC000192390497 1022012279 /nfs/dbraw/zinc/01/22/79/1022012279.db2.gz ITKPYVHQWXZMCT-DTWKUNHWSA-N 0 0 305.407 3.757 40 0 DHABRN C[C@H]1CCCC(=O)CCC/C=C\c2cc(O)cc(O)c2C(=O)O1 ZINC000100007202 1022053431 /nfs/dbraw/zinc/05/34/31/1022053431.db2.gz MBMQEIFVQACCCH-MIBUCLJRSA-N 0 0 318.369 3.580 40 0 in-vitro DHABRN CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224702343 1024648310 /nfs/dbraw/zinc/64/83/10/1024648310.db2.gz YMPDREBOKWUKLL-UHFFFAOYSA-N 0 0 316.209 3.819 40 0 DHABRN CC(C)NC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 ZINC000225410513 201703691 /nfs/dbraw/zinc/70/36/91/201703691.db2.gz CJSYQBKEQRKCNM-UHFFFAOYSA-N 0 0 301.434 3.709 40 0 DHABRN O[C@@H](c1cccc(Br)c1)c1cc(F)c(F)c(F)c1 ZINC000095730252 185383747 /nfs/dbraw/zinc/38/37/47/185383747.db2.gz PGXJCZZXUPZGLM-ZDUSSCGKSA-N 0 0 317.104 3.948 40 0 DHABRN CCOC(=O)c1cnc(-c2ccc(Br)cc2)s1 ZINC000095751670 185383806 /nfs/dbraw/zinc/38/38/06/185383806.db2.gz DBMRLVSBIWMDOK-UHFFFAOYSA-N 0 0 312.188 3.749 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000079030753 185147629 /nfs/dbraw/zinc/14/76/29/185147629.db2.gz QEACSENDPXQEFE-UHFFFAOYSA-N 0 0 311.809 3.559 40 0 DHABRN NC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 ZINC000225448174 201710042 /nfs/dbraw/zinc/71/00/42/201710042.db2.gz STZVSXLUWYVADS-UHFFFAOYSA-N 0 0 319.364 3.904 40 0 DHABRN Fc1cccc(F)c1Nc1cc(Cl)nc(-c2ccncc2)n1 ZINC000329070311 231433435 /nfs/dbraw/zinc/43/34/35/231433435.db2.gz ZGCBGCCMGZMEJY-UHFFFAOYSA-N 0 0 318.714 3.636 40 0 DHABRN COC(=O)c1cccc(NC(=S)NC2CCCCCCC2)c1 ZINC000225517691 201723926 /nfs/dbraw/zinc/72/39/26/201723926.db2.gz DWKJWCWGNRFSJW-UHFFFAOYSA-N 0 0 320.458 3.873 40 0 DHABRN CCC[C@H](C)NC(=O)CCc1nc(-c2ccccc2Cl)no1 ZINC000225811671 201749548 /nfs/dbraw/zinc/74/95/48/201749548.db2.gz LNYXSAXJNJNGDA-NSHDSACASA-N 0 0 321.808 3.627 40 0 DHABRN Cc1cccc(NC(=S)NC2(c3ccncc3)CCCC2)n1 ZINC000225873071 201757267 /nfs/dbraw/zinc/75/72/67/201757267.db2.gz RYOXNUCNFFVJQR-UHFFFAOYSA-N 0 0 312.442 3.541 40 0 DHABRN CCc1nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2n1C ZINC000225895977 201760264 /nfs/dbraw/zinc/76/02/64/201760264.db2.gz DXDXPVXRXCKYMN-ZDUSSCGKSA-N 0 0 307.397 3.627 40 0 DHABRN CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)cn1 ZINC000225898386 201760443 /nfs/dbraw/zinc/76/04/43/201760443.db2.gz RMPNGBXRZCWGHQ-UHFFFAOYSA-N 0 0 306.406 3.548 40 0 DHABRN O=C(NC1CCCCCC1)c1cc2cc(Cl)ccc2oc1=O ZINC000226041118 201766936 /nfs/dbraw/zinc/76/69/36/201766936.db2.gz HZFUDSYBHOWVFE-UHFFFAOYSA-N 0 0 319.788 3.899 40 0 DHABRN Cc1cc(C)n(-c2nc3cc(NC(=O)C(C)C)ccc3s2)n1 ZINC000072229647 191077045 /nfs/dbraw/zinc/07/70/45/191077045.db2.gz GPWDHGVBAMBWIZ-UHFFFAOYSA-N 0 0 314.414 3.693 40 0 DHABRN Cc1cccc(C(=O)Nc2cc(N(C)C)c(N)cc2Cl)c1 ZINC000072229044 191077520 /nfs/dbraw/zinc/07/75/20/191077520.db2.gz FLEDDZUHDWRHBO-UHFFFAOYSA-N 0 0 303.793 3.549 40 0 DHABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)n1 ZINC000148104937 186042987 /nfs/dbraw/zinc/04/29/87/186042987.db2.gz SREBXQGTJRMPNA-UHFFFAOYSA-N 0 0 323.371 3.940 40 0 DHABRN Cc1cc(C)n(Cc2ccc(C(=O)NC3CCCCC3)cc2)n1 ZINC000148084633 186043368 /nfs/dbraw/zinc/04/33/68/186043368.db2.gz FMDBXYKJBHHHNJ-UHFFFAOYSA-N 0 0 311.429 3.611 40 0 DHABRN Cc1ccc(SCCCNC(=S)Nc2cccnc2)cc1 ZINC000225589189 186280615 /nfs/dbraw/zinc/28/06/15/186280615.db2.gz JLBKWXVSOQRLJX-UHFFFAOYSA-N 0 0 317.483 3.859 40 0 DHABRN CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1C ZINC000225609746 186283546 /nfs/dbraw/zinc/28/35/46/186283546.db2.gz UOVSMGZCVHYMSN-QGZVFWFLSA-N 0 0 321.417 3.872 40 0 DHABRN COC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC1 ZINC000225625417 186284245 /nfs/dbraw/zinc/28/42/45/186284245.db2.gz FORCZAKUMZJFOY-UHFFFAOYSA-N 0 0 303.402 3.906 40 0 DHABRN CCOc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000225629401 186285100 /nfs/dbraw/zinc/28/51/00/186285100.db2.gz LMIKQVMDHIXVLV-UHFFFAOYSA-N 0 0 309.409 3.894 40 0 DHABRN Cc1cc2c(o1)CCc1sc(N(C)C(=O)C3CCCC3)nc1-2 ZINC000072347041 191128000 /nfs/dbraw/zinc/12/80/00/191128000.db2.gz MSGRBXWJVDZSBT-UHFFFAOYSA-N 0 0 316.426 3.963 40 0 DHABRN COc1ccccc1-c1ccc(CC2CCN(C(C)=O)CC2)cn1 ZINC000072360725 191131790 /nfs/dbraw/zinc/13/17/90/191131790.db2.gz XUVVLJPWSHXLRI-UHFFFAOYSA-N 0 0 324.424 3.558 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1nc(C)cc(Oc2ccccc2)n1 ZINC000072383520 191143861 /nfs/dbraw/zinc/14/38/61/191143861.db2.gz ZGVNMCJVZOHXKA-INIZCTEOSA-N 0 0 311.385 3.651 40 0 DHABRN COc1cc(C)ccc1N1C(=O)C[C@H]([C@H](C)c2ccccc2)C1=O ZINC000000032297 180672320 /nfs/dbraw/zinc/67/23/20/180672320.db2.gz MHGJUSXABUQKSX-GDBMZVCRSA-N 0 0 323.392 3.687 40 0 DHABRN Fc1ccc(-c2cc(CNc3ccccc3)c3nnnn3c2)cc1 ZINC000072392343 191147842 /nfs/dbraw/zinc/14/78/42/191147842.db2.gz BBVVONAICGHWKG-UHFFFAOYSA-N 0 0 319.343 3.543 40 0 DHABRN Cc1cnc2[nH]c(C(C)C)c(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000072395263 191150162 /nfs/dbraw/zinc/15/01/62/191150162.db2.gz VMCZPRQLNYTVSC-ZIAGYGMSSA-N 0 0 301.434 3.604 40 0 DHABRN O=C(Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1 ZINC000000064825 180681828 /nfs/dbraw/zinc/68/18/28/180681828.db2.gz ZUQHVMOXVLNALX-UHFFFAOYSA-N 0 0 321.351 3.700 40 0 DHABRN O=C(NCc1ccccc1)c1c2c(nc3ccccc31)CCC2 ZINC000000264504 180741758 /nfs/dbraw/zinc/74/17/58/180741758.db2.gz LFRVFZIXCUZJAO-UHFFFAOYSA-N 0 0 302.377 3.654 40 0 DHABRN COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3Cl)cc1 ZINC000001350552 180856410 /nfs/dbraw/zinc/85/64/10/180856410.db2.gz QOPBAOHLZBMFCH-UHFFFAOYSA-N 0 0 301.777 3.984 40 0 DHABRN Cc1ccc(C2=NN=C(N3CCCCC3)[C@H]3C=CC=C[C@H]23)cc1 ZINC000001465511 180868440 /nfs/dbraw/zinc/86/84/40/180868440.db2.gz LMRZANAIQNLWBF-ROUUACIJSA-N 0 0 305.425 3.956 40 0 DHABRN COc1ccc2cc3n(c2c1)CCc1cc(OC)c(OC)cc1-3 ZINC000001624025 180880887 /nfs/dbraw/zinc/88/08/87/180880887.db2.gz SIIKNNYVOYUTIV-UHFFFAOYSA-N 0 0 309.365 3.890 40 0 DHABRN CC(=O)N1C=Cc2ccccc2[C@H]1[C@H]1NC=Cc2ccccc21 ZINC000001577829 180875014 /nfs/dbraw/zinc/87/50/14/180875014.db2.gz AJSRKSMZXNELTH-PMACEKPBSA-N 0 0 302.377 3.876 40 0 DHABRN Cc1cccc(OCC(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000001839798 180898866 /nfs/dbraw/zinc/89/88/66/180898866.db2.gz UKTDUUWFBOEGLM-UHFFFAOYSA-N 0 0 316.357 3.761 40 0 DHABRN Cc1ccccc1N[P@](C)(=O)c1nc2c(s1)CCCC2 ZINC000003173189 180988316 /nfs/dbraw/zinc/98/83/16/180988316.db2.gz VVOJKGFKNMCNKG-LJQANCHMSA-N 0 0 306.371 3.976 40 0 DHABRN COc1ccc(Cl)cc1NC(=O)COc1c(C)cccc1C ZINC000003608691 181039980 /nfs/dbraw/zinc/03/99/80/181039980.db2.gz WTEUCXSOEZVFLD-UHFFFAOYSA-N 0 0 319.788 3.983 40 0 DHABRN CC1(C)OC[C@H]([C@H](c2cccs2)N(O)Cc2ccccc2)O1 ZINC000003847539 181049115 /nfs/dbraw/zinc/04/91/15/181049115.db2.gz KFATWFCXHUPNKN-GDBMZVCRSA-N 0 0 319.426 3.832 40 0 DHABRN CC1=CCC(=O)Nc2c1cnn2-c1cc(Cl)ccc1Cl ZINC000003852416 181050288 /nfs/dbraw/zinc/05/02/88/181050288.db2.gz HPEGKOZCUNIQBA-UHFFFAOYSA-N 0 0 308.168 3.925 40 0 DHABRN C[C@@H]1CC[C@@](C)(C(=O)COC(=O)Cc2ccccc2)C1(C)C ZINC000003846156 181048742 /nfs/dbraw/zinc/04/87/42/181048742.db2.gz YBVCFOOQPVLIPF-KUHUBIRLSA-N 0 0 302.414 3.804 40 0 DHABRN O=C(CCC1CCCC1)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC000004254121 181088581 /nfs/dbraw/zinc/08/85/81/181088581.db2.gz WWXZRKUEKAWUDO-MRXNPFEDSA-N 0 0 301.386 3.547 40 0 DHABRN COc1cc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)ccc1O ZINC000004458714 181110559 /nfs/dbraw/zinc/11/05/59/181110559.db2.gz MTNVLDROQYGFMD-LJQANCHMSA-N 0 0 321.380 3.854 40 0 DHABRN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000004713251 181141021 /nfs/dbraw/zinc/14/10/21/181141021.db2.gz QRNACKXLZPQDKE-DOMZBBRYSA-N 0 0 313.850 3.683 40 0 DHABRN Cc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(Cc2ccccc2)C(=O)N1 ZINC000004852929 181163059 /nfs/dbraw/zinc/16/30/59/181163059.db2.gz JXRHYNULHVDFOW-LPHOPBHVSA-N 0 0 308.381 3.760 40 0 DHABRN COc1ccc2oc(=N)c(C(=O)Nc3cccc(C)c3C)cc2c1 ZINC000004949737 181178155 /nfs/dbraw/zinc/17/81/55/181178155.db2.gz XDAVMTSDKUXLCA-UHFFFAOYSA-N 0 0 322.364 3.790 40 0 DHABRN O=C1CCC2=C3[C@H]4CCCC[C@@H]4C(=O)[C@@H]4CCC[C@@H](O[C@H]2C1)[C@H]34 ZINC000005049451 181197059 /nfs/dbraw/zinc/19/70/59/181197059.db2.gz VETBAJOOAOCRGE-KAZSKIEPSA-N 0 0 314.425 3.609 40 0 DHABRN O=C1S/C(=C\c2ccccc2F)C(=O)N1c1cccc(O)c1 ZINC000005376199 181235720 /nfs/dbraw/zinc/23/57/20/181235720.db2.gz 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ZINC000015744814 182014899 /nfs/dbraw/zinc/01/48/99/182014899.db2.gz UDGPVSYMYJISCC-GFCCVEGCSA-N 0 0 318.214 3.983 40 0 DHABRN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000016086508 182031521 /nfs/dbraw/zinc/03/15/21/182031521.db2.gz YWYRZVCFAKDNQO-CYBMUJFWSA-N 0 0 323.845 3.996 40 0 DHABRN Cc1cc(C)cc(NC(=S)NCCc2ccc(O)cc2)c1 ZINC000017025139 182068568 /nfs/dbraw/zinc/06/85/68/182068568.db2.gz UODCZKMVEKNLNZ-UHFFFAOYSA-N 0 0 300.427 3.538 40 0 DHABRN Cc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000017346187 182083958 /nfs/dbraw/zinc/08/39/58/182083958.db2.gz USJLCCBAMXQCLU-UHFFFAOYSA-N 0 0 307.315 3.873 40 0 DHABRN O=C(COc1cccc2ccccc21)NCCCc1ccccc1 ZINC000017298167 182081598 /nfs/dbraw/zinc/08/15/98/182081598.db2.gz YPYMBADBCYVUAH-UHFFFAOYSA-N 0 0 319.404 3.968 40 0 DHABRN CCCOc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 ZINC000018074943 182091874 /nfs/dbraw/zinc/09/18/74/182091874.db2.gz YOYNJBWEGMNIKD-UHFFFAOYSA-N 0 0 313.397 3.593 40 0 DHABRN Cc1ccccc1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000018831830 182102728 /nfs/dbraw/zinc/10/27/28/182102728.db2.gz PYQXXKWEOUKMGX-CYBMUJFWSA-N 0 0 303.789 3.732 40 0 DHABRN Cc1nnc(NC(=O)CSc2ccc3ccccc3c2)s1 ZINC000018228388 182100185 /nfs/dbraw/zinc/10/01/85/182100185.db2.gz JZFLDABTPOHZOM-UHFFFAOYSA-N 0 0 315.423 3.731 40 0 DHABRN Cc1csc([C@@H](Cc2ccsc2)NCc2cccnc2)n1 ZINC000019240255 182112202 /nfs/dbraw/zinc/11/22/02/182112202.db2.gz ZDCUGWSRZJUVEF-OAHLLOKOSA-N 0 0 315.467 3.982 40 0 DHABRN Fc1cccc(-c2nc3cnccn3c2NCc2ccco2)c1 ZINC000019294325 182113424 /nfs/dbraw/zinc/11/34/24/182113424.db2.gz ZGVLKJDHZXLJPQ-UHFFFAOYSA-N 0 0 308.316 3.741 40 0 DHABRN Cc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)n1 ZINC000019236349 182110864 /nfs/dbraw/zinc/11/08/64/182110864.db2.gz MAPRUPBOQIPHJA-HNNXBMFYSA-N 0 0 315.467 3.982 40 0 DHABRN O=C(Nc1ccccc1C1CC1)c1nn2cccnc2c1Cl ZINC000019348022 182117646 /nfs/dbraw/zinc/11/76/46/182117646.db2.gz NVACYFFCLVGSSC-UHFFFAOYSA-N 0 0 312.760 3.512 40 0 DHABRN Cc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1N ZINC000019394415 182121124 /nfs/dbraw/zinc/12/11/24/182121124.db2.gz MZFORDHZBATXAT-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN CCCc1ccc2[nH]c(=O)c(CNc3nc(C)ccc3O)cc2c1 ZINC000019525495 182128468 /nfs/dbraw/zinc/12/84/68/182128468.db2.gz ZDPBEICXCIFXCY-UHFFFAOYSA-N 0 0 323.396 3.502 40 0 DHABRN O=C(Nc1ccccc1Br)c1ccc(F)c(F)c1 ZINC000019484442 182125074 /nfs/dbraw/zinc/12/50/74/182125074.db2.gz GXLDTCOFJPWKDY-UHFFFAOYSA-N 0 0 312.113 3.980 40 0 DHABRN CCOC(=O)c1cnc2c(OC)ccc(Cl)c2c1Cl ZINC000019808122 182152450 /nfs/dbraw/zinc/15/24/50/182152450.db2.gz AGBHYOGNFFMSBZ-UHFFFAOYSA-N 0 0 300.141 3.727 40 0 DHABRN CCOc1ccccc1CNC(=O)CSc1ccc(C)cc1 ZINC000019933654 182167440 /nfs/dbraw/zinc/16/74/40/182167440.db2.gz XCGXATKDMSWALB-UHFFFAOYSA-N 0 0 315.438 3.802 40 0 DHABRN COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020025458 182180248 /nfs/dbraw/zinc/18/02/48/182180248.db2.gz QSYASOPQMFUKBL-NSHDSACASA-N 0 0 319.788 3.848 40 0 DHABRN C[C@@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1 ZINC000020025329 182180575 /nfs/dbraw/zinc/18/05/75/182180575.db2.gz IRLKYVQJEYNHQK-GFCCVEGCSA-N 0 0 318.214 3.869 40 0 DHABRN O=C1CCCN1c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000020034750 182182064 /nfs/dbraw/zinc/18/20/64/182182064.db2.gz QWBROEINSCVQFG-UHFFFAOYSA-N 0 0 311.410 3.622 40 0 DHABRN CC(C)c1nnc(SCc2nnc(-c3ccc(F)cc3)o2)o1 ZINC000020034581 182182242 /nfs/dbraw/zinc/18/22/42/182182242.db2.gz XNZZOUOZFUVJKW-UHFFFAOYSA-N 0 0 320.349 3.674 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000020041619 182182836 /nfs/dbraw/zinc/18/28/36/182182836.db2.gz GPHMUSHGUIBJKG-AWEZNQCLSA-N 0 0 311.381 3.858 40 0 DHABRN CC(C)OCCCNC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000020050313 182183784 /nfs/dbraw/zinc/18/37/84/182183784.db2.gz VSYDPSQBZRPWIV-HNNXBMFYSA-N 0 0 307.434 3.509 40 0 DHABRN COc1ccc([C@H](C)NC(=O)CCCOc2ccccc2)cc1 ZINC000020105691 182187171 /nfs/dbraw/zinc/18/71/71/182187171.db2.gz KMRZNRTUFFRAOV-HNNXBMFYSA-N 0 0 313.397 3.732 40 0 DHABRN CCCOc1ccc(C(=O)N(C)Cc2ccccc2OC)cc1 ZINC000020106999 182187739 /nfs/dbraw/zinc/18/77/39/182187739.db2.gz YLMGSDFRDCQEAS-UHFFFAOYSA-N 0 0 313.397 3.756 40 0 DHABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)CCC(C)C ZINC000020136781 182190902 /nfs/dbraw/zinc/19/09/02/182190902.db2.gz BZVXYXUUEIOKPD-UHFFFAOYSA-N 0 0 317.385 3.822 40 0 DHABRN CCCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(OC)c1 ZINC000020136655 182191068 /nfs/dbraw/zinc/19/10/68/182191068.db2.gz HOYRKWPPWMXCJY-UHFFFAOYSA-N 0 0 317.385 3.966 40 0 DHABRN Cc1cc(NC(=O)/C=C/c2ccco2)ccc1-c1ccc(CO)o1 ZINC000020145249 182192647 /nfs/dbraw/zinc/19/26/47/182192647.db2.gz OVVPQHVJNXBZOZ-RMKNXTFCSA-N 0 0 323.348 3.992 40 0 DHABRN CCOc1ccccc1NC(=O)c1noc2c1CCCCC2 ZINC000020190249 182195508 /nfs/dbraw/zinc/19/55/08/182195508.db2.gz VTNXTVGDHGVRBU-UHFFFAOYSA-N 0 0 300.358 3.595 40 0 DHABRN COc1ccc(OC)c(CC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000020447821 182217894 /nfs/dbraw/zinc/21/78/94/182217894.db2.gz HSXPAMNDJGCTKD-UHFFFAOYSA-N 0 0 319.788 3.847 40 0 DHABRN CCC[C@H](C)NC(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000020456751 182219366 /nfs/dbraw/zinc/21/93/66/182219366.db2.gz CYSOUHACNFAPHB-AWEZNQCLSA-N 0 0 307.434 3.721 40 0 DHABRN Cc1ccc(CC(=O)NCCCc2ccccc2Cl)cc1 ZINC000020453406 182219534 /nfs/dbraw/zinc/21/95/34/182219534.db2.gz ZHTOFWSYUKBZFD-UHFFFAOYSA-N 0 0 301.817 3.940 40 0 DHABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCc1ccccc1 ZINC000020457147 182220147 /nfs/dbraw/zinc/22/01/47/182220147.db2.gz ACKYKRNDWNLGMK-GOSISDBHSA-N 0 0 311.425 3.820 40 0 DHABRN COc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000020458379 182220210 /nfs/dbraw/zinc/22/02/10/182220210.db2.gz DGLUNXHZQUKZQO-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN COc1ccc(OCCCC(=O)N(C)C2CCCCC2)cc1 ZINC000020462391 182220780 /nfs/dbraw/zinc/22/07/80/182220780.db2.gz NPJLZBRXSCFHCM-UHFFFAOYSA-N 0 0 305.418 3.645 40 0 DHABRN C[C@@H]1CCc2onc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1 ZINC000020572115 182234079 /nfs/dbraw/zinc/23/40/79/182234079.db2.gz YJWRVNUFPFYGHM-MRVPVSSYSA-N 0 0 308.740 3.844 40 0 DHABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCc2ccccc2C1 ZINC000020492554 182224152 /nfs/dbraw/zinc/22/41/52/182224152.db2.gz ONPZBKIZCCBVKH-LJQANCHMSA-N 0 0 309.409 3.737 40 0 DHABRN CCSc1nnc(NC(=O)CCc2ccc(CC)cc2)s1 ZINC000021280639 182270810 /nfs/dbraw/zinc/27/08/10/182270810.db2.gz VQCZKZRBUYUVDI-UHFFFAOYSA-N 0 0 321.471 3.784 40 0 DHABRN COc1ccccc1-c1nc(Cl)n(-c2ccc(F)cc2)n1 ZINC000022125436 182309825 /nfs/dbraw/zinc/30/98/25/182309825.db2.gz YDHROGJYFQQPOH-UHFFFAOYSA-N 0 0 303.724 3.735 40 0 DHABRN Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)nc2Cl)n1 ZINC000022125560 182309853 /nfs/dbraw/zinc/30/98/53/182309853.db2.gz REUHUPOLUFJGPX-UHFFFAOYSA-N 0 0 320.183 3.648 40 0 DHABRN Cc1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c(C)c1 ZINC000022236219 182314345 /nfs/dbraw/zinc/31/43/45/182314345.db2.gz DEPPWSVTQPLUPI-UHFFFAOYSA-N 0 0 324.355 3.547 40 0 DHABRN Cc1nc(-c2cccnc2)sc1C(=O)NCc1ccc(C)cc1 ZINC000022237477 182314390 /nfs/dbraw/zinc/31/43/90/182314390.db2.gz VAHMRRDYVISIQW-UHFFFAOYSA-N 0 0 323.421 3.752 40 0 DHABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCC(C)C ZINC000022245652 182314856 /nfs/dbraw/zinc/31/48/56/182314856.db2.gz YOLCITNDPCPXIP-UHFFFAOYSA-N 0 0 307.394 3.720 40 0 DHABRN CCCCNC(=O)c1sc(Nc2ccc(F)cc2)nc1C ZINC000022245650 182315012 /nfs/dbraw/zinc/31/50/12/182315012.db2.gz DRMAXNUKHWIKLW-UHFFFAOYSA-N 0 0 307.394 3.864 40 0 DHABRN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000022529216 182325051 /nfs/dbraw/zinc/32/50/51/182325051.db2.gz VFKVDUSNJPETLC-CABCVRRESA-N 0 0 313.397 3.648 40 0 DHABRN Cc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(F)cc1 ZINC000022532095 182325442 /nfs/dbraw/zinc/32/54/42/182325442.db2.gz CVXRUITZDTWXBV-OAHLLOKOSA-N 0 0 315.388 3.650 40 0 DHABRN COc1ccc(C(=O)Nc2ccccc2Br)cc1F ZINC000022863368 182338052 /nfs/dbraw/zinc/33/80/52/182338052.db2.gz ZFQXFCMXZNCRMX-UHFFFAOYSA-N 0 0 324.149 3.849 40 0 DHABRN COc1ccc(CN(C)C(=O)c2cc(C)ccc2C)cc1OC ZINC000023493576 182362428 /nfs/dbraw/zinc/36/24/28/182362428.db2.gz PDZGJAJHCKOOLZ-UHFFFAOYSA-N 0 0 313.397 3.593 40 0 DHABRN Cc1cccc(Cn2ccc(NC(=O)CCc3ccccc3)n2)c1 ZINC000027916306 182497105 /nfs/dbraw/zinc/49/71/05/182497105.db2.gz DPKJGAJTQNASAW-UHFFFAOYSA-N 0 0 319.408 3.811 40 0 DHABRN CCn1nccc1CN(C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000028219175 182512037 /nfs/dbraw/zinc/51/20/37/182512037.db2.gz FYLFCHUXWQOWNJ-UHFFFAOYSA-N 0 0 300.406 3.690 40 0 DHABRN Cc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2C)cc1 ZINC000028580351 182530604 /nfs/dbraw/zinc/53/06/04/182530604.db2.gz LKLGABHLBWPQAB-UHFFFAOYSA-N 0 0 309.818 3.782 40 0 DHABRN COCc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000029143818 182554103 /nfs/dbraw/zinc/55/41/03/182554103.db2.gz BQJMVRPUOYGTGI-LBPRGKRZSA-N 0 0 319.788 3.892 40 0 DHABRN CCCCCCN1N=C(C)[C@@H](C(=O)c2ccc(Cl)cc2)C1=O ZINC000100491240 193800484 /nfs/dbraw/zinc/80/04/84/193800484.db2.gz ZETUYCPVLHVEOY-HNNXBMFYSA-N 0 0 320.820 3.937 40 0 DHABRN CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O ZINC000101275340 193809883 /nfs/dbraw/zinc/80/98/83/193809883.db2.gz ZBZQXIYMYAOFMR-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN Cc1cccc(N2C(=O)C[C@@H](Nc3c(C)cc(C)cc3C)C2=O)c1 ZINC000101275186 193810123 /nfs/dbraw/zinc/81/01/23/193810123.db2.gz PQOSIZCKNANPLQ-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN Cc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000034366969 182732504 /nfs/dbraw/zinc/73/25/04/182732504.db2.gz MHBCGZAMNJKHMZ-UHFFFAOYSA-N 0 0 317.454 3.771 40 0 DHABRN CCc1ccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)cc1 ZINC000101275761 193810704 /nfs/dbraw/zinc/81/07/04/193810704.db2.gz AKWOWYIYFBVPPU-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN Cc1cccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)c1C ZINC000036635402 182831670 /nfs/dbraw/zinc/83/16/70/182831670.db2.gz YYRXKJUOQZFSMZ-INIZCTEOSA-N 0 0 322.408 3.664 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1Cl ZINC000038752167 183008735 /nfs/dbraw/zinc/00/87/35/183008735.db2.gz ZFCCKKYUOHPSLH-UHFFFAOYSA-N 0 0 321.735 3.908 40 0 DHABRN Cc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2)cc1 ZINC000038752783 183008880 /nfs/dbraw/zinc/00/88/80/183008880.db2.gz NDLBQNDBRNTWCY-UHFFFAOYSA-N 0 0 303.789 3.686 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1 ZINC000038772578 183009577 /nfs/dbraw/zinc/00/95/77/183009577.db2.gz FRCBLFOKDPPHBN-LLVKDONJSA-N 0 0 305.761 3.755 40 0 DHABRN Cc1cc2occ(CC(=O)Oc3cccnc3)c2cc1Cl ZINC000039892872 183022545 /nfs/dbraw/zinc/02/25/45/183022545.db2.gz PEKQPTJMPJHQBR-UHFFFAOYSA-N 0 0 301.729 3.938 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H](Oc2cccc(F)c2F)C1 ZINC000039953975 183023795 /nfs/dbraw/zinc/02/37/95/183023795.db2.gz IHMUDPJSFKCUFM-NSHDSACASA-N 0 0 313.344 3.743 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(Cl)cc2F)C1 ZINC000039954147 183023870 /nfs/dbraw/zinc/02/38/70/183023870.db2.gz HAUANQPWEWJEKL-NSHDSACASA-N 0 0 315.772 3.867 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000039954388 183024552 /nfs/dbraw/zinc/02/45/52/183024552.db2.gz HBZXISOSESAAPP-AWEZNQCLSA-N 0 0 314.385 3.623 40 0 DHABRN COc1ccc(F)cc1[C@@H](O)c1cccc(Br)c1 ZINC000040258386 183049384 /nfs/dbraw/zinc/04/93/84/183049384.db2.gz UAIABLUXNLSSAL-AWEZNQCLSA-N 0 0 311.150 3.679 40 0 DHABRN 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DHABRN COc1ccc(N)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000057340342 184033721 /nfs/dbraw/zinc/03/37/21/184033721.db2.gz QBVOTWFIDWIEIB-RUDMXATFSA-N 0 0 302.761 3.583 40 0 DHABRN COc1ccc(N)cc1NC(=O)c1cc2ccccc2cc1OC ZINC000057340153 184033887 /nfs/dbraw/zinc/03/38/87/184033887.db2.gz DTPJSCVOKPTDKN-UHFFFAOYSA-N 0 0 322.364 3.692 40 0 DHABRN Cc1ccc(-c2ccc(/C=C/C(N)=O)o2)c(Br)c1 ZINC000057353771 184035374 /nfs/dbraw/zinc/03/53/74/184035374.db2.gz ZMQOODDVWKLSLN-QPJJXVBHSA-N 0 0 306.159 3.516 40 0 DHABRN Cc1ccc(NC(=S)NCCCOC2CCCC2)cc1C ZINC000057815676 184055458 /nfs/dbraw/zinc/05/54/58/184055458.db2.gz LVAPIAVLRNYUTM-UHFFFAOYSA-N 0 0 306.475 3.939 40 0 DHABRN Cc1ccc(C)n1NC(=O)CSc1nc2ccccc2s1 ZINC000059549643 184139375 /nfs/dbraw/zinc/13/93/75/184139375.db2.gz HQAQICIJWLIBIM-UHFFFAOYSA-N 0 0 317.439 3.577 40 0 DHABRN COC(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000059570301 184139651 /nfs/dbraw/zinc/13/96/51/184139651.db2.gz PYDCHQSFLBMHLD-UHFFFAOYSA-N 0 0 321.170 3.815 40 0 DHABRN 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563239176 /nfs/dbraw/zinc/23/91/76/563239176.db2.gz CPGOAQIHAMEFBY-QGZVFWFLSA-N 0 0 324.380 3.597 40 0 DHABRN COc1cc(OC)cc(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000000364460 563245316 /nfs/dbraw/zinc/24/53/16/563245316.db2.gz BUCDGDNHGITUHB-GOSISDBHSA-N 0 0 311.381 3.511 40 0 DHABRN CCc1ccccc1NC(=S)NC(=O)c1ccc(C)cc1C ZINC000000570456 563267325 /nfs/dbraw/zinc/26/73/25/563267325.db2.gz ZXLYUMHPIRYUTL-UHFFFAOYSA-N 0 0 312.438 3.993 40 0 DHABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 ZINC000034917954 563272253 /nfs/dbraw/zinc/27/22/53/563272253.db2.gz ZLPREERWMVIGDY-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN O=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 ZINC000001453066 563284067 /nfs/dbraw/zinc/28/40/67/563284067.db2.gz ITKCHXKCMQGZJP-CQSZACIVSA-N 0 0 301.342 3.637 40 0 DHABRN O=S(=O)(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000001595685 563286918 /nfs/dbraw/zinc/28/69/18/563286918.db2.gz LZUZNLKBDZYINO-SJORKVTESA-N 0 0 315.438 3.691 40 0 DHABRN C[C@@H](C(=O)c1ccc(Cl)cc1)[C@H]1OC(=O)C(Cl)=C1Cl ZINC000001622423 563287831 /nfs/dbraw/zinc/28/78/31/563287831.db2.gz BAHJXRKPPQZQDT-PWCHPLFNSA-N 0 0 319.571 3.773 40 0 DHABRN CSc1nc2c(nc(SC)nc2Cl)n1-c1ccccc1 ZINC000001661460 563289321 /nfs/dbraw/zinc/28/93/21/563289321.db2.gz GKWAUVRKLHLVGN-UHFFFAOYSA-N 0 0 322.846 3.913 40 0 DHABRN CCCCC/C(=C/c1ccccc1)[C@@H]1OC[C@H](COC(C)=O)O1 ZINC000001677860 563290503 /nfs/dbraw/zinc/29/05/03/563290503.db2.gz DIVBJTJVOFKRKN-BAHTZTCJSA-N 0 0 318.413 3.955 40 0 DHABRN COC(=O)CSC(=O)N(c1ccccc1)c1ccccc1 ZINC000001682951 563291136 /nfs/dbraw/zinc/29/11/36/563291136.db2.gz RERRFXKIHCCSMG-UHFFFAOYSA-N 0 0 301.367 3.851 40 0 DHABRN CCC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O ZINC000001708537 563292500 /nfs/dbraw/zinc/29/25/00/563292500.db2.gz PNUYKJTZJOTASG-UHFFFAOYSA-N 0 0 308.333 3.965 40 0 DHABRN CCOC(=O)N1N=N[C@@H](C)[C@@]1(c1ccccc1)N1CCCCC1 ZINC000001720309 563293301 /nfs/dbraw/zinc/29/33/01/563293301.db2.gz UUYWXVKCDSRUDH-WMLDXEAASA-N 0 0 316.405 3.553 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)N(CC)c2ccccc2)cc1 ZINC000001753033 563295209 /nfs/dbraw/zinc/29/52/09/563295209.db2.gz JXSYQNBETZXGEI-UHFFFAOYSA-N 0 0 312.369 3.922 40 0 DHABRN COc1ccc(C)cc1NC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000001754044 563295279 /nfs/dbraw/zinc/29/52/79/563295279.db2.gz MAQJKGKCWPLLOS-UHFFFAOYSA-N 0 0 318.760 3.619 40 0 DHABRN O=C(CCCC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000002528488 563307803 /nfs/dbraw/zinc/30/78/03/563307803.db2.gz PLZHJBTWPOYHHY-UHFFFAOYSA-N 0 0 312.365 3.644 40 0 in-vitro DHABRN COc1cc(-c2cc(OC)c(N)cc2Cl)c(Cl)cc1N ZINC000002572223 563309933 /nfs/dbraw/zinc/30/99/33/563309933.db2.gz NRLUQVLHGAVXQB-UHFFFAOYSA-N 0 0 313.184 3.842 40 0 DHABRN COc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)cc1OC ZINC000003053356 563321279 /nfs/dbraw/zinc/32/12/79/563321279.db2.gz FYFJOEPQEMMEGT-NSHDSACASA-N 0 0 316.353 3.593 40 0 DHABRN CCCc1cc(=O)[nH]c(SCCOc2cc(C)cc(C)c2)n1 ZINC000004625653 563327717 /nfs/dbraw/zinc/32/77/17/563327717.db2.gz NLNPJLYCSQWXGW-UHFFFAOYSA-N 0 0 318.442 3.510 40 0 DHABRN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000035311696 563332088 /nfs/dbraw/zinc/33/20/88/563332088.db2.gz UHLGHQWLEBOISN-QGZVFWFLSA-N 0 0 323.396 3.630 40 0 DHABRN CCCN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000006629505 563333074 /nfs/dbraw/zinc/33/30/74/563333074.db2.gz SFIAJBAZHRIODL-CSNJMMPQSA-N 0 0 316.426 3.755 40 0 DHABRN C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](O)c1ccccc1 ZINC000006852980 563334623 /nfs/dbraw/zinc/33/46/23/563334623.db2.gz MMHHGWQXSWYUEY-IAQYHMDHSA-N 0 0 323.314 3.557 40 0 DHABRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000006851056 563334670 /nfs/dbraw/zinc/33/46/70/563334670.db2.gz VEWZSUWXBOWEHM-XHDPSFHLSA-N 0 0 320.845 3.749 40 0 DHABRN COc1ccc(NC(=S)NCCCOC2CCCCC2)cc1 ZINC000007011019 563336107 /nfs/dbraw/zinc/33/61/07/563336107.db2.gz GDUOOIMGUCOSNA-UHFFFAOYSA-N 0 0 322.474 3.721 40 0 DHABRN O=C(Cn1ccc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000007099458 563336610 /nfs/dbraw/zinc/33/66/10/563336610.db2.gz NYPBGSIAJQFBFN-UHFFFAOYSA-N 0 0 304.271 3.697 40 0 DHABRN CCc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 ZINC000007214006 563337338 /nfs/dbraw/zinc/33/73/38/563337338.db2.gz MCGVQRXAJXBGJQ-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN COc1cccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000007584004 563339581 /nfs/dbraw/zinc/33/95/81/563339581.db2.gz GMQXELOEKBQMCW-NSHDSACASA-N 0 0 304.390 3.882 40 0 DHABRN COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2ccccc2)c1 ZINC000008062591 563344098 /nfs/dbraw/zinc/34/40/98/563344098.db2.gz OFVDPLOIUVZGJY-BRADTZPFSA-N 0 0 311.381 3.594 40 0 DHABRN Cc1cccc(C)c1NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000009061626 563351097 /nfs/dbraw/zinc/35/10/97/563351097.db2.gz XRKVGXVOLJWPLG-UHFFFAOYSA-N 0 0 321.380 3.925 40 0 DHABRN CCOc1cc(/C=C/C(=O)NC2CCCCC2)ccc1OC ZINC000036729205 563354596 /nfs/dbraw/zinc/35/45/96/563354596.db2.gz CQNIBMCWXMILQE-ZRDIBKRKSA-N 0 0 303.402 3.556 40 0 DHABRN Cc1cccc(-n2nc3[nH]ccc(-c4ccccc4C)c-3c2=O)c1 ZINC000010157171 563355239 /nfs/dbraw/zinc/35/52/39/563355239.db2.gz AODUWTGMZOWFOU-UHFFFAOYSA-N 0 0 315.376 3.998 40 0 DHABRN O=C(c1cccs1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012116156 563361596 /nfs/dbraw/zinc/36/15/96/563361596.db2.gz NWIQJKJDPPXDFY-AWEZNQCLSA-N 0 0 311.410 3.992 40 0 DHABRN CC[C@H](C)C(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 ZINC000012088187 563361625 /nfs/dbraw/zinc/36/16/25/563361625.db2.gz MZPINWSYPQZCEI-AWEZNQCLSA-N 0 0 319.408 3.937 40 0 DHABRN O=C(N1CCC(c2ccncc2)CC1)C1(c2ccccc2)CC1 ZINC000012117365 563362420 /nfs/dbraw/zinc/36/24/20/563362420.db2.gz YBMFRPBYRSADSS-UHFFFAOYSA-N 0 0 306.409 3.519 40 0 DHABRN O=C(CCn1c(C(F)F)cc2cccnc21)N1CCCCCC1 ZINC000012187283 563364082 /nfs/dbraw/zinc/36/40/82/563364082.db2.gz FCRVWXJWDUFLIG-UHFFFAOYSA-N 0 0 321.371 3.767 40 0 DHABRN Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 ZINC000013647120 563384333 /nfs/dbraw/zinc/38/43/33/563384333.db2.gz JXNYKUHIZSNCFE-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN COc1ccc(C(=O)NCCCc2ccccc2Cl)cc1 ZINC000013674965 563385331 /nfs/dbraw/zinc/38/53/31/563385331.db2.gz RZGGAXARVTZLDB-UHFFFAOYSA-N 0 0 303.789 3.711 40 0 DHABRN COc1cccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)c1 ZINC000013672318 563385668 /nfs/dbraw/zinc/38/56/68/563385668.db2.gz SKSIKZNPCNGCQR-UHFFFAOYSA-N 0 0 310.397 3.572 40 0 DHABRN CC(C)Oc1cccc(CCCNC(=O)c2ccccc2F)c1 ZINC000013674262 563385804 /nfs/dbraw/zinc/38/58/04/563385804.db2.gz RZDAJYIIMDGQAM-UHFFFAOYSA-N 0 0 315.388 3.976 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000014396322 563400457 /nfs/dbraw/zinc/40/04/57/563400457.db2.gz PHBSERFVWOLHRD-RDTXWAMCSA-N 0 0 313.397 3.730 40 0 DHABRN COC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1 ZINC000014664014 563402233 /nfs/dbraw/zinc/40/22/33/563402233.db2.gz IGOLSDQPWAWBTE-UHFFFAOYSA-N 0 0 313.353 3.513 40 0 DHABRN COc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1F ZINC000014803988 563403676 /nfs/dbraw/zinc/40/36/76/563403676.db2.gz ZBJOPENAHOEODS-UHFFFAOYSA-N 0 0 319.401 3.665 40 0 DHABRN Cc1cc2c(cc1Cl)C=CC1(CCN(C(=O)C3CC3)CC1)O2 ZINC000019125737 563415472 /nfs/dbraw/zinc/41/54/72/563415472.db2.gz YYKCURFIIJEYCB-UHFFFAOYSA-N 0 0 317.816 3.825 40 0 DHABRN Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 ZINC000020137525 563417025 /nfs/dbraw/zinc/41/70/25/563417025.db2.gz NJPAFKNHHWYROH-UHFFFAOYSA-N 0 0 307.349 4.000 40 0 DHABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(OC)cc1 ZINC000025512978 563423282 /nfs/dbraw/zinc/42/32/82/563423282.db2.gz PSHJEFRXESXOHT-KDOFPFPSSA-N 0 0 313.397 3.730 40 0 DHABRN S=C1SCN(Cc2ccccc2)CN1Cc1ccco1 ZINC000031760835 563440332 /nfs/dbraw/zinc/44/03/32/563440332.db2.gz YVGRTHFXWYEKNL-UHFFFAOYSA-N 0 0 304.440 3.531 40 0 DHABRN C[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000031719436 563440618 /nfs/dbraw/zinc/44/06/18/563440618.db2.gz RUSXYSPNUUXXDR-APWZRJJASA-N 0 0 309.409 3.579 40 0 in-vitro DHABRN CN(Cc1ccccc1F)C(=O)c1cc(-c2ccccc2)on1 ZINC000032195397 563442067 /nfs/dbraw/zinc/44/20/67/563442067.db2.gz BAZKLYQYNFPTTP-UHFFFAOYSA-N 0 0 310.328 3.753 40 0 DHABRN Cc1cc(C)cc(NC(=O)C2(c3ccccc3)CCOCC2)c1 ZINC000032656091 563443120 /nfs/dbraw/zinc/44/31/20/563443120.db2.gz HJFZZVUQQIKCCO-UHFFFAOYSA-N 0 0 309.409 3.990 40 0 DHABRN COc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1OC ZINC000045201303 563464707 /nfs/dbraw/zinc/46/47/07/563464707.db2.gz AZQFKCKQJURWBU-UHFFFAOYSA-N 0 0 321.376 3.787 40 0 DHABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccnc2)c1 ZINC000045584663 563464885 /nfs/dbraw/zinc/46/48/85/563464885.db2.gz KMAPXBMWHVGOAW-OAHLLOKOSA-N 0 0 312.413 3.597 40 0 DHABRN Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000045904316 563465261 /nfs/dbraw/zinc/46/52/61/563465261.db2.gz XHCPHJWOMUSYMU-AWEZNQCLSA-N 0 0 311.381 3.566 40 0 DHABRN C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000045904111 563465501 /nfs/dbraw/zinc/46/55/01/563465501.db2.gz WCCAFFBLEMVGHR-LLVKDONJSA-N 0 0 317.772 3.602 40 0 DHABRN O=C(CSCc1ccccc1)NCCSC1CCCC1 ZINC000046450466 563465567 /nfs/dbraw/zinc/46/55/67/563465567.db2.gz JZUCRQWNIIJIFP-UHFFFAOYSA-N 0 0 309.500 3.712 40 0 DHABRN COc1cccc(C(=O)Nc2ccc(OC(C)C)cc2)c1OC ZINC000049226617 563467448 /nfs/dbraw/zinc/46/74/48/563467448.db2.gz ATHMPJWKUXMZAS-UHFFFAOYSA-N 0 0 315.369 3.743 40 0 DHABRN CN(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 ZINC000049929630 563467961 /nfs/dbraw/zinc/46/79/61/563467961.db2.gz UQIKMDSYNXITJU-UHFFFAOYSA-N 0 0 307.752 3.517 40 0 DHABRN COc1ccccc1CN(C)C(=O)CCc1ccc(Cl)cc1 ZINC000053664697 563469735 /nfs/dbraw/zinc/46/97/35/563469735.db2.gz WCYYBBQXNHORMN-UHFFFAOYSA-N 0 0 317.816 3.940 40 0 DHABRN CCCC[C@@H](CC)CNC(=O)CCc1ccc2c(c1)OCO2 ZINC000053674978 563469742 /nfs/dbraw/zinc/46/97/42/563469742.db2.gz JMHAIRZSORCOCJ-CQSZACIVSA-N 0 0 305.418 3.681 40 0 DHABRN CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000055508395 563475109 /nfs/dbraw/zinc/47/51/09/563475109.db2.gz WSJSNJMLFWPICH-CYBMUJFWSA-N 0 0 321.417 3.569 40 0 DHABRN O=C(Cc1cccs1)NCCOc1cccc2ccccc21 ZINC000055775373 563476993 /nfs/dbraw/zinc/47/69/93/563476993.db2.gz WALAQVJECZLSFX-UHFFFAOYSA-N 0 0 311.406 3.639 40 0 DHABRN COc1cc(C)ccc1N1C(=O)C[C@H]([C@@H](C)c2ccccc2)C1=O ZINC000000032295 563498995 /nfs/dbraw/zinc/49/89/95/563498995.db2.gz MHGJUSXABUQKSX-GOEBONIOSA-N 0 0 323.392 3.687 40 0 DHABRN CNC(=O)c1c(CCCc2ccccc2Cl)cccc1OC ZINC000035973462 563502585 /nfs/dbraw/zinc/50/25/85/563502585.db2.gz LHQVZCVPNNLJCS-UHFFFAOYSA-N 0 0 317.816 3.884 40 0 DHABRN COc1ccc(CC(=O)NCc2cccc3ccccc32)cc1 ZINC000074376535 563504502 /nfs/dbraw/zinc/50/45/02/563504502.db2.gz MCXMLQRUPNAETK-UHFFFAOYSA-N 0 0 305.377 3.707 40 0 DHABRN Nc1cccc(-c2nc(-c3ccccc3OC(F)F)no2)c1 ZINC000089262393 563524149 /nfs/dbraw/zinc/52/41/49/563524149.db2.gz LZHRABNKMGHPSI-UHFFFAOYSA-N 0 0 303.268 3.587 40 0 DHABRN Nc1ncccc1-c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000089263297 563524241 /nfs/dbraw/zinc/52/42/41/563524241.db2.gz HKOJKUCVGKMOBP-UHFFFAOYSA-N 0 0 307.140 3.688 40 0 DHABRN Cc1ccc(C)c(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)c1 ZINC000095915156 563530666 /nfs/dbraw/zinc/53/06/66/563530666.db2.gz MABHEVIOUKQMLD-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN c1csc(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC000096057903 563532079 /nfs/dbraw/zinc/53/20/79/563532079.db2.gz 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3.681 40 0 DHABRN Cc1c2c(sc1-c1ccccc1Cl)C[N@@H+](CC(=O)[O-])CC2 ZINC000116359210 563923577 /nfs/dbraw/zinc/92/35/77/563923577.db2.gz YVFRSHCETUMOLJ-UHFFFAOYSA-N 0 0 321.829 3.820 40 0 DHABRN Cc1cc(Cl)ccc1NC(=S)NC(=O)c1ccccc1 ZINC000143348253 563923592 /nfs/dbraw/zinc/92/35/92/563923592.db2.gz OYQLSPSUQCHJJU-UHFFFAOYSA-N 0 0 304.802 3.775 40 0 DHABRN COc1cc(Br)c(Br)c2[nH]ccc21 ZINC000002526996 563925561 /nfs/dbraw/zinc/92/55/61/563925561.db2.gz WTWQKKHLJQVITE-UHFFFAOYSA-N 0 0 304.969 3.702 40 0 DHABRN Fc1ccccc1Oc1ccc(I)cn1 ZINC000685937848 563926968 /nfs/dbraw/zinc/92/69/68/563926968.db2.gz WUGIOXTYOLZDBB-UHFFFAOYSA-N 0 0 315.085 3.618 40 0 DHABRN CCOC(=O)c1nc2c(OC)cccc2c(Cl)c1Cl ZINC000685937045 563927065 /nfs/dbraw/zinc/92/70/65/563927065.db2.gz IRENCJSWFMTIKS-UHFFFAOYSA-N 0 0 300.141 3.727 40 0 DHABRN CC(C)c1cc(N2C[C@H](C)O[C@@H](C)C2)nc2c(O)cccc12 ZINC000685938591 563927150 /nfs/dbraw/zinc/92/71/50/563927150.db2.gz WUOASZHNGDJSBY-STQMWFEESA-N 0 0 300.402 3.677 40 0 DHABRN O=C1Nc2ccc(Br)cc2C1OCc1ccncc1 ZINC000008816273 563927564 /nfs/dbraw/zinc/92/75/64/563927564.db2.gz DDWLUHSWARYGEI-UHFFFAOYSA-N 0 0 319.158 3.610 40 0 DHABRN COc1cc(C)c(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC ZINC000008770187 563927464 /nfs/dbraw/zinc/92/74/64/563927464.db2.gz HHIOFIFJDLNRDD-BFHYXJOUSA-N 0 0 303.402 3.777 40 0 DHABRN CC(C)(C)c1ccc(-c2nnc([C@@H](N)c3ccc(F)cc3)[nH]2)cc1 ZINC000095533333 563931861 /nfs/dbraw/zinc/93/18/61/563931861.db2.gz DWZTVVBWUJRXCT-INIZCTEOSA-N 0 0 324.403 3.956 40 0 DHABRN C[C@@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000002518263 563938483 /nfs/dbraw/zinc/93/84/83/563938483.db2.gz WRTZIZLYEBYQAJ-MAUKXSAKSA-N 0 0 323.392 3.770 40 0 DHABRN CC(C)(C)OC(=O)NC[C@@H]1CCCC(=O)[C@H]1c1ccccc1 ZINC000225751150 563938564 /nfs/dbraw/zinc/93/85/64/563938564.db2.gz QRGRWLRFDOFXKK-HOCLYGCPSA-N 0 0 303.402 3.664 40 0 DHABRN Cc1ccc2c(c1)SCC(=O)N2C(=S)NC1CCCCC1 ZINC000028527762 563939608 /nfs/dbraw/zinc/93/96/08/563939608.db2.gz WOBBONGSSDNDCF-UHFFFAOYSA-N 0 0 320.483 3.641 40 0 DHABRN O=C1OC(C(F)(F)F)(C(F)(F)F)CN1C1CCCCC1 ZINC000604221796 563943717 /nfs/dbraw/zinc/94/37/17/563943717.db2.gz JBUVXSPGTFYDTJ-UHFFFAOYSA-N 0 0 305.218 3.635 40 0 DHABRN CCCCc1cc(C[C@@H]2C[C@H](NC(=O)NC(C)C)C2(C)C)no1 ZINC000067889854 563950655 /nfs/dbraw/zinc/95/06/55/563950655.db2.gz GCEIOBPFFIPUKL-CJNGLKHVSA-N 0 0 321.465 3.682 40 0 biogenic,in-vitro DHABRN CC(C)(C)Nc1nc(Nc2ccccc2)cc(C(F)(F)F)n1 ZINC000329036914 563959700 /nfs/dbraw/zinc/95/97/00/563959700.db2.gz RLCWVLGLBLSGRH-UHFFFAOYSA-N 0 0 310.323 4.449 40 0 DHABRN Fc1ccc(F)c(Nc2cc(Cl)nc(-c3ccccn3)n2)c1 ZINC000329061727 563959776 /nfs/dbraw/zinc/95/97/76/563959776.db2.gz WSVYWTLOPAMFIC-UHFFFAOYSA-N 0 0 318.714 4.214 40 0 DHABRN CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)n1 ZINC000329063823 563960020 /nfs/dbraw/zinc/96/00/20/563960020.db2.gz XFKBYPVRWVRCOE-UHFFFAOYSA-N 0 0 320.343 4.131 40 0 DHABRN COc1ccc(C[C@H]2CCCN=C2c2cccnc2)c(OC)c1 ZINC000049808163 563961619 /nfs/dbraw/zinc/96/16/19/563961619.db2.gz ODLOPYOPLAYOCA-OAHLLOKOSA-N 0 0 310.397 3.541 40 0 DHABRN Brc1ccc(-c2cc(Br)ncn2)cc1 ZINC000160933176 568415860 /nfs/dbraw/zinc/41/58/60/568415860.db2.gz INUUMDHSMQGVLF-UHFFFAOYSA-N 0 0 313.980 3.669 40 0 DHABRN COc1ccc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000008493923 568416375 /nfs/dbraw/zinc/41/63/75/568416375.db2.gz MLGMRDLJPLECSJ-UHFFFAOYSA-N 0 0 315.760 3.809 40 0 DHABRN COc1cccc(/C=C/c2nc3ccccc3n2C)c1OC(C)=O ZINC000255190235 568417057 /nfs/dbraw/zinc/41/70/57/568417057.db2.gz VTRIFIOVHUACLW-VAWYXSNFSA-N 0 0 322.364 3.678 40 0 DHABRN S=C(NC[C@H]1CCCO1)Nc1ccccc1-c1ccccc1 ZINC000002776620 1014340568 /nfs/dbraw/zinc/34/05/68/1014340568.db2.gz RHMPLLGMYUGASA-OAHLLOKOSA-N 0 0 312.438 3.819 40 0 DHABRN Cc1cccc(CSCCNC(=O)c2ccc(F)cc2)c1 ZINC000219036865 1019318046 /nfs/dbraw/zinc/31/80/46/1019318046.db2.gz CIVWBJHWAOTVTP-UHFFFAOYSA-N 0 0 303.402 3.797 40 0 DHABRN CCCOc1ccccc1C(=O)Nc1ccc(OC)cc1OC ZINC000253373360 1021475333 /nfs/dbraw/zinc/47/53/33/1021475333.db2.gz IOMFPVSZZIEBHK-UHFFFAOYSA-N 0 0 315.369 3.745 40 0 DHABRN CCNC(=O)c1ccc(Nc2cc(Cl)ccc2C)c(N)c1 ZINC000212692911 1022056113 /nfs/dbraw/zinc/05/61/13/1022056113.db2.gz UYZSIMMRVFCZNG-UHFFFAOYSA-N 0 0 303.793 3.724 40 0 DHABRN O=C(CCl)Nc1ccccc1NC(=O)c1ccccc1Cl ZINC000044831488 1024200004 /nfs/dbraw/zinc/20/00/04/1024200004.db2.gz VRAKHKWXQGSIRY-UHFFFAOYSA-N 0 0 323.179 3.770 40 0 DHABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCCCCC1 ZINC000054584045 1025523653 /nfs/dbraw/zinc/52/36/53/1025523653.db2.gz ZCUBNYPPQRORBW-UHFFFAOYSA-N 0 0 316.376 3.816 40 0 DHABRN COc1cccc(OCC(=O)NCc2cccc3ccccc32)c1 ZINC000075475371 1025845251 /nfs/dbraw/zinc/84/52/51/1025845251.db2.gz OHENURQPRRUHFL-UHFFFAOYSA-N 0 0 321.376 3.544 40 0 DHABRN Fc1cccc(F)c1NC(=S)NCCCc1ccccc1 ZINC000225385076 201698727 /nfs/dbraw/zinc/69/87/27/201698727.db2.gz UFQBBGLVZAJPER-UHFFFAOYSA-N 0 0 306.381 3.884 40 0 DHABRN O[C@H](c1cc(F)c(F)c(F)c1)c1ccccc1Br ZINC000095730119 185383340 /nfs/dbraw/zinc/38/33/40/185383340.db2.gz RVGDDAWTURSKAI-CYBMUJFWSA-N 0 0 317.104 3.948 40 0 DHABRN COc1cc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)cc1C ZINC000096659198 185384957 /nfs/dbraw/zinc/38/49/57/185384957.db2.gz GLQSNYHQIYREJT-UHFFFAOYSA-N 0 0 319.426 3.730 40 0 DHABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1F ZINC000096659475 185384973 /nfs/dbraw/zinc/38/49/73/185384973.db2.gz AASGANPZEDLIOV-UHFFFAOYSA-N 0 0 313.781 3.897 40 0 DHABRN O=C(NCCc1ccc(F)cc1)C1(c2ccccc2)CCCC1 ZINC000096648263 185385036 /nfs/dbraw/zinc/38/50/36/185385036.db2.gz SXOHGDXSALFILB-UHFFFAOYSA-N 0 0 311.400 3.996 40 0 DHABRN Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc2c(c1)OCO2 ZINC000225752954 201741138 /nfs/dbraw/zinc/74/11/38/201741138.db2.gz GVLHNLDCYZINMH-GFCCVEGCSA-N 0 0 314.410 3.771 40 0 DHABRN CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cn1 ZINC000225884783 201758979 /nfs/dbraw/zinc/75/89/79/201758979.db2.gz BMNYQIOYWQUABO-UHFFFAOYSA-N 0 0 322.449 3.896 40 0 DHABRN Cc1cc(Oc2ccccc2)nc(NC(=S)NCC(C)C)n1 ZINC000225892878 201759748 /nfs/dbraw/zinc/75/97/48/201759748.db2.gz QVATXLQSUIVYIR-UHFFFAOYSA-N 0 0 316.430 3.520 40 0 DHABRN CCc1ccccc1NC(=O)CCc1c(OC)cccc1OC ZINC000225993984 201764703 /nfs/dbraw/zinc/76/47/03/201764703.db2.gz AXAKPYRNQMDUIT-UHFFFAOYSA-N 0 0 313.397 3.838 40 0 DHABRN Cc1ccccc1COC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072203951 191076102 /nfs/dbraw/zinc/07/61/02/191076102.db2.gz VVHPEEPBHAOAHP-INIZCTEOSA-N 0 0 305.418 3.911 40 0 DHABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(C)cc1 ZINC000072228949 191076908 /nfs/dbraw/zinc/07/69/08/191076908.db2.gz FLFKYQUXOKCRFX-UHFFFAOYSA-N 0 0 320.396 3.699 40 0 DHABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1F ZINC000072228977 191077319 /nfs/dbraw/zinc/07/73/19/191077319.db2.gz YOJIKRXAEUHSTC-UHFFFAOYSA-N 0 0 324.359 3.530 40 0 DHABRN Cc1ccc(NC(=S)NCCCSCc2ccco2)nc1 ZINC000225595288 186281637 /nfs/dbraw/zinc/28/16/37/186281637.db2.gz PLWNUMONPWOZSM-UHFFFAOYSA-N 0 0 321.471 3.593 40 0 DHABRN CSc1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000225603587 186282010 /nfs/dbraw/zinc/28/20/10/186282010.db2.gz HIBIEMXUMYSJTO-UHFFFAOYSA-N 0 0 311.403 3.657 40 0 DHABRN COc1ccccc1CCCNC(=O)c1ccc2c(c1)CCCC2 ZINC000225631761 186284798 /nfs/dbraw/zinc/28/47/98/186284798.db2.gz AVGHEZINFRHWPP-UHFFFAOYSA-N 0 0 323.436 3.937 40 0 DHABRN CC[C@H](CNC(=S)Nc1cc(C)ccn1)Cc1ccccc1 ZINC000225633949 186285389 /nfs/dbraw/zinc/28/53/89/186285389.db2.gz IJWBYRGYGODTGI-HNNXBMFYSA-N 0 0 313.470 3.945 40 0 DHABRN COc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C ZINC000225637998 186285804 /nfs/dbraw/zinc/28/58/04/186285804.db2.gz PQDCRMFTKLHRPI-XIKOKIGWSA-N 0 0 305.418 3.846 40 0 DHABRN CCC(C)(C)NC(=S)Nc1cccc(Br)c1 ZINC000225644082 186286312 /nfs/dbraw/zinc/28/63/12/186286312.db2.gz XTRUBAFALKRVQO-UHFFFAOYSA-N 0 0 301.253 3.924 40 0 DHABRN CC(C)N1CCOC[C@H]1c1nc(-c2ccc(Cl)s2)c[nH]1 ZINC000072321979 191122256 /nfs/dbraw/zinc/12/22/56/191122256.db2.gz CQQROEIBXSQUNJ-NSHDSACASA-N 0 0 311.838 3.573 40 0 biogenic,in-vitro DHABRN Cc1cc(-c2cnc(NCc3cccs3)nc2C2CC2)on1 ZINC000072340343 191126965 /nfs/dbraw/zinc/12/69/65/191126965.db2.gz SCZKSLURTFYZRZ-UHFFFAOYSA-N 0 0 312.398 3.991 40 0 DHABRN CC(=O)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359312 191130930 /nfs/dbraw/zinc/13/09/30/191130930.db2.gz MUICXRZRGJFKLU-UHFFFAOYSA-N 0 0 315.804 3.523 40 0 DHABRN CC(=O)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359313 191131030 /nfs/dbraw/zinc/13/10/30/191131030.db2.gz AOYTZADKTICWCD-AWEZNQCLSA-N 0 0 315.804 3.523 40 0 DHABRN COc1ccccc1-c1ccc(C[C@H]2CCCN(C(C)=O)C2)cn1 ZINC000072360726 191131431 /nfs/dbraw/zinc/13/14/31/191131431.db2.gz SEPSGFIZEVJPKI-QGZVFWFLSA-N 0 0 324.424 3.558 40 0 DHABRN COc1ccc(OCc2ccccc2)c(/C=C2/N=C(C)OC2=O)c1 ZINC000000207287 180725617 /nfs/dbraw/zinc/72/56/17/180725617.db2.gz MCGSSDQQJYZTDJ-GZTJUZNOSA-N 0 0 323.348 3.590 40 0 DHABRN CCOc1ccc2[nH]c(=O)c(CNc3ccccc3C)cc2c1 ZINC000000421129 180783879 /nfs/dbraw/zinc/78/38/79/180783879.db2.gz UWSPDXXBCGTSEC-UHFFFAOYSA-N 0 0 308.381 3.847 40 0 DHABRN O=C(CCc1ccccc1)Nc1nnc(-c2cccs2)s1 ZINC000001356281 180856069 /nfs/dbraw/zinc/85/60/69/180856069.db2.gz NCBZRRRJVYSHJM-UHFFFAOYSA-N 0 0 315.423 3.838 40 0 DHABRN COc1ccc(C(=O)Oc2ccccc2Br)cc1 ZINC000001596287 180876752 /nfs/dbraw/zinc/87/67/52/180876752.db2.gz ORFYGTUGIKBPIC-UHFFFAOYSA-N 0 0 307.143 3.677 40 0 DHABRN O=S(=O)(Nc1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000001727950 180892432 /nfs/dbraw/zinc/89/24/32/180892432.db2.gz HEVYWLDOYPNSRY-UHFFFAOYSA-N 0 0 309.390 3.739 40 0 DHABRN COC(=O)/C=C/c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 ZINC000001855612 180899282 /nfs/dbraw/zinc/89/92/82/180899282.db2.gz LMFDBWKYNJXUEE-VQHVLOKHSA-N 0 0 304.389 3.757 40 0 DHABRN Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1Cl ZINC000003443791 181020336 /nfs/dbraw/zinc/02/03/36/181020336.db2.gz AQOBXTDEUAAZHC-UHFFFAOYSA-N 0 0 324.207 3.997 40 0 DHABRN COc1ccc(C)cc1NC(=O)COc1cccc(Cl)c1 ZINC000003516012 181029186 /nfs/dbraw/zinc/02/91/86/181029186.db2.gz XUSDJGAPFOBOPX-UHFFFAOYSA-N 0 0 305.761 3.675 40 0 DHABRN COc1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1 ZINC000003562305 181035214 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Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000019075262 182104082 /nfs/dbraw/zinc/10/40/82/182104082.db2.gz LTMJUKDTJBCEMN-YOEHRIQHSA-N 0 0 307.459 3.584 40 0 DHABRN Cc1cc(C(F)(F)F)nc2nc(NC(=O)C(C)(C)C)ccc12 ZINC000019118918 182105468 /nfs/dbraw/zinc/10/54/68/182105468.db2.gz VKEWCHCPRNEDTR-UHFFFAOYSA-N 0 0 311.307 3.942 40 0 DHABRN Cc1ccc(-c2cc([C@@H]3CCN(C(=O)CC(C)C)C3)[nH]n2)cc1 ZINC000019212072 182107023 /nfs/dbraw/zinc/10/70/23/182107023.db2.gz JOACQPVJLDISMP-MRXNPFEDSA-N 0 0 311.429 3.747 40 0 DHABRN Nc1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000019231185 182109615 /nfs/dbraw/zinc/10/96/15/182109615.db2.gz VYIFZTMZZVPTRH-UHFFFAOYSA-N 0 0 300.667 3.592 40 0 DHABRN O=C(C1CCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019405467 182121429 /nfs/dbraw/zinc/12/14/29/182121429.db2.gz ZNRZGTUVAIYTPE-KRWDZBQOSA-N 0 0 324.428 3.716 40 0 DHABRN CCc1cc(C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)cs1 ZINC000019522130 182127458 /nfs/dbraw/zinc/12/74/58/182127458.db2.gz FJPZFHFWEPJWPQ-GFCCVEGCSA-N 0 0 319.426 3.516 40 0 DHABRN Cc1ccc2[nH]nc(C(=O)N3CC[C@H](c4ccccc4)C3)c2c1 ZINC000019657084 182135423 /nfs/dbraw/zinc/13/54/23/182135423.db2.gz GEVYKZVGJAJRKC-HNNXBMFYSA-N 0 0 305.381 3.501 40 0 DHABRN COCc1c2c(nc3cc(-c4ccc(F)cc4)nn31)CCCC2 ZINC000019594267 182132737 /nfs/dbraw/zinc/13/27/37/182132737.db2.gz FTZSIXZAMFOAFQ-UHFFFAOYSA-N 0 0 311.360 3.561 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c(F)c1F ZINC000020029700 182181163 /nfs/dbraw/zinc/18/11/63/182181163.db2.gz FOZWBFKRXCSWQT-SECBINFHSA-N 0 0 309.287 3.604 40 0 DHABRN CCCc1nnc(SCc2nnc(-c3cccc(C)c3)o2)o1 ZINC000020033886 182182309 /nfs/dbraw/zinc/18/23/09/182182309.db2.gz BWVMGTQEKMBNFD-UHFFFAOYSA-N 0 0 316.386 3.673 40 0 DHABRN COc1ccc(CO)cc1OCc1cccc(Br)c1 ZINC000020032379 182182419 /nfs/dbraw/zinc/18/24/19/182182419.db2.gz PBUAECDGVFLBRE-UHFFFAOYSA-N 0 0 323.186 3.529 40 0 DHABRN Cc1ccc(CC(=O)NCCSCc2ccccc2F)cc1 ZINC000020043020 182182737 /nfs/dbraw/zinc/18/27/37/182182737.db2.gz MSYXSTJKUCBEDJ-UHFFFAOYSA-N 0 0 317.429 3.726 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)NCCSC(C)(C)C)c1C ZINC000020042324 182182757 /nfs/dbraw/zinc/18/27/57/182182757.db2.gz BWIZNSKYEBCEPJ-AWEZNQCLSA-N 0 0 309.475 3.719 40 0 DHABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccccc1 ZINC000020137095 182191168 /nfs/dbraw/zinc/19/11/68/182191168.db2.gz YYZAIYRZRCLREF-UHFFFAOYSA-N 0 0 321.376 3.929 40 0 DHABRN Cc1ccc(C)c2nc(SCCN3CCOCC3)c(C)cc12 ZINC000020151159 182192580 /nfs/dbraw/zinc/19/25/80/182192580.db2.gz XOIYBOXMAWCILN-UHFFFAOYSA-N 0 0 316.470 3.584 40 0 DHABRN COc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1Cl ZINC000020193828 182195865 /nfs/dbraw/zinc/19/58/65/182195865.db2.gz YLIWZNHPWPYLPR-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN COc1ccc(OC)c(CC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000020447819 182217876 /nfs/dbraw/zinc/21/78/76/182217876.db2.gz HYYSZSVOLOLHGL-UHFFFAOYSA-N 0 0 319.788 3.847 40 0 DHABRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000020450141 182218673 /nfs/dbraw/zinc/21/86/73/182218673.db2.gz BASXEIJSWCKBNZ-AWEZNQCLSA-N 0 0 313.397 3.514 40 0 DHABRN O=C(NC1CC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020456171 182219306 /nfs/dbraw/zinc/21/93/06/182219306.db2.gz MWBSOQIGUOKMHZ-UHFFFAOYSA-N 0 0 313.422 3.750 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1OC ZINC000020455689 182219310 /nfs/dbraw/zinc/21/93/10/182219310.db2.gz QUOACVUBXBPJHW-LBPRGKRZSA-N 0 0 317.410 3.823 40 0 DHABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCc1ccccc1 ZINC000020455655 182219453 /nfs/dbraw/zinc/21/94/53/182219453.db2.gz RGSKMLHVSSGZHC-INIZCTEOSA-N 0 0 317.816 3.856 40 0 DHABRN CCC[C@@H](C)NC(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000020456750 182219456 /nfs/dbraw/zinc/21/94/56/182219456.db2.gz CYSOUHACNFAPHB-CQSZACIVSA-N 0 0 307.434 3.721 40 0 DHABRN COc1cccc(OC)c1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000020458404 182220155 /nfs/dbraw/zinc/22/01/55/182220155.db2.gz OELDCURTWLETNS-UHFFFAOYSA-N 0 0 319.788 3.629 40 0 DHABRN C[C@H]1CCc2onc(C(=O)Nc3nc4ccccc4s3)c2C1 ZINC000020572164 182233899 /nfs/dbraw/zinc/23/38/99/182233899.db2.gz ITKDQJDNYVTETI-VIFPVBQESA-N 0 0 313.382 3.661 40 0 DHABRN C[C@@H]1CCc2onc(C(=O)Nc3nc4ccccc4s3)c2C1 ZINC000020572163 182233995 /nfs/dbraw/zinc/23/39/95/182233995.db2.gz ITKDQJDNYVTETI-SECBINFHSA-N 0 0 313.382 3.661 40 0 DHABRN COc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)cc1Cl ZINC000020572118 182234109 /nfs/dbraw/zinc/23/41/09/182234109.db2.gz YMRTUDQERNKCFR-VIFPVBQESA-N 0 0 320.776 3.714 40 0 DHABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 ZINC000020495804 182224870 /nfs/dbraw/zinc/22/48/70/182224870.db2.gz NFGWUPPKWUAVHD-DYVFJYSZSA-N 0 0 301.361 3.861 40 0 DHABRN Cc1cccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000021785023 182288622 /nfs/dbraw/zinc/28/86/22/182288622.db2.gz NYTZIXGITLZYIP-JXMROGBWSA-N 0 0 315.800 3.857 40 0 DHABRN O=C(NCCOc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000021904419 182297361 /nfs/dbraw/zinc/29/73/61/182297361.db2.gz ARJOIZCHJINPLQ-UHFFFAOYSA-N 0 0 310.180 3.802 40 0 DHABRN c1ccc(C(c2nn[nH]n2)(c2ccccc2)c2ccccc2)cc1 ZINC000021999837 182302806 /nfs/dbraw/zinc/30/28/06/182302806.db2.gz ABPZRLQZVHPPCT-UHFFFAOYSA-N 0 0 312.376 3.582 40 0 DHABRN O=C(NCc1ccccc1)c1cccnc1Nc1cccc(F)c1 ZINC000022071975 182307914 /nfs/dbraw/zinc/30/79/14/182307914.db2.gz CWSPSFXIIOKFTN-UHFFFAOYSA-N 0 0 321.355 3.894 40 0 DHABRN O=Cc1ccccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000022120738 182309183 /nfs/dbraw/zinc/30/91/83/182309183.db2.gz SNQGKKSMNRFFPB-UHFFFAOYSA-N 0 0 314.728 3.782 40 0 DHABRN CSc1ccccc1NC(=O)c1cnc2ccccc2c1O ZINC000022233980 182314275 /nfs/dbraw/zinc/31/42/75/182314275.db2.gz AZXTVRZCCHGDEA-UHFFFAOYSA-N 0 0 310.378 3.502 40 0 DHABRN Cc1ccc(C)c(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c1 ZINC000022236221 182314338 /nfs/dbraw/zinc/31/43/38/182314338.db2.gz PCXMFAYHKHGLOK-UHFFFAOYSA-N 0 0 324.355 3.547 40 0 DHABRN CCN(CC)C(=O)c1sc(Nc2ccc(F)cc2)nc1C ZINC000022245938 182314986 /nfs/dbraw/zinc/31/49/86/182314986.db2.gz ACMDHSUWVUZZHX-UHFFFAOYSA-N 0 0 307.394 3.816 40 0 DHABRN CC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)cc1Cl ZINC000022534201 182325658 /nfs/dbraw/zinc/32/56/58/182325658.db2.gz KLCBEYRFOQXLCV-NBVRZTHBSA-N 0 0 309.196 3.793 40 0 DHABRN COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000022529223 182324967 /nfs/dbraw/zinc/32/49/67/182324967.db2.gz VFKVDUSNJPETLC-HUUCEWRRSA-N 0 0 313.397 3.648 40 0 DHABRN CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000022533679 182325428 /nfs/dbraw/zinc/32/54/28/182325428.db2.gz XYOQHYJQIIEIPP-INIZCTEOSA-N 0 0 303.789 3.986 40 0 DHABRN Cc1ccc(S[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000023244264 182353868 /nfs/dbraw/zinc/35/38/68/182353868.db2.gz IPABTFXONYVADR-AWEZNQCLSA-N 0 0 317.429 3.974 40 0 DHABRN COc1cccc(NC(=O)CSCc2ccccc2F)c1 ZINC000023410840 182359849 /nfs/dbraw/zinc/35/98/49/182359849.db2.gz DSALQKVMQAYXLA-UHFFFAOYSA-N 0 0 305.374 3.706 40 0 DHABRN CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc(C)n1 ZINC000027975725 182501635 /nfs/dbraw/zinc/50/16/35/182501635.db2.gz ZTIMBWIGCIMULA-KRWDZBQOSA-N 0 0 310.397 3.675 40 0 DHABRN C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)n1ccc(C(F)(F)F)n1 ZINC000027973922 182500810 /nfs/dbraw/zinc/50/08/10/182500810.db2.gz JOPMCQNOFDTIOF-JTQLQIEISA-N 0 0 323.318 3.590 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1 ZINC000030859474 182600305 /nfs/dbraw/zinc/60/03/05/182600305.db2.gz VLMPFBNDOXHCCE-UHFFFAOYSA-N 0 0 311.381 3.661 40 0 DHABRN COc1cc(OC)cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000032109883 182636174 /nfs/dbraw/zinc/63/61/74/182636174.db2.gz OJFXQKVYFHRGRT-JSGCOSHPSA-N 0 0 305.418 3.648 40 0 DHABRN O=C(Nc1cnn(Cc2cccc3ccccc32)c1)C1CCC1 ZINC000032609613 182650400 /nfs/dbraw/zinc/65/04/00/182650400.db2.gz SARAFGCPRDKCQA-UHFFFAOYSA-N 0 0 305.381 3.823 40 0 DHABRN Cc1cccc(-c2nc(CC(=O)Nc3cc(C)ccc3C)no2)c1 ZINC000035316246 182770869 /nfs/dbraw/zinc/77/08/69/182770869.db2.gz DNKMSQGFYAPPCR-UHFFFAOYSA-N 0 0 321.380 3.843 40 0 DHABRN COC(=O)c1c(COCc2ccccc2Cl)cccc1OC ZINC000035973504 182790956 /nfs/dbraw/zinc/79/09/56/182790956.db2.gz CJECJVHNTHJQSC-UHFFFAOYSA-N 0 0 320.772 3.852 40 0 DHABRN Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccccc3C)C2=O)c(C)c1 ZINC000036635380 182831411 /nfs/dbraw/zinc/83/14/11/182831411.db2.gz GSTDJNICKGNTRY-INIZCTEOSA-N 0 0 322.408 3.664 40 0 DHABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(F)cc1 ZINC000038754976 183008671 /nfs/dbraw/zinc/00/86/71/183008671.db2.gz CBABDTVJEQZYDF-QGZVFWFLSA-N 0 0 315.388 3.916 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000038832880 183011590 /nfs/dbraw/zinc/01/15/90/183011590.db2.gz NMHAYAZIIBAAMY-OAHLLOKOSA-N 0 0 319.408 3.731 40 0 DHABRN CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Br ZINC000039651680 183021573 /nfs/dbraw/zinc/02/15/73/183021573.db2.gz UCCIFVNIAMAXLD-UHFFFAOYSA-N 0 0 302.555 3.761 40 0 DHABRN COC(=O)c1cccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c1C ZINC000039953698 183023942 /nfs/dbraw/zinc/02/39/42/183023942.db2.gz ROSRTGNXCCHPIF-HNNXBMFYSA-N 0 0 319.401 3.854 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](COc2ccc(Cl)cc2)C1 ZINC000039954528 183024416 /nfs/dbraw/zinc/02/44/16/183024416.db2.gz XYXQKISHQRBIIY-LBPRGKRZSA-N 0 0 311.809 3.976 40 0 DHABRN OCCCc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417831 183063539 /nfs/dbraw/zinc/06/35/39/183063539.db2.gz AHGOPTQMUJONFI-UHFFFAOYSA-N 0 0 300.789 3.663 40 0 DHABRN CC(C)(Cc1ccccc1)NC(=O)CCCOc1ccccc1 ZINC000040621039 183109398 /nfs/dbraw/zinc/10/93/98/183109398.db2.gz XYIPOUFSXZVYLI-UHFFFAOYSA-N 0 0 311.425 3.983 40 0 DHABRN COC(=O)c1ccc(Nc2ccc(Br)cc2)c(N)c1 ZINC000041081532 183163594 /nfs/dbraw/zinc/16/35/94/183163594.db2.gz PAPIRJDLJGCRKH-UHFFFAOYSA-N 0 0 321.174 3.562 40 0 DHABRN O=C(COc1ccc2c(c1)CCCC2)N1CCc2ccccc21 ZINC000041539840 183200211 /nfs/dbraw/zinc/20/02/11/183200211.db2.gz KOQRGNACDMFHGH-UHFFFAOYSA-N 0 0 307.393 3.534 40 0 DHABRN Fc1ccccc1CN(CCCn1ccnc1)Cc1ccncc1 ZINC000043277828 183350538 /nfs/dbraw/zinc/35/05/38/183350538.db2.gz UVSSMRCKMBMZJO-UHFFFAOYSA-N 0 0 324.403 3.510 40 0 DHABRN Nc1ccccc1-c1nc(-c2ccccc2Br)no1 ZINC000043560584 183370702 /nfs/dbraw/zinc/37/07/02/183370702.db2.gz CSUIPSHBZJZOKM-UHFFFAOYSA-N 0 0 316.158 3.748 40 0 DHABRN COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)OC(=O)CC[C@@H]12 ZINC000104308221 193998131 /nfs/dbraw/zinc/99/81/31/193998131.db2.gz INHMMEWBTMZXLR-LSTDLKDCSA-N 0 0 300.398 3.847 40 0 DHABRN CCOc1ccccc1CNC(=S)Nc1cccc(C)c1 ZINC000053521449 183905277 /nfs/dbraw/zinc/90/52/77/183905277.db2.gz XWFZTNSQSFNRMS-UHFFFAOYSA-N 0 0 300.427 3.880 40 0 DHABRN COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1N ZINC000057340403 184033761 /nfs/dbraw/zinc/03/37/61/184033761.db2.gz AYZXJAZUCGORHN-UHFFFAOYSA-N 0 0 322.364 3.692 40 0 DHABRN COC(=O)c1ccc(-c2ccc(Br)cc2OC)o1 ZINC000057353753 184035460 /nfs/dbraw/zinc/03/54/60/184035460.db2.gz FVPPJPCGMSCAAM-UHFFFAOYSA-N 0 0 311.131 3.504 40 0 DHABRN Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000059267358 184136224 /nfs/dbraw/zinc/13/62/24/184136224.db2.gz VVTXQHYVNNERJE-CYBMUJFWSA-N 0 0 303.789 3.732 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000059267357 184136411 /nfs/dbraw/zinc/13/64/11/184136411.db2.gz VVTXQHYVNNERJE-ZDUSSCGKSA-N 0 0 303.789 3.732 40 0 DHABRN O=C(c1cc(Cl)c(Br)c(Cl)c1)N1CCCC1 ZINC000059842930 184141553 /nfs/dbraw/zinc/14/15/53/184141553.db2.gz MZJGJRKROCOUFD-UHFFFAOYSA-N 0 0 323.017 3.992 40 0 DHABRN CCc1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000060966843 184159025 /nfs/dbraw/zinc/15/90/25/184159025.db2.gz YLHSSKDWCFRDFX-MRXNPFEDSA-N 0 0 311.425 3.765 40 0 DHABRN O=C(Cc1ccccc1Cl)NCCCOC1CCCCC1 ZINC000061547101 184173904 /nfs/dbraw/zinc/17/39/04/184173904.db2.gz XBYOLUWRMGPAMQ-UHFFFAOYSA-N 0 0 309.837 3.738 40 0 DHABRN Cc1ccccc1OC[C@@H](C)NC(=O)CSc1ccccc1 ZINC000065720556 184377702 /nfs/dbraw/zinc/37/77/02/184377702.db2.gz SEBRADLZOKDFGV-OAHLLOKOSA-N 0 0 315.438 3.671 40 0 DHABRN COC(=O)CN1CCc2sc(-c3ccccc3Cl)cc2C1 ZINC000065731336 184377862 /nfs/dbraw/zinc/37/78/62/184377862.db2.gz UBPQCUWNIJJPNX-UHFFFAOYSA-N 0 0 321.829 3.600 40 0 DHABRN O=C(CCCOc1ccc(Cl)cc1)NCc1ccccc1 ZINC000005773413 256519765 /nfs/dbraw/zinc/51/97/65/256519765.db2.gz AEQIOIREQMNYAO-UHFFFAOYSA-N 0 0 303.789 3.815 40 0 DHABRN O[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1 ZINC000072225810 257123832 /nfs/dbraw/zinc/12/38/32/257123832.db2.gz CNMOQBGZKUWOST-FQEVSTJZSA-N 0 0 302.377 3.858 40 0 DHABRN 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O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000011960327 563360747 /nfs/dbraw/zinc/36/07/47/563360747.db2.gz OTVJXTAAEKIZNU-IBGZPJMESA-N 0 0 309.409 3.767 40 0 DHABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116109 563361604 /nfs/dbraw/zinc/36/16/04/563361604.db2.gz AOFKMPZTIVAHCC-QGZVFWFLSA-N 0 0 323.371 3.608 40 0 DHABRN C[C@@H]1CCCCN1C(=O)CCn1c(C(F)F)cc2cccnc21 ZINC000012187262 563363955 /nfs/dbraw/zinc/36/39/55/563363955.db2.gz MZPPNKMCVXJLTF-GFCCVEGCSA-N 0 0 321.371 3.765 40 0 DHABRN C=COCCCNc1ncc(-c2cc(C)no2)c(C(C)C)n1 ZINC000012186878 563364136 /nfs/dbraw/zinc/36/41/36/563364136.db2.gz KPIAQZVKTDUNKM-UHFFFAOYSA-N 0 0 302.378 3.526 40 0 DHABRN Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)c3ccccn3)nc2c1 ZINC000012221582 563364755 /nfs/dbraw/zinc/36/47/55/563364755.db2.gz LYEPCAVIQZVIPG-KRWDZBQOSA-N 0 0 320.396 3.634 40 0 DHABRN CCN1c2cc(C(=O)c3cccs3)ccc2OC(C)(C)C1=O ZINC000012275136 563365247 /nfs/dbraw/zinc/36/52/47/563365247.db2.gz LJFUMQKWUUQIEI-UHFFFAOYSA-N 0 0 315.394 3.503 40 0 DHABRN COc1cc2c(cc1CN1CCc3sccc3[C@H]1C)OCO2 ZINC000012241070 563365678 /nfs/dbraw/zinc/36/56/78/563365678.db2.gz RRHJUWYMVSPWTP-LLVKDONJSA-N 0 0 317.410 3.605 40 0 DHABRN Cc1cccc(CS(=O)(=O)NCCC2CCCCCC2)c1 ZINC000013646747 563384302 /nfs/dbraw/zinc/38/43/02/563384302.db2.gz WEDIPEYZNOCQIL-UHFFFAOYSA-N 0 0 309.475 3.775 40 0 DHABRN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000013649817 563384503 /nfs/dbraw/zinc/38/45/03/563384503.db2.gz JFNIKFUZLJNKOH-GFCCVEGCSA-N 0 0 301.773 3.697 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(C)c1 ZINC000013646086 563384529 /nfs/dbraw/zinc/38/45/29/563384529.db2.gz WMMGAORJIFGMHY-UHFFFAOYSA-N 0 0 301.317 3.563 40 0 DHABRN Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H](C)C2)cc(C)c1Cl ZINC000013676111 563385325 /nfs/dbraw/zinc/38/53/25/563385325.db2.gz XOUASRJDMGZXOV-BXUZGUMPSA-N 0 0 309.837 3.983 40 0 DHABRN Cc1ccc(CC(=O)NCCSCc2ccccc2)cc1C ZINC000013677727 563385609 /nfs/dbraw/zinc/38/56/09/563385609.db2.gz KGKMSZIKVGEPPV-UHFFFAOYSA-N 0 0 313.466 3.896 40 0 DHABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1 ZINC000013688992 563386132 /nfs/dbraw/zinc/38/61/32/563386132.db2.gz RGNWAZONWULDLY-OAHLLOKOSA-N 0 0 305.377 3.924 40 0 DHABRN CC(C)(C)c1ccccc1NS(=O)(=O)Cc1ccccc1 ZINC000014256383 563399409 /nfs/dbraw/zinc/39/94/09/563399409.db2.gz LEWOYPYGQKNYJR-UHFFFAOYSA-N 0 0 303.427 3.926 40 0 DHABRN COc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(CO)o1 ZINC000020137373 563416065 /nfs/dbraw/zinc/41/60/65/563416065.db2.gz NTGHWGFATCFZQP-UHFFFAOYSA-N 0 0 323.348 3.700 40 0 DHABRN N=C1S[C@H](c2cccc(F)c2)CC(=O)N1c1ccccc1 ZINC000012374367 563422883 /nfs/dbraw/zinc/42/28/83/563422883.db2.gz ZRMHTIIYLRXCER-AWEZNQCLSA-N 0 0 300.358 3.972 40 0 DHABRN Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 ZINC000027377146 563428177 /nfs/dbraw/zinc/42/81/77/563428177.db2.gz IUGDYUGLUUGVJC-UHFFFAOYSA-N 0 0 324.424 3.942 40 0 DHABRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2F)c(C)c1 ZINC000030861535 563439360 /nfs/dbraw/zinc/43/93/60/563439360.db2.gz QTMFXOFFXFZVOB-CQSZACIVSA-N 0 0 321.417 3.623 40 0 DHABRN O=C(c1cccnc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031389167 563440320 /nfs/dbraw/zinc/44/03/20/563440320.db2.gz YIZVGJQXGOAWKP-CQSZACIVSA-N 0 0 309.394 3.669 40 0 DHABRN CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1OC ZINC000068933415 563445705 /nfs/dbraw/zinc/44/57/05/563445705.db2.gz UBPIPTIUFRHVGN-UHFFFAOYSA-N 0 0 303.333 3.794 40 0 DHABRN Cc1occc1C(=O)N1CCc2cc(Br)ccc21 ZINC000049342658 563467370 /nfs/dbraw/zinc/46/73/70/563467370.db2.gz FMEXAGQQSXHCMX-UHFFFAOYSA-N 0 0 306.159 3.553 40 0 DHABRN COc1cccc(NC(=O)OC(C)(C)C)c1C(=O)C(F)(F)F ZINC000036471809 563455516 /nfs/dbraw/zinc/45/55/16/563455516.db2.gz NILAYBMYUJSRQH-UHFFFAOYSA-N 0 0 319.279 3.787 40 0 DHABRN CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000036635571 563456664 /nfs/dbraw/zinc/45/66/64/563456664.db2.gz GMODJMZZRWEBPO-GOSISDBHSA-N 0 0 322.408 3.610 40 0 DHABRN CCc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1 ZINC000036635567 563456674 /nfs/dbraw/zinc/45/66/74/563456674.db2.gz IDSMOZGKNDYSOV-SFHVURJKSA-N 0 0 322.408 3.610 40 0 DHABRN CCc1ccc(N2C(=O)C[C@H](Nc3ccccc3CC)C2=O)cc1 ZINC000036635573 563456686 /nfs/dbraw/zinc/45/66/86/563456686.db2.gz BPAXIRZDNDJAGH-SFHVURJKSA-N 0 0 322.408 3.555 40 0 DHABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C ZINC000044841611 563462245 /nfs/dbraw/zinc/46/22/45/563462245.db2.gz NLQWHZQTLBEBOB-NSHDSACASA-N 0 0 315.866 3.755 40 0 DHABRN CCOc1ccccc1CNC(=O)Cc1ccc(Cl)cc1 ZINC000044847112 563462910 /nfs/dbraw/zinc/46/29/10/563462910.db2.gz HMQRJPUBSNJHCD-UHFFFAOYSA-N 0 0 303.789 3.598 40 0 DHABRN C[C@H](NC(=O)CCCOc1ccccc1)c1ccc(F)cc1 ZINC000049930136 563467996 /nfs/dbraw/zinc/46/79/96/563467996.db2.gz AAWPBCPCDUUWEY-AWEZNQCLSA-N 0 0 301.361 3.862 40 0 DHABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccco2)c1 ZINC000049890972 563468319 /nfs/dbraw/zinc/46/83/19/563468319.db2.gz FLZJYHMFEFXFSW-AWEZNQCLSA-N 0 0 301.386 3.795 40 0 DHABRN CCSc1ccccc1NC(=O)COc1ccccc1F ZINC000055703794 563477294 /nfs/dbraw/zinc/47/72/94/563477294.db2.gz XYXRURILDFDNAU-UHFFFAOYSA-N 0 0 305.374 3.955 40 0 DHABRN Cc1c(C(=O)OC2CCCCC2)nnn1-c1ccc(Cl)cc1 ZINC000036639030 563480110 /nfs/dbraw/zinc/48/01/10/563480110.db2.gz QBNPDJKBJVXOPJ-UHFFFAOYSA-N 0 0 319.792 3.719 40 0 DHABRN O=C(OCc1ccccc1)N1CCC(=O)C[C@H]1Cc1ccccc1 ZINC000089220455 563484366 /nfs/dbraw/zinc/48/43/66/563484366.db2.gz FHWSBHQDWGADKI-GOSISDBHSA-N 0 0 323.392 3.599 40 0 DHABRN CSc1cccc(NC(=O)c2c(C)nc3ccc(C)cn32)c1 ZINC000071459305 563499547 /nfs/dbraw/zinc/49/95/47/563499547.db2.gz LHMOMTWFTCEDBK-UHFFFAOYSA-N 0 0 311.410 3.925 40 0 DHABRN COc1ccc(-c2cc(-c3cccc(C)c3)nc(N)n2)cc1OC ZINC000071978218 563501816 /nfs/dbraw/zinc/50/18/16/563501816.db2.gz XEFJWPDHGSENLK-UHFFFAOYSA-N 0 0 321.380 3.718 40 0 DHABRN Cc1cc(-c2cnc(NCc3ccncc3)nc2C(C)(C)C)on1 ZINC000072341138 563503232 /nfs/dbraw/zinc/50/32/32/563503232.db2.gz DDTLJNVJMDKPCR-UHFFFAOYSA-N 0 0 323.400 3.745 40 0 DHABRN Cc1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 ZINC000082335573 563518693 /nfs/dbraw/zinc/51/86/93/563518693.db2.gz ZCRXWCQHDKCJNV-UHFFFAOYSA-N 0 0 305.337 3.830 40 0 DHABRN CCCC(=O)c1ccc(OCC(=O)OCC)c(Cl)c1Cl ZINC000095864722 563530713 /nfs/dbraw/zinc/53/07/13/563530713.db2.gz PBVGBFWAEFWKMK-UHFFFAOYSA-N 0 0 319.184 3.918 40 0 DHABRN C=Cc1c(Br)cccc1I ZINC000097436588 563539160 /nfs/dbraw/zinc/53/91/60/563539160.db2.gz PWZNTAUGVILSEL-UHFFFAOYSA-N 0 0 308.944 3.697 40 0 DHABRN Nc1ccc(C(=O)Nc2ccccc2OC(F)F)c(Cl)c1 ZINC000037328037 563567656 /nfs/dbraw/zinc/56/76/56/563567656.db2.gz ZTOVNHRVBRWVKS-UHFFFAOYSA-N 0 0 312.703 3.776 40 0 DHABRN CCOc1ccc(-c2nnc(-c3cccc(F)c3)[nH]2)cc1OC ZINC000085384477 563568926 /nfs/dbraw/zinc/56/89/26/563568926.db2.gz ILCFPDMQYRHQOE-UHFFFAOYSA-N 0 0 313.332 3.685 40 0 DHABRN Cc1ccc2c(I)c(F)cc(C)c2n1 ZINC000085399670 563569738 /nfs/dbraw/zinc/56/97/38/563569738.db2.gz RYMHPJREFUZXJC-UHFFFAOYSA-N 0 0 301.102 3.595 40 0 DHABRN CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000000146191 563572656 /nfs/dbraw/zinc/57/26/56/563572656.db2.gz PTYMRIQMPSAKEB-UHFFFAOYSA-N 0 0 304.337 3.565 40 0 DHABRN COc1ccc(OC)c(/C=C/C(=O)N(CC(C)C)CC(C)C)c1 ZINC000000147209 563572865 /nfs/dbraw/zinc/57/28/65/563572865.db2.gz VBAOXWKVQHDSGV-JXMROGBWSA-N 0 0 319.445 3.858 40 0 DHABRN CCOc1ccc(Cl)cc1NC(=O)c1ccc(N)c(C)c1 ZINC000037768714 563573875 /nfs/dbraw/zinc/57/38/75/563573875.db2.gz HPGCVLHDSHWFCK-UHFFFAOYSA-N 0 0 304.777 3.882 40 0 DHABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(F)cc1 ZINC000113959524 563585783 /nfs/dbraw/zinc/58/57/83/563585783.db2.gz ZOAVURSAPPHKCR-QGZVFWFLSA-N 0 0 301.361 3.608 40 0 DHABRN C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O ZINC000118929784 563594138 /nfs/dbraw/zinc/59/41/38/563594138.db2.gz GKHMLMUXODLNKN-AYWFNIBGSA-N 0 0 306.490 3.997 40 0 DHABRN CCCN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000006654753 563594475 /nfs/dbraw/zinc/59/44/75/563594475.db2.gz KHLZBLOLYIYNDY-WWFUZLPXSA-N 0 0 318.354 3.597 40 0 DHABRN CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000260536 563616443 /nfs/dbraw/zinc/61/64/43/563616443.db2.gz IXNCYIBRZBXZJG-AWEZNQCLSA-N 0 0 324.808 3.536 40 0 DHABRN CC(C)NC(=O)CSc1nc(C(C)(C)C)nc2ccccc21 ZINC000001342553 563620305 /nfs/dbraw/zinc/62/03/05/563620305.db2.gz BAWJZNVUPUTRPG-UHFFFAOYSA-N 0 0 317.458 3.544 40 0 DHABRN CC(C)(C)NC(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000001325302 563620324 /nfs/dbraw/zinc/62/03/24/563620324.db2.gz AICRVUYCROVQMB-UHFFFAOYSA-N 0 0 314.863 3.957 40 0 DHABRN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cccs1 ZINC000001352893 563620910 /nfs/dbraw/zinc/62/09/10/563620910.db2.gz WHMMCNGYYCJEJG-UHFFFAOYSA-N 0 0 323.377 3.648 40 0 DHABRN CNc1nc(Nc2cccc(Cl)c2)cc(C(F)(F)F)n1 ZINC000161755452 563627012 /nfs/dbraw/zinc/62/70/12/563627012.db2.gz CZOOSBQIGDILFZ-UHFFFAOYSA-N 0 0 302.687 3.934 40 0 DHABRN O=C(CCc1cccnc1)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1 ZINC000409412762 563628312 /nfs/dbraw/zinc/62/83/12/563628312.db2.gz AGOQOTOIUNIUBI-RMVXJAJNSA-N 0 0 320.436 3.713 40 0 DHABRN Cc1cccc(Nc2ncc(F)c(N3CCCCC3)n2)c1C ZINC000000205447 563628350 /nfs/dbraw/zinc/62/83/50/563628350.db2.gz OXVAUPWVDQTQIV-UHFFFAOYSA-N 0 0 300.381 3.966 40 0 DHABRN CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000000431171 563630332 /nfs/dbraw/zinc/63/03/32/563630332.db2.gz HNTKCFBJYMCWKU-LFIBNONCSA-N 0 0 311.312 3.569 40 0 DHABRN O=c1nc(-c2cccs2)[nH]c2sc3c(c21)CCCCC3 ZINC000003100286 563635967 /nfs/dbraw/zinc/63/59/67/563635967.db2.gz BRAAWRTXPWUHQQ-UHFFFAOYSA-N 0 0 302.424 3.982 40 0 DHABRN CC(=O)c1cccc(NC(=O)c2ccc(N3CCCC3)cc2)c1 ZINC000007383037 563640464 /nfs/dbraw/zinc/64/04/64/563640464.db2.gz IJBUXGQAQMIIGV-UHFFFAOYSA-N 0 0 308.381 3.742 40 0 DHABRN COc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1F ZINC000007360722 563640567 /nfs/dbraw/zinc/64/05/67/563640567.db2.gz YGQSPDMSNXVELX-UHFFFAOYSA-N 0 0 323.389 3.759 40 0 DHABRN Cc1ccc(N2C[C@@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1 ZINC000007657865 563640939 /nfs/dbraw/zinc/64/09/39/563640939.db2.gz FNWLAXKCAZTUSP-INIZCTEOSA-N 0 0 323.392 3.570 40 0 DHABRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C)CC1=O ZINC000007881955 563641151 /nfs/dbraw/zinc/64/11/51/563641151.db2.gz SPWYNODZBMQUHA-MRXNPFEDSA-N 0 0 322.408 3.549 40 0 DHABRN O=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2ccccc21 ZINC000008017902 563641729 /nfs/dbraw/zinc/64/17/29/563641729.db2.gz DTKKKKHOCJAIRF-UHFFFAOYSA-N 0 0 306.152 3.974 40 0 DHABRN CCC(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000009140827 563645010 /nfs/dbraw/zinc/64/50/10/563645010.db2.gz NNGRYZUQUAFQBR-UHFFFAOYSA-N 0 0 310.728 3.582 40 0 DHABRN CCc1ccc(CCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000010338475 563648451 /nfs/dbraw/zinc/64/84/51/563648451.db2.gz BUWVVDKSPNYRPX-UHFFFAOYSA-N 0 0 313.397 3.838 40 0 DHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(F)c1 ZINC000011636875 563650171 /nfs/dbraw/zinc/65/01/71/563650171.db2.gz QQYJYFXKIWEXPQ-INIZCTEOSA-N 0 0 303.333 3.630 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1F ZINC000011636872 563650323 /nfs/dbraw/zinc/65/03/23/563650323.db2.gz IBTOUBMUJDJRTL-MRXNPFEDSA-N 0 0 303.333 3.630 40 0 DHABRN CCc1ccc2[nH]c(=O)c(CNc3ccc(O)cc3C)cc2c1 ZINC000013086658 563655669 /nfs/dbraw/zinc/65/56/69/563655669.db2.gz KTWQERJUUTUJKR-UHFFFAOYSA-N 0 0 308.381 3.717 40 0 DHABRN Cc1cc(C=O)c(C)n1NC(=O)c1ccc(Cl)cc1Cl ZINC000013633486 563662549 /nfs/dbraw/zinc/66/25/49/563662549.db2.gz RPKOIMYHUOCNQS-UHFFFAOYSA-N 0 0 311.168 3.608 40 0 DHABRN COc1ccc2cc(C(=O)N(C)Cc3ccccc3)c(C)nc2c1 ZINC000017334793 563670237 /nfs/dbraw/zinc/67/02/37/563670237.db2.gz DWLCHMBHCJIAKY-UHFFFAOYSA-N 0 0 320.392 3.824 40 0 DHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000014796174 563672376 /nfs/dbraw/zinc/67/23/76/563672376.db2.gz HTDFNXLSMGFNDW-SZGUKTLCSA-N 0 0 322.408 3.867 40 0 DHABRN Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1C ZINC000107701859 563676757 /nfs/dbraw/zinc/67/67/57/563676757.db2.gz OCWQXXMIVRBMGO-UHFFFAOYSA-N 0 0 306.365 3.888 40 0 DHABRN C[C@]12C[C@H](NC(=O)N1c1ccc(F)c(F)c1)c1ccccc1O2 ZINC000004852734 563690534 /nfs/dbraw/zinc/69/05/34/563690534.db2.gz MWJNVTDHVRIJIT-YOEHRIQHSA-N 0 0 316.307 3.734 40 0 DHABRN Fc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)nc1 ZINC000049155343 563700953 /nfs/dbraw/zinc/70/09/53/563700953.db2.gz URHQAEZOCXQOPY-INIZCTEOSA-N 0 0 324.359 3.608 40 0 biogenic,in-vitro DHABRN Cc1ccc(C)c(OCC(=O)n2cc(C=O)c3ccccc32)c1 ZINC000218736646 563717026 /nfs/dbraw/zinc/71/70/26/563717026.db2.gz WGKXUIHUJSUHDL-UHFFFAOYSA-N 0 0 307.349 3.790 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCCc2cccc(C)c2)cc1 ZINC000218971578 563717666 /nfs/dbraw/zinc/71/76/66/563717666.db2.gz DRFRMEDPWMXGNS-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)cc1 ZINC000218971145 563717798 /nfs/dbraw/zinc/71/77/98/563717798.db2.gz WKIPSDYVZONJFT-OAHLLOKOSA-N 0 0 315.388 3.650 40 0 DHABRN Ic1ccccc1C=NNc1ccccc1 ZINC000057582561 563718974 /nfs/dbraw/zinc/71/89/74/563718974.db2.gz LIYBUNPFPKUXMF-XNTDXEJSSA-N 0 0 322.149 3.737 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2)cc1C ZINC000219512044 563719744 /nfs/dbraw/zinc/71/97/44/563719744.db2.gz HXPLKZDATVUSHA-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 ZINC000219956806 563722405 /nfs/dbraw/zinc/72/24/05/563722405.db2.gz KXTWZRUXQJCQQF-HNNXBMFYSA-N 0 0 313.397 3.591 40 0 DHABRN Cc1cccc(CCCNC(=O)Cc2cccc(Cl)c2)c1 ZINC000222568287 563725722 /nfs/dbraw/zinc/72/57/22/563725722.db2.gz CZTBNHKQRJXEKQ-UHFFFAOYSA-N 0 0 301.817 3.940 40 0 DHABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(F)cc2)S1 ZINC000222558590 563725973 /nfs/dbraw/zinc/72/59/73/563725973.db2.gz JVBNWAJNBJPUEQ-UVBJJODRSA-N 0 0 313.401 3.810 40 0 DHABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCC(C)CC1 ZINC000222625705 563726460 /nfs/dbraw/zinc/72/64/60/563726460.db2.gz LGEMJJGBKUIBQV-OAHLLOKOSA-N 0 0 301.430 3.591 40 0 DHABRN COC(=O)c1cn(C(=O)Cc2ccc(C)c(C)c2)c2ccccc12 ZINC000222610502 563726610 /nfs/dbraw/zinc/72/66/10/563726610.db2.gz KKYHVYUREZSJNV-UHFFFAOYSA-N 0 0 321.376 3.928 40 0 DHABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1sccc1C ZINC000222858376 563728746 /nfs/dbraw/zinc/72/87/46/563728746.db2.gz OKRTVEZRODNHQU-UONOGXRCSA-N 0 0 317.483 3.834 40 0 DHABRN Cc1cccc(OCC(=O)NCCCc2ccc(F)cc2)c1C ZINC000222818009 563728792 /nfs/dbraw/zinc/72/87/92/563728792.db2.gz XMEUFFCLQOPQLJ-UHFFFAOYSA-N 0 0 315.388 3.570 40 0 DHABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 ZINC000222903680 563729440 /nfs/dbraw/zinc/72/94/40/563729440.db2.gz IUMFZIOFESBUSW-LSDHHAIUSA-N 0 0 317.483 3.772 40 0 DHABRN CCc1ccc(CC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000223019537 563730705 /nfs/dbraw/zinc/73/07/05/563730705.db2.gz OZLWYUWDZMNGSN-MRXNPFEDSA-N 0 0 311.425 3.684 40 0 DHABRN CC[C@H](NC(=O)Cc1cccs1)c1ccc(OC)c(C)c1 ZINC000223131850 563731152 /nfs/dbraw/zinc/73/11/52/563731152.db2.gz VQYOAYSSSXEMIO-HNNXBMFYSA-N 0 0 303.427 3.875 40 0 DHABRN Cc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1 ZINC000223122482 563731342 /nfs/dbraw/zinc/73/13/42/563731342.db2.gz YROYBEVBFKJHAU-AWEZNQCLSA-N 0 0 317.816 3.775 40 0 DHABRN COc1ccc(C(=O)N2CCCc3ccccc32)cc1Cl ZINC000223220902 563732294 /nfs/dbraw/zinc/73/22/94/563732294.db2.gz CNOLIGMAADAWPI-UHFFFAOYSA-N 0 0 301.773 3.942 40 0 DHABRN CC(C)c1ccccc1OCCNC(=O)NC1CCCCC1 ZINC000223838487 563737258 /nfs/dbraw/zinc/73/72/58/563737258.db2.gz NZHYUWHWSMQWPE-UHFFFAOYSA-N 0 0 304.434 3.821 40 0 DHABRN CCCNC(=S)Nc1ccc(Nc2ccccc2C)nc1 ZINC000223872513 563737280 /nfs/dbraw/zinc/73/72/80/563737280.db2.gz QYSPZJWDOFXGGN-UHFFFAOYSA-N 0 0 300.431 3.830 40 0 DHABRN CCc1ccc([C@H](C)NC(=O)Cc2ccc(OC)c(C)c2)cc1 ZINC000224039334 563738632 /nfs/dbraw/zinc/73/86/32/563738632.db2.gz HVDOHLOTNZZHIH-HNNXBMFYSA-N 0 0 311.425 3.986 40 0 DHABRN Cc1ccc(C)c(OCCNC(=O)c2ccccc2Cl)c1 ZINC000223975584 563738726 /nfs/dbraw/zinc/73/87/26/563738726.db2.gz GMJWIDBNYOAPCK-UHFFFAOYSA-N 0 0 303.789 3.766 40 0 DHABRN O=C(Nc1ccccc1F)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000224055344 563739218 /nfs/dbraw/zinc/73/92/18/563739218.db2.gz QKVUHDDKDYLFJT-UHFFFAOYSA-N 0 0 315.735 3.917 40 0 DHABRN COc1ccc(C(=O)NC(C)C)cc1COc1cccc(C)c1 ZINC000224106385 563739338 /nfs/dbraw/zinc/73/93/38/563739338.db2.gz OVQGLULKOXPFPB-UHFFFAOYSA-N 0 0 313.397 3.721 40 0 DHABRN Cc1ccc(CC(=O)NCCOc2ccc(Cl)cc2)cc1C ZINC000224239307 563740526 /nfs/dbraw/zinc/74/05/26/563740526.db2.gz VGQLINFQVOLFLA-UHFFFAOYSA-N 0 0 317.816 3.695 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C ZINC000224397367 563741214 /nfs/dbraw/zinc/74/12/14/563741214.db2.gz ZABHDTBREJCRKG-CABCVRRESA-N 0 0 313.397 3.648 40 0 DHABRN CCOCc1cc(C(=O)NCCC2=CCCCC2)ccc1OC ZINC000224404822 563741428 /nfs/dbraw/zinc/74/14/28/563741428.db2.gz NHZSCQXOJWAVIW-UHFFFAOYSA-N 0 0 317.429 3.852 40 0 DHABRN COc1ccc(C(=O)NC(C)C)cc1COCc1ccccc1 ZINC000224456805 563742019 /nfs/dbraw/zinc/74/20/19/563742019.db2.gz FFSSKRGDNHCJNW-UHFFFAOYSA-N 0 0 313.397 3.550 40 0 DHABRN CCc1ccc(CCC(=O)NCCOCc2ccccc2)cc1 ZINC000224595772 563742525 /nfs/dbraw/zinc/74/25/25/563742525.db2.gz MPNHYMHWHACHBZ-UHFFFAOYSA-N 0 0 311.425 3.515 40 0 DHABRN CCc1ccc(CC(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000224496136 563742680 /nfs/dbraw/zinc/74/26/80/563742680.db2.gz XASYLTAJBSBEPM-UHFFFAOYSA-N 0 0 311.425 3.895 40 0 DHABRN CCOc1ccc(C(=O)NC)cc1CSc1ccccc1 ZINC000224648504 563743496 /nfs/dbraw/zinc/74/34/96/563743496.db2.gz XFOFMXRXAOLKOQ-UHFFFAOYSA-N 0 0 301.411 3.737 40 0 DHABRN CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000224681587 563743785 /nfs/dbraw/zinc/74/37/85/563743785.db2.gz KIELFFKPNBZMFO-UHFFFAOYSA-N 0 0 303.427 3.827 40 0 DHABRN CCCCOCc1cc(C(=O)N(CC)CC)ccc1OCC ZINC000224729494 563744079 /nfs/dbraw/zinc/74/40/79/563744079.db2.gz PHHLKEZKJDFBRK-UHFFFAOYSA-N 0 0 307.434 3.884 40 0 DHABRN CCc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224707144 563744173 /nfs/dbraw/zinc/74/41/73/563744173.db2.gz XBVDRDVDBGWRTG-UHFFFAOYSA-N 0 0 309.818 3.728 40 0 DHABRN Cc1ccc(CC(=O)Nc2nnc(SC(C)C)s2)cc1 ZINC000224708534 563744301 /nfs/dbraw/zinc/74/43/01/563744301.db2.gz GKYVWUQHVZZOAI-UHFFFAOYSA-N 0 0 307.444 3.528 40 0 DHABRN Cc1ccc(CCC(=O)NCCSCc2ccco2)cc1C ZINC000224889570 563744984 /nfs/dbraw/zinc/74/49/84/563744984.db2.gz OUWZMNVNYCKMSJ-UHFFFAOYSA-N 0 0 317.454 3.879 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 ZINC000224975396 563745629 /nfs/dbraw/zinc/74/56/29/563745629.db2.gz KFSURFVKJPVPPR-INIZCTEOSA-N 0 0 311.425 3.900 40 0 DHABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCC1=CCCCC1 ZINC000225098401 563748449 /nfs/dbraw/zinc/74/84/49/563748449.db2.gz KDCJUMILGZLWKU-OAHLLOKOSA-N 0 0 313.441 3.949 40 0 DHABRN Cc1c(Cl)cccc1N(C)S(=O)(=O)c1cccs1 ZINC000225131413 563749001 /nfs/dbraw/zinc/74/90/01/563749001.db2.gz WVRPNAKRWOUREH-UHFFFAOYSA-N 0 0 301.820 3.535 40 0 DHABRN CC(C)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000225313474 563751333 /nfs/dbraw/zinc/75/13/33/563751333.db2.gz MXCSDFQAKATSEK-UHFFFAOYSA-N 0 0 306.258 3.999 40 0 DHABRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)CC)cc1Cl ZINC000225273145 563751406 /nfs/dbraw/zinc/75/14/06/563751406.db2.gz ZKZAUNJDQCRXGY-SECBINFHSA-N 0 0 314.838 3.602 40 0 DHABRN CCOc1ccc(C(=O)NCc2cccc(C)c2)cc1Cl ZINC000225300038 563751685 /nfs/dbraw/zinc/75/16/85/563751685.db2.gz MSNFEIRZURACOR-UHFFFAOYSA-N 0 0 303.789 3.977 40 0 DHABRN CCCCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000225378411 563753360 /nfs/dbraw/zinc/75/33/60/563753360.db2.gz QKODJQXEFNPPRL-UHFFFAOYSA-N 0 0 314.838 3.603 40 0 DHABRN COc1cccc(Nc2ccc(C(=O)OC(C)C)cc2N)c1 ZINC000225430087 563754764 /nfs/dbraw/zinc/75/47/64/563754764.db2.gz HSOLAGAXBGIXCQ-UHFFFAOYSA-N 0 0 300.358 3.586 40 0 DHABRN CC(C)NC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 ZINC000225449680 563755241 /nfs/dbraw/zinc/75/52/41/563755241.db2.gz LHYURDKVTZRADE-UHFFFAOYSA-N 0 0 303.450 3.932 40 0 DHABRN C[C@@H](CCc1ccccc1)Nc1ccc(C(=O)NC2CC2)cc1N ZINC000225449312 563755353 /nfs/dbraw/zinc/75/53/53/563755353.db2.gz ZJGUEAZUQJLFLH-AWEZNQCLSA-N 0 0 323.440 3.594 40 0 DHABRN Nc1ccc(Nc2ccccc2Cl)c(C(=O)N2CCCC2)c1 ZINC000225470045 563756002 /nfs/dbraw/zinc/75/60/02/563756002.db2.gz IIRQGWAPROGBRI-UHFFFAOYSA-N 0 0 315.804 3.902 40 0 DHABRN Cc1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000225452132 563756110 /nfs/dbraw/zinc/75/61/10/563756110.db2.gz YMAIBNUNZMNCON-UHFFFAOYSA-N 0 0 322.437 3.667 40 0 DHABRN CC[C@@H](NC(=S)Nc1ccc(C)cn1)c1ccc(OC)cc1 ZINC000225490872 563757039 /nfs/dbraw/zinc/75/70/39/563757039.db2.gz AYKKYNXMIRHSGS-OAHLLOKOSA-N 0 0 315.442 3.836 40 0 DHABRN COc1cccc(CCCNC(=S)Nc2ccc(C)cc2)c1 ZINC000225552185 563758739 /nfs/dbraw/zinc/75/87/39/563758739.db2.gz MSFJHMCTHDUBLQ-UHFFFAOYSA-N 0 0 314.454 3.923 40 0 DHABRN CCO[C@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@@H](C)C1 ZINC000225716860 563760654 /nfs/dbraw/zinc/76/06/54/563760654.db2.gz AVGIGBUIXPXZQO-FZKQIMNGSA-N 0 0 305.418 3.928 40 0 DHABRN CCOc1c(C)cc(NC(=O)[C@](C)(OCC)C2CC2)cc1C ZINC000225725205 563761239 /nfs/dbraw/zinc/76/12/39/563761239.db2.gz NBSJZCZCSJHRDW-GOSISDBHSA-N 0 0 305.418 3.846 40 0 DHABRN CCOc1ccc(NC(=O)CCc2ccc(OC)c(C)c2)cc1 ZINC000225741339 563761775 /nfs/dbraw/zinc/76/17/75/563761775.db2.gz MBMUBPQIVHTMAW-UHFFFAOYSA-N 0 0 313.397 3.974 40 0 DHABRN Cc1ccc(-c2nnsc2C(=O)Nc2cccc(F)c2)cc1 ZINC000225773955 563763019 /nfs/dbraw/zinc/76/30/19/563763019.db2.gz PDIKZYSAFPZKHG-UHFFFAOYSA-N 0 0 313.357 3.905 40 0 DHABRN Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCC2)cc1C ZINC000225813611 563763925 /nfs/dbraw/zinc/76/39/25/563763925.db2.gz LPZOAETVOBXFTO-HNNXBMFYSA-N 0 0 321.486 3.863 40 0 DHABRN CCCOc1ncc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C ZINC000225889888 563766587 /nfs/dbraw/zinc/76/65/87/563766587.db2.gz RUEPZLZRILQSHT-FZKQIMNGSA-N 0 0 320.433 3.713 40 0 DHABRN CCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C ZINC000225894274 563766640 /nfs/dbraw/zinc/76/66/40/563766640.db2.gz URXGLUNJUBRZTJ-QGZVFWFLSA-N 0 0 308.422 3.569 40 0 DHABRN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)nc1C ZINC000225904651 563766987 /nfs/dbraw/zinc/76/69/87/563766987.db2.gz ZRZKIVRJRKEDOB-QGZVFWFLSA-N 0 0 308.422 3.569 40 0 DHABRN CC(C)n1c(Cl)nc2cc(C(=O)NC3CCCC3)ccc21 ZINC000225987354 563767615 /nfs/dbraw/zinc/76/76/15/563767615.db2.gz LSPAYWJJANXLEL-UHFFFAOYSA-N 0 0 305.809 3.943 40 0 DHABRN COc1ccc(CSCC(=O)Nc2ccccc2)cc1OC ZINC000059461530 563770703 /nfs/dbraw/zinc/77/07/03/563770703.db2.gz KHHXTWPJGTVJSI-UHFFFAOYSA-N 0 0 317.410 3.576 40 0 DHABRN C[C@@H]1CCCCN1Cn1nc(COc2ccccc2)oc1=S ZINC000059484591 563771653 /nfs/dbraw/zinc/77/16/53/563771653.db2.gz BIAIHEFHPTUILN-CYBMUJFWSA-N 0 0 319.430 3.616 40 0 DHABRN Cc1ccccc1OCCNC(=O)/C=C/c1ccccc1Cl ZINC000059475206 563771768 /nfs/dbraw/zinc/77/17/68/563771768.db2.gz DZPMWWPCYQRRAR-ZHACJKMWSA-N 0 0 315.800 3.857 40 0 DHABRN COC(=O)C(C)(C)N1c2c(OC)cccc2[C@H](C)CC1(C)C ZINC000260621960 563773779 /nfs/dbraw/zinc/77/37/79/563773779.db2.gz QBAUUSBOKPIIFT-GFCCVEGCSA-N 0 0 305.418 3.739 40 0 DHABRN CCc1cnccc1[C@H](C)NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000332799545 563780934 /nfs/dbraw/zinc/78/09/34/563780934.db2.gz QQOWVWFSBWKEJJ-PQEBFOHHSA-N 0 0 315.461 3.973 40 0 DHABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)[nH]3)N21 ZINC000260766246 563781076 /nfs/dbraw/zinc/78/10/76/563781076.db2.gz JKVNMSSMJDLQJL-WQVCFCJDSA-N 0 0 312.442 3.698 40 0 DHABRN CC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257204582 563789722 /nfs/dbraw/zinc/78/97/22/563789722.db2.gz AVHPWHNSLSOEDS-RRARJMIVSA-N 0 0 319.420 3.987 40 0 DHABRN O=C(c1cc2ccccc2s1)N1CCC[C@@H](c2ccncn2)C1 ZINC000257229262 563791046 /nfs/dbraw/zinc/79/10/46/563791046.db2.gz FXJRWDPWDSBVGV-CQSZACIVSA-N 0 0 323.421 3.711 40 0 DHABRN CCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccccc1 ZINC000148877708 563822489 /nfs/dbraw/zinc/82/24/89/563822489.db2.gz ATIZTUYKQCWVNB-UHFFFAOYSA-N 0 0 318.756 3.778 40 0 DHABRN CC(C)Nc1cc(N2CCc3cc(Cl)ccc3C2)ncn1 ZINC000328985652 563832866 /nfs/dbraw/zinc/83/28/66/563832866.db2.gz HTPVGNKCZIDUDD-UHFFFAOYSA-N 0 0 302.809 3.513 40 0 DHABRN C[C@@H]1Cc2ccccc2CN1c1ccnc(NC2CCCC2)n1 ZINC000328979620 563832953 /nfs/dbraw/zinc/83/29/53/563832953.db2.gz GHWUWYPMSNHQQT-CQSZACIVSA-N 0 0 308.429 3.782 40 0 DHABRN CC[C@H](C)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)n1 ZINC000329063789 563833379 /nfs/dbraw/zinc/83/33/79/563833379.db2.gz XEYGQRKPPZUYPA-NSHDSACASA-N 0 0 316.836 3.805 40 0 DHABRN Cc1ccc(C)c(OCCCn2c(C=O)nc3ccccc32)c1 ZINC000011735044 563836129 /nfs/dbraw/zinc/83/61/29/563836129.db2.gz 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ZCRUVFSJUVJMSI-LBPRGKRZSA-N 0 0 320.603 3.517 40 0 DHABRN COc1ccc([C@H](C)NC(=O)Nc2cccc(OC)c2)cc1 ZINC000008221431 563864876 /nfs/dbraw/zinc/86/48/76/563864876.db2.gz QRRXNHZLOUHJFT-LBPRGKRZSA-N 0 0 300.358 3.587 40 0 DHABRN Cc1coc(C)c1C(=O)N[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000670801957 563877851 /nfs/dbraw/zinc/87/78/51/563877851.db2.gz XZCDMHIJNNGZPY-FUHWJXTLSA-N 0 0 313.397 3.855 40 0 DHABRN COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1F ZINC000026686622 563878517 /nfs/dbraw/zinc/87/85/17/563878517.db2.gz FMYYHOIKDMDTLV-JLQUWAJJSA-N 0 0 305.393 3.788 40 0 DHABRN COc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1Cl ZINC000045889543 563888254 /nfs/dbraw/zinc/88/82/54/563888254.db2.gz DPNJWINBURABDW-UHFFFAOYSA-N 0 0 304.777 3.800 40 0 DHABRN CCc1ccc2oc(-c3ccc(C)c(-n4cnnc4)c3)nc2c1 ZINC000045920545 563889072 /nfs/dbraw/zinc/88/90/72/563889072.db2.gz QPXOPNYIADMPMI-UHFFFAOYSA-N 0 0 304.353 3.946 40 0 DHABRN CCOc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1 ZINC000001582463 563891874 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NADRCKQRBQMGFE-UHFFFAOYSA-N 0 0 320.845 3.883 40 0 DHABRN Cc1cccnc1NC(Nc1ncccc1C)c1cccnc1 ZINC000018996294 182103358 /nfs/dbraw/zinc/10/33/58/182103358.db2.gz VMCZCANQUJFFSP-UHFFFAOYSA-N 0 0 305.385 3.711 40 0 DHABRN Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2C[C@@H]2C)n1 ZINC000019240130 182112077 /nfs/dbraw/zinc/11/20/77/182112077.db2.gz OTODIUSYVOENSR-BIMULSAOSA-N 0 0 306.456 3.569 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCc2ccccc2C1=O ZINC000019083206 182104715 /nfs/dbraw/zinc/10/47/15/182104715.db2.gz YOSCDMNSILJRMJ-HOTGVXAUSA-N 0 0 315.413 3.831 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCc2ccccc2C1=O ZINC000019083208 182104811 /nfs/dbraw/zinc/10/48/11/182104811.db2.gz YOSCDMNSILJRMJ-HZPDHXFCSA-N 0 0 315.413 3.831 40 0 DHABRN Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 ZINC000019214945 182108099 /nfs/dbraw/zinc/10/80/99/182108099.db2.gz VFLILPCQUNABAU-INDMIFKZSA-N 0 0 306.409 3.702 40 0 DHABRN O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000019371000 182119853 /nfs/dbraw/zinc/11/98/53/182119853.db2.gz YASBZADDGJVEHM-MOPGFXCFSA-N 0 0 315.457 3.960 40 0 DHABRN O=C(CC[C@@H]1CCCO1)N1CCCC[C@H]1CCc1ccccc1 ZINC000019371004 182119936 /nfs/dbraw/zinc/11/99/36/182119936.db2.gz YASBZADDGJVEHM-OALUTQOASA-N 0 0 315.457 3.960 40 0 DHABRN CC[C@@H]1c2cccn2CCN1Cc1c[nH]nc1-c1ccc(O)cc1 ZINC000019500992 182126024 /nfs/dbraw/zinc/12/60/24/182126024.db2.gz OKHDCOJYBDJVLM-QGZVFWFLSA-N 0 0 322.412 3.551 40 0 DHABRN CCCn1c(C)cc2cc(NC(=O)[C@@H](C)n3ccnc3)ccc21 ZINC000019525967 182128631 /nfs/dbraw/zinc/12/86/31/182128631.db2.gz GBSWGZRKAKKRKR-CQSZACIVSA-N 0 0 310.401 3.756 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)cc1 ZINC000020105689 182186946 /nfs/dbraw/zinc/18/69/46/182186946.db2.gz KMRZNRTUFFRAOV-OAHLLOKOSA-N 0 0 313.397 3.732 40 0 DHABRN CCC[C@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020110196 182187692 /nfs/dbraw/zinc/18/76/92/182187692.db2.gz SWIHACTUPFSQKP-AWEZNQCLSA-N 0 0 319.426 3.946 40 0 DHABRN O=C(Cc1ccccc1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020137092 182191178 /nfs/dbraw/zinc/19/11/78/182191178.db2.gz PGNRYRSDBSUQTJ-UHFFFAOYSA-N 0 0 307.349 3.620 40 0 DHABRN NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000020154544 182193292 /nfs/dbraw/zinc/19/32/92/182193292.db2.gz NRYRQGFICFXMQR-UHFFFAOYSA-N 0 0 303.774 3.804 40 0 DHABRN CC1=C(C(=O)OC2CCCC2)[C@@H]2C[C@](C)(N1)Oc1ccccc12 ZINC000020375227 182212811 /nfs/dbraw/zinc/21/28/11/182212811.db2.gz LRKDSMJHEAETSV-DNVCBOLYSA-N 0 0 313.397 3.632 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000020485580 182223226 /nfs/dbraw/zinc/22/32/26/182223226.db2.gz KTDFSMQQCDZXIO-HUUCEWRRSA-N 0 0 313.397 3.648 40 0 DHABRN Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccccc2)cc1 ZINC000020451357 182218623 /nfs/dbraw/zinc/21/86/23/182218623.db2.gz JVMNLEVTOKPCQC-FMIVXFBMSA-N 0 0 317.392 3.510 40 0 DHABRN Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NC(C)C)c1 ZINC000020454540 182219427 /nfs/dbraw/zinc/21/94/27/182219427.db2.gz AEUUYZQBLUVDNF-UHFFFAOYSA-N 0 0 324.424 3.623 40 0 DHABRN Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000020456545 182219575 /nfs/dbraw/zinc/21/95/75/182219575.db2.gz CYSQIKOQOBQLKT-IAGOWNOFSA-N 0 0 311.425 3.900 40 0 DHABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000020460573 182219985 /nfs/dbraw/zinc/21/99/85/182219985.db2.gz ISGDGJQCRWMSEH-GOSISDBHSA-N 0 0 320.392 3.709 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)Nc2cccc(SC)c2)c1 ZINC000020494733 182224339 /nfs/dbraw/zinc/22/43/39/182224339.db2.gz IIRWUGJGXLGOTF-GFCCVEGCSA-N 0 0 317.410 3.823 40 0 DHABRN CSc1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)cc1 ZINC000020798088 182247368 /nfs/dbraw/zinc/24/73/68/182247368.db2.gz TUFYZEBUKGEWCI-UHFFFAOYSA-N 0 0 319.389 3.659 40 0 DHABRN COc1ccc(-c2nc(Cl)nn2-c2ccc(F)cc2)cc1 ZINC000022125821 182309666 /nfs/dbraw/zinc/30/96/66/182309666.db2.gz YSXJCYAXHZQCPE-UHFFFAOYSA-N 0 0 303.724 3.735 40 0 DHABRN CCc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1 ZINC000022255075 182315814 /nfs/dbraw/zinc/31/58/14/182315814.db2.gz NKAHTVPWSGDTLI-UHFFFAOYSA-N 0 0 318.423 3.660 40 0 DHABRN CSc1ccccc1NC(=O)c1cn(C)c2ccccc2c1=O ZINC000022234231 182314439 /nfs/dbraw/zinc/31/44/39/182314439.db2.gz RVQVRPKIRUUHLW-UHFFFAOYSA-N 0 0 324.405 3.513 40 0 DHABRN Cc1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)co1 ZINC000022538288 182325780 /nfs/dbraw/zinc/32/57/80/182325780.db2.gz DRQIKFMHUNNGSD-UHFFFAOYSA-N 0 0 306.365 3.826 40 0 DHABRN Cc1ccc(S[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000023244261 182353500 /nfs/dbraw/zinc/35/35/00/182353500.db2.gz IPABTFXONYVADR-CQSZACIVSA-N 0 0 317.429 3.974 40 0 DHABRN C[C@H](NC(=O)CSCc1ccccc1F)c1ccccc1 ZINC000024064856 182374313 /nfs/dbraw/zinc/37/43/13/182374313.db2.gz NDJFDHADUXXMNN-ZDUSSCGKSA-N 0 0 303.402 3.936 40 0 DHABRN CN(CCNC(=O)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000024619022 182385356 /nfs/dbraw/zinc/38/53/56/182385356.db2.gz HUIHAUCKEUEGPZ-UHFFFAOYSA-N 0 0 316.832 3.525 40 0 DHABRN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1cccc(C)c1C ZINC000028243909 182516464 /nfs/dbraw/zinc/51/64/64/182516464.db2.gz GOWUFMXCULPTAJ-UHFFFAOYSA-N 0 0 322.412 3.937 40 0 DHABRN COc1ccc([C@H](C)NC(=O)c2ccc(Br)o2)cc1 ZINC000032610134 182650322 /nfs/dbraw/zinc/65/03/22/182650322.db2.gz MBZKFYZKOWKZKV-VIFPVBQESA-N 0 0 324.174 3.542 40 0 DHABRN CCCn1nc(C)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000032610657 182650463 /nfs/dbraw/zinc/65/04/63/182650463.db2.gz XCHKEBGOPITPSE-UHFFFAOYSA-N 0 0 307.781 3.516 40 0 DHABRN O=C(CCc1ccccc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000035982563 182791332 /nfs/dbraw/zinc/79/13/32/182791332.db2.gz VMSLLBLLOWDGCH-UHFFFAOYSA-N 0 0 317.772 3.683 40 0 DHABRN CCc1ccc(N[C@@H]2CC(=O)N(c3ccccc3CC)C2=O)cc1 ZINC000036635546 182832489 /nfs/dbraw/zinc/83/24/89/182832489.db2.gz VVPHNUIOMNMXEZ-QGZVFWFLSA-N 0 0 322.408 3.555 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H](Oc2c(F)cccc2F)C1 ZINC000039953979 183024015 /nfs/dbraw/zinc/02/40/15/183024015.db2.gz FBJJPXYZFIOKRM-NSHDSACASA-N 0 0 313.344 3.743 40 0 DHABRN COc1ccc(C)cc1[C@H](O)c1cccc(Br)c1 ZINC000040264091 183049440 /nfs/dbraw/zinc/04/94/40/183049440.db2.gz QTVDPNHSLJESTA-OAHLLOKOSA-N 0 0 307.187 3.848 40 0 DHABRN CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000040945945 183149754 /nfs/dbraw/zinc/14/97/54/183149754.db2.gz PJNXOXHUIVGKIQ-HUUCEWRRSA-N 0 0 307.434 3.795 40 0 DHABRN Cc1cc(C)cc(NC(=O)c2cccnc2Br)c1 ZINC000041107463 183165796 /nfs/dbraw/zinc/16/57/96/183165796.db2.gz NPNBENYAKVRRLA-UHFFFAOYSA-N 0 0 305.175 3.713 40 0 DHABRN Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(N)cc1C ZINC000045890300 183534512 /nfs/dbraw/zinc/53/45/12/183534512.db2.gz HFTZKKNKJLSRAW-UHFFFAOYSA-N 0 0 318.804 3.865 40 0 DHABRN COC(=O)c1cc(-c2ccccc2)cc(Br)c1OC ZINC000057339901 184033816 /nfs/dbraw/zinc/03/38/16/184033816.db2.gz POYTURCICUVSDJ-UHFFFAOYSA-N 0 0 321.170 3.911 40 0 DHABRN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C ZINC000058704474 184126574 /nfs/dbraw/zinc/12/65/74/184126574.db2.gz HJIOSXWAKZZASJ-UHFFFAOYSA-N 0 0 303.427 3.514 40 0 DHABRN O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCCCC1 ZINC000059052451 184134128 /nfs/dbraw/zinc/13/41/28/184134128.db2.gz HCRIYGZVUZJCLN-UHFFFAOYSA-N 0 0 305.381 3.856 40 0 DHABRN CCOc1cc(C(=O)OC)ccc1OCc1ccc(C)cc1 ZINC000062170259 184209734 /nfs/dbraw/zinc/20/97/34/184209734.db2.gz YNRXSKTZUFRNBH-UHFFFAOYSA-N 0 0 300.354 3.759 40 0 DHABRN CCOc1cc(C(=O)OC)ccc1OCc1ccccc1F ZINC000062170256 184209965 /nfs/dbraw/zinc/20/99/65/184209965.db2.gz JWQKHOCCEIERFA-UHFFFAOYSA-N 0 0 304.317 3.590 40 0 DHABRN COc1ccc(CSCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000113935275 194620961 /nfs/dbraw/zinc/62/09/61/194620961.db2.gz TXPYHIRZVOWREO-UHFFFAOYSA-N 0 0 317.410 3.576 40 0 DHABRN Cc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1 ZINC000113969350 194625045 /nfs/dbraw/zinc/62/50/45/194625045.db2.gz KDUSQEYECYAUFS-CYBMUJFWSA-N 0 0 303.789 3.905 40 0 DHABRN CN(c1ccccc1F)S(=O)(=O)c1ccc2ccccc2c1 ZINC000119950289 195068060 /nfs/dbraw/zinc/06/80/60/195068060.db2.gz RYWUCQAHGPTADM-UHFFFAOYSA-N 0 0 315.369 3.804 40 0 DHABRN C[C@H](CCc1ccccc1)NC(=O)CCCOc1ccccc1 ZINC000014396293 256526100 /nfs/dbraw/zinc/52/61/00/256526100.db2.gz JLUKYVUODIRDLB-QGZVFWFLSA-N 0 0 311.425 3.983 40 0 DHABRN CN(CCc1ccccc1)C(=O)c1cccnc1-c1cncs1 ZINC000257260625 256620092 /nfs/dbraw/zinc/62/00/92/256620092.db2.gz LDQYWQRGNBBHNA-UHFFFAOYSA-N 0 0 323.421 3.520 40 0 DHABRN CCOC(=O)c1cc(Br)sc1C(F)(F)F ZINC000242687688 257120231 /nfs/dbraw/zinc/12/02/31/257120231.db2.gz UPZSOIXZRHNQGA-UHFFFAOYSA-N 0 0 303.099 3.706 40 0 DHABRN C[C@H]1CC[C@H]1COc1ccc(I)cc1 ZINC000242718269 257120384 /nfs/dbraw/zinc/12/03/84/257120384.db2.gz XHQQLNGLVKBORD-UWVGGRQHSA-N 0 0 302.155 3.716 40 0 DHABRN CC(C)(C)OC(=O)NCc1ccc(NCc2ccccc2)nc1 ZINC000072225342 257123770 /nfs/dbraw/zinc/12/37/70/257123770.db2.gz JTJYFUCHPHJRDZ-UHFFFAOYSA-N 0 0 313.401 3.718 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccoc2)cc1 ZINC000072221634 257124366 /nfs/dbraw/zinc/12/43/66/257124366.db2.gz NEYXNUSRQILDTQ-MRXNPFEDSA-N 0 0 305.399 3.504 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccs2)cc1 ZINC000072221668 257124371 /nfs/dbraw/zinc/12/43/71/257124371.db2.gz BWYJKVGQBFMXCF-OAHLLOKOSA-N 0 0 321.467 3.972 40 0 DHABRN Cc1cc(N(C)C)ncc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218677 257124768 /nfs/dbraw/zinc/12/47/68/257124768.db2.gz JTTUFZOITPGJAX-AWEZNQCLSA-N 0 0 305.422 3.528 40 0 DHABRN Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cnc1N(C)C ZINC000072218648 257125252 /nfs/dbraw/zinc/12/52/52/257125252.db2.gz UOIKZQHDRFPQNM-HNNXBMFYSA-N 0 0 319.449 3.918 40 0 DHABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1=NCCC1 ZINC000072214899 257126211 /nfs/dbraw/zinc/12/62/11/257126211.db2.gz ZKWJSKALWTZFEV-UHFFFAOYSA-N 0 0 303.406 3.814 40 0 DHABRN CCN(C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072212744 257127403 /nfs/dbraw/zinc/12/74/03/257127403.db2.gz KTZMMAIZIMWGLK-HNNXBMFYSA-N 0 0 319.449 4.000 40 0 DHABRN CN(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072212632 257127526 /nfs/dbraw/zinc/12/75/26/257127526.db2.gz LYMKLMMRHRNKBX-KRWDZBQOSA-N 0 0 309.413 3.515 40 0 DHABRN Oc1ccccc1-c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000064874547 257129232 /nfs/dbraw/zinc/12/92/32/257129232.db2.gz NEZBCEAAYFFQMT-UHFFFAOYSA-N 0 0 305.259 3.863 40 0 DHABRN CC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](O)CO ZINC000514287812 257216188 /nfs/dbraw/zinc/21/61/88/257216188.db2.gz CMKZRSCSOAUETD-HBLWEWJRSA-N 0 0 324.461 3.692 40 0 biogenic,in-vitro DHABRN C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000170387710 257216903 /nfs/dbraw/zinc/21/69/03/257216903.db2.gz YQKZEGUAPCNVOS-DZGCQCFKSA-N 0 0 316.445 3.618 40 0 DHABRN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000059227415 257217053 /nfs/dbraw/zinc/21/70/53/257217053.db2.gz MVNGBVPRDMRSNP-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN CCNC(=O)c1sc2c(ccc(OC)c2Cl)c1Cl ZINC000408972062 257224593 /nfs/dbraw/zinc/22/45/93/257224593.db2.gz PIEDFFUOWJNUNN-UHFFFAOYSA-N 0 0 304.198 3.966 40 0 DHABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O ZINC000409008896 257224631 /nfs/dbraw/zinc/22/46/31/257224631.db2.gz AAXLAPLPCRQRTM-ZECSTPGPSA-N 0 0 305.399 3.838 40 0 DHABRN C[C@@H](SCc1ccccc1)C(=O)NCCSC(C)(C)C ZINC000408921710 257225147 /nfs/dbraw/zinc/22/51/47/257225147.db2.gz VVJNDWALKQSKKU-CYBMUJFWSA-N 0 0 311.516 3.956 40 0 DHABRN C[C@H](SCc1ccccc1)C(=O)NCCSC(C)(C)C ZINC000408921711 257225337 /nfs/dbraw/zinc/22/53/37/257225337.db2.gz VVJNDWALKQSKKU-ZDUSSCGKSA-N 0 0 311.516 3.956 40 0 DHABRN O=C(CSc1ccccc1)NCCSCc1cccs1 ZINC000408906895 257225929 /nfs/dbraw/zinc/22/59/29/257225929.db2.gz KBCLVQBHIMOLQM-UHFFFAOYSA-N 0 0 323.508 3.890 40 0 DHABRN Cc1cc(C)n([C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000408734042 257227442 /nfs/dbraw/zinc/22/74/42/257227442.db2.gz FUMBWKKVZOJQIA-GOSISDBHSA-N 0 0 305.381 3.728 40 0 DHABRN CCn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2cc(C)ccc21 ZINC000408712935 257227825 /nfs/dbraw/zinc/22/78/25/257227825.db2.gz CESUZHAMCKXGPT-UHFFFAOYSA-N 0 0 320.392 3.891 40 0 DHABRN CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cc(C)ccc21 ZINC000408713126 257228053 /nfs/dbraw/zinc/22/80/53/257228053.db2.gz LCGCUDZZWCGUEE-UHFFFAOYSA-N 0 0 306.365 3.582 40 0 DHABRN CCCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000408707709 257228127 /nfs/dbraw/zinc/22/81/27/257228127.db2.gz 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BALQIABVXBTMAP-UHFFFAOYSA-N 0 0 324.311 3.511 40 0 DHABRN O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1ccccc1F ZINC000408535090 257230368 /nfs/dbraw/zinc/23/03/68/257230368.db2.gz XUCVFVRZPMDGMT-ZHACJKMWSA-N 0 0 319.339 3.935 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000228910365 257214597 /nfs/dbraw/zinc/21/45/97/257214597.db2.gz NNNOXHUFBNFOQD-CYBMUJFWSA-N 0 0 323.820 3.709 40 0 DHABRN Cc1nn(-c2cc(N)cc(C(F)(F)F)c2)cc1Br ZINC000228921061 257214611 /nfs/dbraw/zinc/21/46/11/257214611.db2.gz HRTVMSHNNZRWEV-UHFFFAOYSA-N 0 0 320.112 3.544 40 0 DHABRN Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)c(C)c1 ZINC000071977993 184917836 /nfs/dbraw/zinc/91/78/36/184917836.db2.gz FVCNZSXMQJFGBW-UHFFFAOYSA-N 0 0 319.364 3.738 40 0 DHABRN COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)cc1 ZINC000000422942 134436862 /nfs/dbraw/zinc/43/68/62/134436862.db2.gz BXVXTPNKOBMPNX-KXBFYZLASA-N 0 0 324.380 3.773 40 0 DHABRN CC(=O)O[C@@]1(Cc2ccccc2)CN2CC[C@@H]1c1ccccc12 ZINC000038601207 331676455 /nfs/dbraw/zinc/67/64/55/331676455.db2.gz LVHTUQSUYMWMGX-QUCCMNQESA-N 0 0 307.393 3.539 40 0 DHABRN CC(C)(C)C(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1O ZINC000009064120 333019393 /nfs/dbraw/zinc/01/93/93/333019393.db2.gz UIXRJNBZNMQOAC-UHFFFAOYSA-N 0 0 308.447 3.549 40 0 DHABRN CC(C)c1ccc(C(=O)NC(=S)NCc2ccccc2)cc1 ZINC000014257718 333151086 /nfs/dbraw/zinc/15/10/86/333151086.db2.gz RRCQKWZYIITTOV-UHFFFAOYSA-N 0 0 312.438 3.615 40 0 DHABRN COc1ccc(CSCC(=O)NC(C(C)C)C(C)C)cc1 ZINC000020237812 333317247 /nfs/dbraw/zinc/31/72/47/333317247.db2.gz IFDMNDYWWSLCEY-UHFFFAOYSA-N 0 0 309.475 3.725 40 0 DHABRN Cc1cccc(-c2nc(CO[C@@H]3CCCC[C@H]3C)no2)c1O ZINC000333111030 336198085 /nfs/dbraw/zinc/19/80/85/336198085.db2.gz XOOQNRKCQDLWGW-BXUZGUMPSA-N 0 0 302.374 3.846 40 0 DHABRN C[C@@]12CCC(=O)[C@H](O)[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)C(=O)CCC[C@@H]12 ZINC000245190553 341285176 /nfs/dbraw/zinc/28/51/76/341285176.db2.gz PSDYUQOKDCQVKL-YOSIWLQUSA-N 0 0 318.457 3.528 40 0 DHABRN CCCCCCN1N=C(C)[C@H](C(=O)c2ccc(Cl)cc2)C1=O ZINC000100491244 563631352 /nfs/dbraw/zinc/63/13/52/563631352.db2.gz ZETUYCPVLHVEOY-OAHLLOKOSA-N 0 0 320.820 3.937 40 0 DHABRN COC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001665929 563633827 /nfs/dbraw/zinc/63/38/27/563633827.db2.gz DEOYBXLCCRIQMZ-UHFFFAOYSA-N 0 0 304.733 3.771 40 0 DHABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1sccc1C ZINC000222858497 563728661 /nfs/dbraw/zinc/72/86/61/563728661.db2.gz OKRTVEZRODNHQU-KBPBESRZSA-N 0 0 317.483 3.834 40 0 DHABRN CCC[C@@H](C)NC(=S)Nc1cc(C(=O)OCC)ccc1C ZINC000225383044 563753167 /nfs/dbraw/zinc/75/31/67/563753167.db2.gz CPKQVHQRUGRHTR-GFCCVEGCSA-N 0 0 308.447 3.647 40 0 DHABRN CCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1 ZINC000225470776 563755764 /nfs/dbraw/zinc/75/57/64/563755764.db2.gz QWYNLYDWKIWNIK-UHFFFAOYSA-N 0 0 303.793 3.806 40 0 DHABRN COc1ccc(NC(=O)C(Cl)(Cl)Cl)c2cccnc12 ZINC000225879421 563765824 /nfs/dbraw/zinc/76/58/24/563765824.db2.gz DOPMRMLRHFIVFW-UHFFFAOYSA-N 0 0 319.575 3.552 40 0 DHABRN CCCN(CCC)CN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000033717506 563770157 /nfs/dbraw/zinc/77/01/57/563770157.db2.gz YYCYPMGMQZVCSL-NTCAYCPXSA-N 0 0 318.442 3.802 40 0 DHABRN Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)c(C)c1 ZINC000007436422 563338670 /nfs/dbraw/zinc/33/86/70/563338670.db2.gz RCAIAGFQFFGWKN-UHFFFAOYSA-N 0 0 321.779 3.905 40 0 DHABRN CC(=O)Nc1ccc(OC(=O)Nc2ccccc2Cl)cc1 ZINC000000401486 563251106 /nfs/dbraw/zinc/25/11/06/563251106.db2.gz SNFWZFRXPFCDCD-UHFFFAOYSA-N 0 0 304.733 3.909 40 0 DHABRN Oc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1 ZINC000000416836 563252866 /nfs/dbraw/zinc/25/28/66/563252866.db2.gz SQXFHJAQVMSNSK-UHFFFAOYSA-N 0 0 302.330 3.874 40 0 DHABRN Cn1c(SCc2ccccc2F)nnc1-c1cccs1 ZINC000000527679 563264904 /nfs/dbraw/zinc/26/49/04/563264904.db2.gz QMCUBWLFDGDILP-UHFFFAOYSA-N 0 0 305.403 3.975 40 0 DHABRN CC[C@H](c1ccc(OC)cc1)c1cc2c(cc1OC)OCO2 ZINC000001582286 563286381 /nfs/dbraw/zinc/28/63/81/563286381.db2.gz FHWHXGJTDMCZOZ-CQSZACIVSA-N 0 0 300.354 3.974 40 0 DHABRN COc1ccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)cc1 ZINC000001609268 563287337 /nfs/dbraw/zinc/28/73/37/563287337.db2.gz KOFGCEDKGQUYDQ-UHFFFAOYSA-N 0 0 316.364 3.678 40 0 DHABRN CC(C)C(=O)OCC(C)(C)[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 ZINC000001600789 563287606 /nfs/dbraw/zinc/28/76/06/563287606.db2.gz BKUWIJQGNMWGAU-DZGCQCFKSA-N 0 0 300.439 3.636 40 0 DHABRN O[C@@H](CC(O)(C(F)(F)Cl)C(F)(F)Cl)c1ccccc1 ZINC000001637023 563288518 /nfs/dbraw/zinc/28/85/18/563288518.db2.gz ZGRPQOKXVFKJQN-QMMMGPOBSA-N 0 0 321.097 3.504 40 0 DHABRN CCOP(=O)(C[C@H](C)P(=O)(OCC)OCC)OCC ZINC000001633675 563288710 /nfs/dbraw/zinc/28/87/10/563288710.db2.gz HJGBGITVOMBUNF-NSHDSACASA-N 0 0 316.271 3.907 40 0 DHABRN O[C@]1(Cc2ccccn2)c2ccccc2C[C@H]1c1ccccc1 ZINC000001730371 563293842 /nfs/dbraw/zinc/29/38/42/563293842.db2.gz VIQVBGUQONMGJF-LEWJYISDSA-N 0 0 301.389 3.852 40 0 DHABRN C[C@@H]1CC[C@H]([C@](O)(C(=O)c2ccccc2)c2ccccc2)C(=O)C1 ZINC000001757660 563295254 /nfs/dbraw/zinc/29/52/54/563295254.db2.gz GXTBEGWKZYADOA-YWMUFLPLSA-N 0 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Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)c3ccncc3)nc2c1 ZINC000012116173 563361611 /nfs/dbraw/zinc/36/16/11/563361611.db2.gz MDVKBAGFNYKKHL-KRWDZBQOSA-N 0 0 320.396 3.634 40 0 DHABRN C[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1ccc2c(c1)CCC2 ZINC000012116845 563362624 /nfs/dbraw/zinc/36/26/24/563362624.db2.gz BDPZGOHBBJJAGZ-ZDUSSCGKSA-N 0 0 323.440 3.658 40 0 DHABRN Cc1cc2occ(CC(=O)NCCCc3ccccn3)c2cc1C ZINC000012148614 563363237 /nfs/dbraw/zinc/36/32/37/563363237.db2.gz HHNQSGGHYLCCDG-UHFFFAOYSA-N 0 0 322.408 3.736 40 0 DHABRN CC(C)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)n(C)n1 ZINC000012194777 563363900 /nfs/dbraw/zinc/36/39/00/563363900.db2.gz KVNOHVVDPNLICL-CYBMUJFWSA-N 0 0 311.429 3.523 40 0 DHABRN c1cc(-c2nc(N3CCCCCC3)ncc2-c2cnccn2)co1 ZINC000012252142 563365406 /nfs/dbraw/zinc/36/54/06/563365406.db2.gz FPQKFBCWPDJFNS-UHFFFAOYSA-N 0 0 321.384 3.574 40 0 DHABRN Cc1oc2ccc(O)cc2c1C(=O)N(C)[C@@H](C)Cc1ccccn1 ZINC000012325401 563366085 /nfs/dbraw/zinc/36/60/85/563366085.db2.gz MSYBARKLWPFVTL-LBPRGKRZSA-N 0 0 324.380 3.545 40 0 DHABRN CN(CCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000012611630 563371371 /nfs/dbraw/zinc/37/13/71/563371371.db2.gz NVNOQGMPCGYEPH-UHFFFAOYSA-N 0 0 323.223 3.860 40 0 DHABRN O=C1CSC(C(=Cc2ccccc2)c2nc3ccccc3[nH]2)=N1 ZINC000012948822 563375575 /nfs/dbraw/zinc/37/55/75/563375575.db2.gz NNMKULLTADOZFY-JLHYYAGUSA-N 0 0 319.389 3.775 40 0 DHABRN Cc1ccccc1[C@@](C)(O)Cc1nccn1Cc1ccccc1 ZINC000013281782 563380220 /nfs/dbraw/zinc/38/02/20/563380220.db2.gz PYOMJEQDMMMXAA-FQEVSTJZSA-N 0 0 306.409 3.690 40 0 DHABRN CCOc1ccccc1CCCNC(=O)/C=C/c1ccccc1 ZINC000013670792 563384875 /nfs/dbraw/zinc/38/48/75/563384875.db2.gz QSYGHGOKOMZIRZ-CCEZHUSRSA-N 0 0 309.409 3.848 40 0 DHABRN Cc1cc(O[C@H](C)C(=O)N2CCC[C@H](C)C2)cc(C)c1Cl ZINC000013676113 563385815 /nfs/dbraw/zinc/38/58/15/563385815.db2.gz XOUASRJDMGZXOV-SMDDNHRTSA-N 0 0 309.837 3.983 40 0 DHABRN CCOCCCNC(=O)c1ccccc1CCc1ccccc1 ZINC000013688331 563386072 /nfs/dbraw/zinc/38/60/72/563386072.db2.gz XSRUYQBZRONUTQ-UHFFFAOYSA-N 0 0 311.425 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CC(C)n1c(C(=O)N2CCCC2)cc2c1c1ccccc1n2C ZINC000096264168 563536553 /nfs/dbraw/zinc/53/65/53/563536553.db2.gz WSBHEJKBNMVFKD-UHFFFAOYSA-N 0 0 309.413 3.950 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)nc2)CC1 ZINC000098175406 563543849 /nfs/dbraw/zinc/54/38/49/563543849.db2.gz FLSQYNASYVVZSB-UHFFFAOYSA-N 0 0 312.797 3.513 40 0 DHABRN Cc1cccc(C)c1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O ZINC000101275516 563557083 /nfs/dbraw/zinc/55/70/83/563557083.db2.gz BQQABZXIZOYFJL-INIZCTEOSA-N 0 0 322.408 3.664 40 0 DHABRN CCc1ccc(N[C@H]2CC(=O)N(c3ccccc3CC)C2=O)cc1 ZINC000101275681 563557093 /nfs/dbraw/zinc/55/70/93/563557093.db2.gz VVPHNUIOMNMXEZ-KRWDZBQOSA-N 0 0 322.408 3.555 40 0 DHABRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cscn2)cc1 ZINC000102979473 563560532 /nfs/dbraw/zinc/56/05/32/563560532.db2.gz UXKVGBZGAAXTFT-HNNXBMFYSA-N 0 0 302.399 3.519 40 0 DHABRN O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000109053385 563568381 /nfs/dbraw/zinc/56/83/81/563568381.db2.gz QNNHGDRLJTXSDH-MRXNPFEDSA-N 0 0 312.438 3.652 40 0 DHABRN Nc1cccc(-c2nnc(COc3ccc(Cl)cc3)o2)c1 ZINC000085386077 563568990 /nfs/dbraw/zinc/56/89/90/563568990.db2.gz BCXJQUOPGVYJGJ-UHFFFAOYSA-N 0 0 301.733 3.551 40 0 DHABRN CCOc1cc(-c2nnc(-c3cccc(F)c3)[nH]2)ccc1OC ZINC000085384971 563569018 /nfs/dbraw/zinc/56/90/18/563569018.db2.gz YVOIKPCVHXGRLG-UHFFFAOYSA-N 0 0 313.332 3.685 40 0 DHABRN COC(=O)c1cc(C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000085397448 563569715 /nfs/dbraw/zinc/56/97/15/563569715.db2.gz GQJBFOGRMCVRTP-UHFFFAOYSA-N 0 0 318.756 3.908 40 0 DHABRN CCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000048490636 563574677 /nfs/dbraw/zinc/57/46/77/563574677.db2.gz LDWDJIDNYZTABB-UHFFFAOYSA-N 0 0 317.216 3.628 40 0 DHABRN COc1ccc(CSCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000113932676 563585339 /nfs/dbraw/zinc/58/53/39/563585339.db2.gz BGMCDHPUNOTRAH-UHFFFAOYSA-N 0 0 323.364 3.845 40 0 DHABRN Cc1cc(C)cc(NC(=O)COC(=O)c2ccccc2Cl)c1 ZINC000003507348 563588648 /nfs/dbraw/zinc/58/86/48/563588648.db2.gz BIVJVMDGHOXYLQ-UHFFFAOYSA-N 0 0 317.772 3.752 40 0 DHABRN 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ZINC000003075272 563635443 /nfs/dbraw/zinc/63/54/43/563635443.db2.gz JOKJTSYWXAGTPJ-UHFFFAOYSA-N 0 0 322.433 3.686 40 0 DHABRN Nc1c2cccnc2sc1-c1nc(-c2cccs2)no1 ZINC000588228540 563637548 /nfs/dbraw/zinc/63/75/48/563637548.db2.gz LTAMQMRUCZGBGZ-UHFFFAOYSA-N 0 0 300.368 3.657 40 0 DHABRN Cc1cc(NC(=O)C(F)(F)F)ccc1NC(=O)c1ccccc1 ZINC000008071193 563641588 /nfs/dbraw/zinc/64/15/88/563641588.db2.gz AJTWSCPKMDMJSY-UHFFFAOYSA-N 0 0 322.286 3.748 40 0 DHABRN CCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2)o1 ZINC000008339307 563642427 /nfs/dbraw/zinc/64/24/27/563642427.db2.gz KDWYJVLSKFYCPA-UHFFFAOYSA-N 0 0 300.387 3.507 40 0 DHABRN CC[C@@H](Oc1ccccc1OC)C(=O)NC(C(C)C)C(C)C ZINC000008498893 563642800 /nfs/dbraw/zinc/64/28/00/563642800.db2.gz DFZPGIRQTVEOJM-CQSZACIVSA-N 0 0 307.434 3.649 40 0 DHABRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1F ZINC000010039560 563646429 /nfs/dbraw/zinc/64/64/29/563646429.db2.gz NNDVNQHWJCVFAN-AWEZNQCLSA-N 0 0 324.396 3.704 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H](O)c2ccc(F)cc2)C1 ZINC000012141941 563651753 /nfs/dbraw/zinc/65/17/53/563651753.db2.gz IERYFFQDBOOVPT-DZGCQCFKSA-N 0 0 309.381 3.506 40 0 DHABRN COc1ccccc1NCc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000012492961 563652484 /nfs/dbraw/zinc/65/24/84/563652484.db2.gz JJYRPJMELGTWCT-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN FC(F)(F)c1cnc(N2CCCCC2)c(Br)c1 ZINC000095096670 563657340 /nfs/dbraw/zinc/65/73/40/563657340.db2.gz BBIHBSOOTLPXGQ-UHFFFAOYSA-N 0 0 309.129 3.853 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c(C)c1 ZINC000113959477 563658312 /nfs/dbraw/zinc/65/83/12/563658312.db2.gz JHEPPWXVEYCMNK-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN CCOc1ccc(C(=S)NCc2ccccc2)cc1OC ZINC000013547004 563660206 /nfs/dbraw/zinc/66/02/06/563660206.db2.gz OHWITXIWWOJZJQ-UHFFFAOYSA-N 0 0 301.411 3.559 40 0 DHABRN CCc1cccc2cc(CNc3ccc(OC)cc3)c(=O)[nH]c21 ZINC000013561938 563660541 /nfs/dbraw/zinc/66/05/41/563660541.db2.gz KYVVNAABCCAVON-UHFFFAOYSA-N 0 0 308.381 3.711 40 0 DHABRN 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DHABRN Cc1c(C(N)=O)c2ccccc2n1Cc1c(F)cccc1Cl ZINC000216948565 563859250 /nfs/dbraw/zinc/85/92/50/563859250.db2.gz ZQTPTXGRHNWBJV-UHFFFAOYSA-N 0 0 316.763 3.889 40 0 DHABRN Cc1cc(N)cc(C)c1NC(=O)c1cccc(Br)c1 ZINC000045888794 563888305 /nfs/dbraw/zinc/88/83/05/563888305.db2.gz CRVRPRQVLBYQJR-UHFFFAOYSA-N 0 0 319.202 3.900 40 0 DHABRN Cc1cc2nc(-c3ccc(Cn4cnnc4)cc3)oc2cc1C ZINC000045920837 563889038 /nfs/dbraw/zinc/88/90/38/563889038.db2.gz NVJPFUISPDTNMX-UHFFFAOYSA-N 0 0 304.353 3.751 40 0 DHABRN O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000195543019 563906403 /nfs/dbraw/zinc/90/64/03/563906403.db2.gz CKDOXQLTSQDWES-QDEZUTFSSA-N 0 0 309.413 3.663 40 0 DHABRN O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000195543017 563906406 /nfs/dbraw/zinc/90/64/06/563906406.db2.gz CKDOXQLTSQDWES-ZOMKSWQUSA-N 0 0 309.413 3.663 40 0 DHABRN CCOC(=O)c1ccc(Nc2cc(Cl)ccc2OC)c(N)c1 ZINC000225434401 563914661 /nfs/dbraw/zinc/91/46/61/563914661.db2.gz OLANZWTUYMQFDJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/57/08/48/1024570848.db2.gz ZGTCCWWBRQLRBV-UHFFFAOYSA-N 0 0 322.452 3.836 40 0 DHABRN CC1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000054584324 1025522371 /nfs/dbraw/zinc/52/23/71/1025522371.db2.gz PAGBEBYEWYUYKO-UHFFFAOYSA-N 0 0 316.376 3.672 40 0 DHABRN O=C(NCCOc1cccc2ccccc21)c1ccccc1F ZINC000054592136 1025522959 /nfs/dbraw/zinc/52/29/59/1025522959.db2.gz FMMLQUXBAGSMLT-UHFFFAOYSA-N 0 0 309.340 3.788 40 0 DHABRN CCOc1cccc(NC(=S)NCc2ccc(F)cc2)c1 ZINC000054971768 1025530992 /nfs/dbraw/zinc/53/09/92/1025530992.db2.gz LLMNDUKQGRKLAS-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN CC(C)(C)c1nc(Cl)cc(Nc2ccc3c(c2)OCO3)n1 ZINC000162814069 197594310 /nfs/dbraw/zinc/59/43/10/197594310.db2.gz ZRZFVXLXTMRRDS-UHFFFAOYSA-N 0 0 305.765 3.900 40 0 DHABRN Cc1ccc(C(=O)N2CCn3c(-c4ccsc4)cnc3C2)cc1 ZINC000306126987 231086375 /nfs/dbraw/zinc/08/63/75/231086375.db2.gz FKXCBXNQHVUKAP-UHFFFAOYSA-N 0 0 323.421 3.576 40 0 DHABRN C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004104651 290720115 /nfs/dbraw/zinc/72/01/15/290720115.db2.gz XLHAVSYGJGEONL-QWLKJYMTSA-N 0 0 318.457 3.528 40 0 biogenic,in-vitro DHABRN COC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1OC(C)C ZINC000225787468 201746230 /nfs/dbraw/zinc/74/62/30/201746230.db2.gz FHASORMFRLZTTJ-UHFFFAOYSA-N 0 0 319.401 3.779 40 0 DHABRN CCCCOc1ncc(NC(=O)[C@](C)(CCC)OC)cc1C ZINC000225884426 201758281 /nfs/dbraw/zinc/75/82/81/201758281.db2.gz ASJLXDDSENGRII-KRWDZBQOSA-N 0 0 308.422 3.713 40 0 DHABRN Cc1nc2cc(C(=O)Nc3ccc4sncc4c3)ccc2n1C ZINC000225892749 201759578 /nfs/dbraw/zinc/75/95/78/201759578.db2.gz NMUBNAPUYXKDQC-UHFFFAOYSA-N 0 0 322.393 3.744 40 0 DHABRN CCc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2n1C ZINC000225895895 201760413 /nfs/dbraw/zinc/76/04/13/201760413.db2.gz ABRQFQTUDOMSPX-UHFFFAOYSA-N 0 0 311.429 3.756 40 0 DHABRN CCCOc1ncc(NC(=O)[C@@](C)(CCC)OCC)cc1C ZINC000225895334 201760517 /nfs/dbraw/zinc/76/05/17/201760517.db2.gz PEPUSTXJLZRVAP-QGZVFWFLSA-N 0 0 308.422 3.713 40 0 DHABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1 ZINC000225907011 201761066 /nfs/dbraw/zinc/76/10/66/201761066.db2.gz GPOWZLVHCHTAKV-KRWDZBQOSA-N 0 0 308.422 3.794 40 0 DHABRN CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cn1 ZINC000225893796 201761221 /nfs/dbraw/zinc/76/12/21/201761221.db2.gz WZYJYAJQUPWNGZ-KRWDZBQOSA-N 0 0 308.422 3.650 40 0 DHABRN CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cn1 ZINC000225901540 201761280 /nfs/dbraw/zinc/76/12/80/201761280.db2.gz YWRBIOKFRBVNDH-UHFFFAOYSA-N 0 0 320.433 3.794 40 0 DHABRN COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)c(OC)c1 ZINC000225940485 201762160 /nfs/dbraw/zinc/76/21/60/201762160.db2.gz QJAXREGUXAABGN-UHFFFAOYSA-N 0 0 311.381 3.683 40 0 DHABRN CC(C)(C)OC(=O)NC1(c2ccccc2Br)CC1 ZINC000067802725 190722885 /nfs/dbraw/zinc/72/28/85/190722885.db2.gz IWMUKBASLQJYSR-UHFFFAOYSA-N 0 0 312.207 3.963 40 0 DHABRN COc1ccccc1CNc1cc(Cl)nc(C(F)(F)F)n1 ZINC000234893055 201909534 /nfs/dbraw/zinc/90/95/34/201909534.db2.gz ZTLNKUOVWNYUCA-UHFFFAOYSA-N 0 0 317.698 3.770 40 0 DHABRN O=C(CSCc1ccc(F)cc1)NCCc1ccc(F)cc1 ZINC000070667291 190909784 /nfs/dbraw/zinc/90/97/84/190909784.db2.gz JXVJMYJGYKABDQ-UHFFFAOYSA-N 0 0 321.392 3.557 40 0 DHABRN NN=c1[nH]c2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 ZINC000072229689 191077544 /nfs/dbraw/zinc/07/75/44/191077544.db2.gz PGBFAYSMEPRDGU-UHFFFAOYSA-N 0 0 324.365 3.580 40 0 DHABRN S=C(NCCCSCc1ccco1)Nc1ccccc1 ZINC000225592439 186281156 /nfs/dbraw/zinc/28/11/56/186281156.db2.gz VNXQTOWHPZZEPH-UHFFFAOYSA-N 0 0 306.456 3.890 40 0 DHABRN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)c1 ZINC000225596966 186281373 /nfs/dbraw/zinc/28/13/73/186281373.db2.gz YDXJJKRCISKSBM-CQSZACIVSA-N 0 0 321.417 3.790 40 0 DHABRN COc1cccc(CCCNC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000225631808 186285046 /nfs/dbraw/zinc/28/50/46/186285046.db2.gz LPXKNHUFUHFMEN-UHFFFAOYSA-N 0 0 323.436 3.937 40 0 DHABRN CCOc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000225629300 186285074 /nfs/dbraw/zinc/28/50/74/186285074.db2.gz CNWSKHADMGEPPT-UHFFFAOYSA-N 0 0 309.409 3.894 40 0 DHABRN COc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1Cl ZINC000225638760 186285764 /nfs/dbraw/zinc/28/57/64/186285764.db2.gz DTJMZQMNMVEQBV-BZNIZROVSA-N 0 0 311.809 3.882 40 0 DHABRN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)c(C)c1C ZINC000225670566 186288167 /nfs/dbraw/zinc/28/81/67/186288167.db2.gz HNHCYMQGYNUBCP-UHFFFAOYSA-N 0 0 319.426 3.730 40 0 DHABRN CCCO[C@](C)(C(=O)Nc1ccc(OCC)c(C)c1)C1CC1 ZINC000225673292 186288359 /nfs/dbraw/zinc/28/83/59/186288359.db2.gz YFBMTHMSZOVUNJ-SFHVURJKSA-N 0 0 305.418 3.928 40 0 DHABRN Clc1cccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)c1 ZINC000072322135 191122024 /nfs/dbraw/zinc/12/20/24/191122024.db2.gz BHLXYPVWBWEWHM-INIZCTEOSA-N 0 0 317.820 3.513 40 0 biogenic,in-vitro DHABRN Cc1ccc2cc(CNc3ccc(O)cc3C)c(=O)[nH]c2c1C ZINC000072396058 191149829 /nfs/dbraw/zinc/14/98/29/191149829.db2.gz RXOWLIYLWRAZFL-UHFFFAOYSA-N 0 0 308.381 3.771 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000000026230 180670358 /nfs/dbraw/zinc/67/03/58/180670358.db2.gz RMZAYRXUTNJSDZ-HNNXBMFYSA-N 0 0 307.440 3.582 40 0 DHABRN CC(C)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC000072414532 191156127 /nfs/dbraw/zinc/15/61/27/191156127.db2.gz OYAYUPQQMPTVJN-UHFFFAOYSA-N 0 0 316.637 3.581 40 0 DHABRN Cc1ccc(C(C)C)c(OCC(=O)NCCc2ccccc2)c1 ZINC000000350324 180764109 /nfs/dbraw/zinc/76/41/09/180764109.db2.gz BDNFCHGCMCFJSE-UHFFFAOYSA-N 0 0 311.425 3.856 40 0 DHABRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(C)c3C)C(=O)[C@H]21 ZINC000001191719 180849219 /nfs/dbraw/zinc/84/92/19/180849219.db2.gz GTTMLWKWWDNIDO-PURYLZLUSA-N 0 0 307.393 3.561 40 0 DHABRN CCCC(=O)N(c1nnc(-c2cccnc2)s1)C1CCCC1 ZINC000001345602 180855843 /nfs/dbraw/zinc/85/58/43/180855843.db2.gz PWHMGCBZYMBWMO-UHFFFAOYSA-N 0 0 316.430 3.676 40 0 DHABRN Cc1cc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)n1 ZINC000001607983 180878307 /nfs/dbraw/zinc/87/83/07/180878307.db2.gz ZGISWAPMFGULSM-UHFFFAOYSA-N 0 0 308.341 3.683 40 0 DHABRN CN(C)c1cc2c(cc1Br)-c1ccccc1C2=O ZINC000001694585 180888985 /nfs/dbraw/zinc/88/89/85/180888985.db2.gz 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COc1ccccc1[C@H](C)NC(=S)Nc1ccc(F)cc1 ZINC000016317350 182040206 /nfs/dbraw/zinc/04/02/06/182040206.db2.gz WMKSCSOHWDOXLJ-NSHDSACASA-N 0 0 304.390 3.882 40 0 DHABRN CCCCc1c(O)nc(-c2ccccc2Br)oc1=O ZINC000016639531 182054944 /nfs/dbraw/zinc/05/49/44/182054944.db2.gz FPVJLPAHIOTBRC-UHFFFAOYSA-N 0 0 324.174 3.513 40 0 DHABRN Cc1cccc(NC(=S)NCCc2ccc(O)cc2)c1C ZINC000017025183 182068367 /nfs/dbraw/zinc/06/83/67/182068367.db2.gz QMUIWSUGLHHCGV-UHFFFAOYSA-N 0 0 300.427 3.538 40 0 DHABRN O=C1C[C@H](c2ccccc2O)Cc2c1cnn2-c1ccc(F)cc1 ZINC000017055972 182073296 /nfs/dbraw/zinc/07/32/96/182073296.db2.gz NYWVUKAVZBNGFY-GFCCVEGCSA-N 0 0 322.339 3.630 40 0 DHABRN O=C1C[C@H](c2ccccc2O)Cc2c1cnn2-c1ccccc1F ZINC000017055966 182073441 /nfs/dbraw/zinc/07/34/41/182073441.db2.gz BMRSJIFXWJDELA-GFCCVEGCSA-N 0 0 322.339 3.630 40 0 DHABRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 ZINC000017310852 182082643 /nfs/dbraw/zinc/08/26/43/182082643.db2.gz AWJQHUSRHUQUAI-RTBURBONSA-N 0 0 317.388 3.937 40 0 DHABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 ZINC000017321942 182083507 /nfs/dbraw/zinc/08/35/07/182083507.db2.gz OYTNWOJBWUMADQ-CYBMUJFWSA-N 0 0 315.800 3.692 40 0 DHABRN COc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1F ZINC000018014018 182089701 /nfs/dbraw/zinc/08/97/01/182089701.db2.gz IFGUGMMEFMKGIM-CYBMUJFWSA-N 0 0 301.361 3.942 40 0 DHABRN CC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc(OC)cc1 ZINC000018173832 182095862 /nfs/dbraw/zinc/09/58/62/182095862.db2.gz YKEUUYGSMHTAAF-OAHLLOKOSA-N 0 0 314.385 3.977 40 0 DHABRN Cc1c(N)cccc1C(=O)Nc1ccccc1Br ZINC000019255506 182112209 /nfs/dbraw/zinc/11/22/09/182112209.db2.gz CZIFQVCRLJIHGD-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN O=C(CCc1ccccc1F)NC12CC3CC(CC(C3)C1)C2 ZINC000019159948 182106240 /nfs/dbraw/zinc/10/62/40/182106240.db2.gz YWGQYOSGCLRQIF-UHFFFAOYSA-N 0 0 301.405 3.843 40 0 DHABRN Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000019214948 182107990 /nfs/dbraw/zinc/10/79/90/182107990.db2.gz VFLILPCQUNABAU-NCXUSEDFSA-N 0 0 306.409 3.702 40 0 DHABRN O=C(CC1CCCC1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019346882 182117496 /nfs/dbraw/zinc/11/74/96/182117496.db2.gz YLHAFTCVLSBMGP-INIZCTEOSA-N 0 0 311.429 3.849 40 0 DHABRN O=C(N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1cccnc1 ZINC000019373850 182120915 /nfs/dbraw/zinc/12/09/15/182120915.db2.gz VAILTAFIIXZDQZ-YRXWBPOGSA-N 0 0 306.409 3.784 40 0 DHABRN CCC(CC)C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019500156 182125972 /nfs/dbraw/zinc/12/59/72/182125972.db2.gz MHLGFCGQNQOYGI-MRXNPFEDSA-N 0 0 312.417 3.571 40 0 DHABRN CCC(CC)C(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019500157 182126229 /nfs/dbraw/zinc/12/62/29/182126229.db2.gz MHLGFCGQNQOYGI-INIZCTEOSA-N 0 0 312.417 3.571 40 0 DHABRN CCc1cc(C(=O)N[C@@H]2[C@@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)on1 ZINC000019522774 182127520 /nfs/dbraw/zinc/12/75/20/182127520.db2.gz QNPXYBONLNWHNH-NEPXVJNWSA-N 0 0 324.424 3.939 40 0 DHABRN CCc1cc(C(=O)NC[C@H](C)Oc2ccc(OC)cc2)cs1 ZINC000019522131 182127590 /nfs/dbraw/zinc/12/75/90/182127590.db2.gz FJPZFHFWEPJWPQ-LBPRGKRZSA-N 0 0 319.426 3.516 40 0 DHABRN CCCc1cc([C@H]2CCCCCN2Cc2cnn(CC)c2)no1 ZINC000019525422 182128334 /nfs/dbraw/zinc/12/83/34/182128334.db2.gz QUFXDYFBXSSWIP-GOSISDBHSA-N 0 0 316.449 3.961 40 0 DHABRN CCOc1cc(CN2[C@@H]3CC[C@H]2Cc2ncccc23)ccc1OC ZINC000019531883 182129241 /nfs/dbraw/zinc/12/92/41/182129241.db2.gz IXDJRXGHRMRGGT-MAUKXSAKSA-N 0 0 324.424 3.751 40 0 DHABRN C[C@@H](NC(=O)CCc1ccncc1)c1nc2ccccc2s1 ZINC000019459847 182124720 /nfs/dbraw/zinc/12/47/20/182124720.db2.gz RFQVLOITXLWOEG-GFCCVEGCSA-N 0 0 311.410 3.501 40 0 DHABRN CCn1cc(-c2cncn2CCCOc2cccc(C)c2)cn1 ZINC000019719598 182138512 /nfs/dbraw/zinc/13/85/12/182138512.db2.gz QUIUWJSHUDPNFB-UHFFFAOYSA-N 0 0 310.401 3.544 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1C ZINC000020107323 182187487 /nfs/dbraw/zinc/18/74/87/182187487.db2.gz FETNKLNTVQPBAE-MRXNPFEDSA-N 0 0 309.409 3.656 40 0 DHABRN CC(C)(Br)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000020133174 182190472 /nfs/dbraw/zinc/19/04/72/182190472.db2.gz YWBDDHFNFOBLQJ-UHFFFAOYSA-N 0 0 317.183 3.547 40 0 DHABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(N)=S ZINC000020158819 182194160 /nfs/dbraw/zinc/19/41/60/182194160.db2.gz PBMDVCLOIXQUBA-UHFFFAOYSA-N 0 0 315.423 3.627 40 0 DHABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccccc1 ZINC000020453733 182219424 /nfs/dbraw/zinc/21/94/24/182219424.db2.gz PQQYTCAYSRZJKX-RDTXWAMCSA-N 0 0 313.397 3.730 40 0 DHABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccncc1 ZINC000020459702 182220035 /nfs/dbraw/zinc/22/00/35/182220035.db2.gz AKRNODWCOPFMFY-IBGZPJMESA-N 0 0 320.392 3.709 40 0 DHABRN O=C1OC(c2ccccc2)=N/C1=C\c1c(O)ccc2ccccc21 ZINC000022001497 182303016 /nfs/dbraw/zinc/30/30/16/182303016.db2.gz ROBNYAKIJZGSBC-ATVHPVEESA-N 0 0 315.328 3.890 40 0 DHABRN CCc1cc2c(cccc2OCC(=O)OC)n1Cc1ccccc1 ZINC000022010791 182303409 /nfs/dbraw/zinc/30/34/09/182303409.db2.gz FGOBZQSGNGDLJO-UHFFFAOYSA-N 0 0 323.392 3.804 40 0 DHABRN Cc1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1C ZINC000022236228 182314548 /nfs/dbraw/zinc/31/45/48/182314548.db2.gz DXVSONAPHNCBSD-UHFFFAOYSA-N 0 0 324.355 3.547 40 0 DHABRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1 ZINC000022530963 182325614 /nfs/dbraw/zinc/32/56/14/182325614.db2.gz UOQMGLILVITYNC-RZIFZGNASA-N 0 0 323.392 3.923 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000022524775 182325194 /nfs/dbraw/zinc/32/51/94/182325194.db2.gz UVHHJLHDGSWHHH-GJZGRUSLSA-N 0 0 313.397 3.648 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000022527397 182325280 /nfs/dbraw/zinc/32/52/80/182325280.db2.gz DLNPFGSKPRSOMP-INIZCTEOSA-N 0 0 321.779 3.953 40 0 DHABRN Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022540303 182325535 /nfs/dbraw/zinc/32/55/35/182325535.db2.gz ZSCLDNRGHMJKGZ-CQSZACIVSA-N 0 0 321.417 3.790 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000023530208 182363236 /nfs/dbraw/zinc/36/32/36/182363236.db2.gz HIFOIXBBFZNDJE-LSDHHAIUSA-N 0 0 313.397 3.648 40 0 DHABRN CC1(C)COC(CN(Cc2ccccc2)Cc2ccccc2)=N1 ZINC000024716650 182389134 /nfs/dbraw/zinc/38/91/34/182389134.db2.gz XTGLRZAIAFIHJY-UHFFFAOYSA-N 0 0 308.425 3.896 40 0 DHABRN CC(C)c1ccc(NC2=NCC(=O)N2Cc2cccs2)cc1 ZINC000026438573 182441671 /nfs/dbraw/zinc/44/16/71/182441671.db2.gz ITWYPWSXGRNXEO-UHFFFAOYSA-N 0 0 313.426 3.682 40 0 DHABRN CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000027938108 182499513 /nfs/dbraw/zinc/49/95/13/182499513.db2.gz VKUUOKHACALCKT-UHFFFAOYSA-N 0 0 317.698 3.828 40 0 DHABRN Cc1ccccc1Cn1ccc(NC(=O)Cc2ccc(F)cc2)n1 ZINC000028226639 182513120 /nfs/dbraw/zinc/51/31/20/182513120.db2.gz KWEGJYBKSUGHSH-UHFFFAOYSA-N 0 0 323.371 3.560 40 0 DHABRN CC(C)(C)OC(=O)N1CCC2(CC1)CNc1c(F)cccc1C2 ZINC000098214110 193791914 /nfs/dbraw/zinc/79/19/14/193791914.db2.gz HOZRRRFDTIMBRO-UHFFFAOYSA-N 0 0 320.408 3.811 40 0 DHABRN C[C@@H](NC(=O)Cc1cccs1)c1ccc(-n2cccc2)cc1 ZINC000032610536 182650096 /nfs/dbraw/zinc/65/00/96/182650096.db2.gz DJSHTUPUOXCZCT-CQSZACIVSA-N 0 0 310.422 3.959 40 0 DHABRN COC(=O)c1c(COCc2ccc(Cl)cc2)cccc1OC ZINC000035973515 182791013 /nfs/dbraw/zinc/79/10/13/182791013.db2.gz HLNBLTVZRCYZMG-UHFFFAOYSA-N 0 0 320.772 3.852 40 0 DHABRN COc1ccc([C@H](C)NC(=O)CSc2ccccc2)cc1 ZINC000038755005 183008375 /nfs/dbraw/zinc/00/83/75/183008375.db2.gz GJEWUYYZHMLFCC-ZDUSSCGKSA-N 0 0 301.411 3.665 40 0 DHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1F ZINC000038752869 183008615 /nfs/dbraw/zinc/00/86/15/183008615.db2.gz BOPBOCXGAJKICB-MRXNPFEDSA-N 0 0 303.333 3.630 40 0 DHABRN CC(C)(C)OC(=O)N1CCC(Oc2cc(F)ccc2F)CC1 ZINC000039953933 183023821 /nfs/dbraw/zinc/02/38/21/183023821.db2.gz BSKBAIKXWXHBKK-UHFFFAOYSA-N 0 0 313.344 3.743 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cccc(F)c2F)C1 ZINC000039953976 183023893 /nfs/dbraw/zinc/02/38/93/183023893.db2.gz IHMUDPJSFKCUFM-LLVKDONJSA-N 0 0 313.344 3.743 40 0 DHABRN CCCC[C@@H](CC)CNC(=O)CCc1ccc(OC)c(OC)c1 ZINC000040994835 183155186 /nfs/dbraw/zinc/15/51/86/183155186.db2.gz HNVRJWGZFDKOHL-OAHLLOKOSA-N 0 0 321.461 3.969 40 0 DHABRN CSc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1 ZINC000041019053 183156820 /nfs/dbraw/zinc/15/68/20/183156820.db2.gz AWIXHOOTMVJUTD-UHFFFAOYSA-N 0 0 321.471 3.955 40 0 DHABRN CC(C)(C)CC(C)(C)NC(=O)CCc1ccc2c(c1)OCO2 ZINC000042705642 183299790 /nfs/dbraw/zinc/29/97/90/183299790.db2.gz DICGCVRFHXYRMO-UHFFFAOYSA-N 0 0 305.418 3.679 40 0 DHABRN CC(C)Oc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000044195124 183397827 /nfs/dbraw/zinc/39/78/27/183397827.db2.gz HQYIMISSIYTOJJ-ZENOOKHLSA-N 0 0 304.459 3.949 40 0 DHABRN Cc1cc(OCC(=O)Nc2c(C)cc(N)cc2C)ccc1Cl ZINC000045890285 183534474 /nfs/dbraw/zinc/53/44/74/183534474.db2.gz HLUDKNBYEKKLBJ-UHFFFAOYSA-N 0 0 318.804 3.865 40 0 DHABRN O=C(Cc1cccs1)N1CCc2cc(Br)ccc21 ZINC000049303672 183724373 /nfs/dbraw/zinc/72/43/73/183724373.db2.gz BRYPLTLYQYFRLN-UHFFFAOYSA-N 0 0 322.227 3.642 40 0 DHABRN COc1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000049930335 183763741 /nfs/dbraw/zinc/76/37/41/183763741.db2.gz LKCFDHJIGUVJFX-UHFFFAOYSA-N 0 0 317.816 3.940 40 0 DHABRN CCN(CC)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000110438843 194330141 /nfs/dbraw/zinc/33/01/41/194330141.db2.gz YXGIYZNFXJHREK-UHFFFAOYSA-N 0 0 312.204 3.768 40 0 DHABRN CCCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1 ZINC000057340439 184033800 /nfs/dbraw/zinc/03/38/00/184033800.db2.gz ZGGFMQVBPJNIJJ-UHFFFAOYSA-N 0 0 314.385 3.709 40 0 DHABRN Cc1ccccc1CCN1CCOc2nc3ccccc3cc2C1 ZINC000057719216 184049785 /nfs/dbraw/zinc/04/97/85/184049785.db2.gz DUPARCKIQOGAMG-UHFFFAOYSA-N 0 0 318.420 3.980 40 0 DHABRN Cc1ccsc1CN(CCCO)Cc1cc(F)ccc1F ZINC000057822651 184055660 /nfs/dbraw/zinc/05/56/60/184055660.db2.gz RNROBDAOZMXINL-UHFFFAOYSA-N 0 0 311.397 3.719 40 0 DHABRN COc1cc(C)c(S(=O)(=O)Nc2ccccc2)cc1C(C)C ZINC000059233460 184136049 /nfs/dbraw/zinc/13/60/49/184136049.db2.gz WHSBTIFERGJYBQ-UHFFFAOYSA-N 0 0 319.426 3.928 40 0 DHABRN CC(C)(C)c1nnc(CCNc2cccc(C(F)(F)F)c2)[nH]1 ZINC000062719310 184250499 /nfs/dbraw/zinc/25/04/99/184250499.db2.gz OEYNTTQHFQNOOH-UHFFFAOYSA-N 0 0 312.339 3.776 40 0 DHABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)cc2F)c1 ZINC000065700427 184377236 /nfs/dbraw/zinc/37/72/36/184377236.db2.gz PCFUEZMYZARJOC-UHFFFAOYSA-N 0 0 321.779 3.905 40 0 DHABRN COC(=O)c1ccc(C)c(NC(=O)Cc2cccc(Cl)c2)c1 ZINC000067790334 184486271 /nfs/dbraw/zinc/48/62/71/184486271.db2.gz XMBKMHUFNGOCDD-UHFFFAOYSA-N 0 0 317.772 3.616 40 0 DHABRN COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000114426877 194655836 /nfs/dbraw/zinc/65/58/36/194655836.db2.gz GPNODRDZNZKQRH-NSHDSACASA-N 0 0 319.788 3.848 40 0 DHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000113942741 256584939 /nfs/dbraw/zinc/58/49/39/256584939.db2.gz ZJBGLPMGBXLRLL-INIZCTEOSA-N 0 0 321.323 3.770 40 0 DHABRN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000167106947 256587972 /nfs/dbraw/zinc/58/79/72/256587972.db2.gz QRNACKXLZPQDKE-IUODEOHRSA-N 0 0 313.850 3.683 40 0 DHABRN Cc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227783 257122476 /nfs/dbraw/zinc/12/24/76/257122476.db2.gz BTDVEIHAOLRLFE-GJZGRUSLSA-N 0 0 321.207 3.717 40 0 DHABRN O[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 ZINC000072225768 257123609 /nfs/dbraw/zinc/12/36/09/257123609.db2.gz ICCBLOPQFMVVEV-NRFANRHFSA-N 0 0 316.404 3.726 40 0 DHABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000072221874 257123948 /nfs/dbraw/zinc/12/39/48/257123948.db2.gz BZEHRTWPJLIWDI-CQSZACIVSA-N 0 0 307.390 3.776 40 0 DHABRN O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215990 257124854 /nfs/dbraw/zinc/12/48/54/257124854.db2.gz BERSOEWIDDNYKT-SFHVURJKSA-N 0 0 321.424 3.659 40 0 DHABRN COc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072211660 257127154 /nfs/dbraw/zinc/12/71/54/257127154.db2.gz YVZMTBVFIYBOCC-INIZCTEOSA-N 0 0 312.369 3.564 40 0 DHABRN CC(C)Oc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072211967 257127293 /nfs/dbraw/zinc/12/72/93/257127293.db2.gz FGKXWMHYDFGLQA-QGZVFWFLSA-N 0 0 310.397 3.846 40 0 DHABRN CCOC(=O)c1cnc2ccc(Cl)cc2c1N(CC)CC ZINC000034925901 257129560 /nfs/dbraw/zinc/12/95/60/257129560.db2.gz BHJNBFVLIATIRG-UHFFFAOYSA-N 0 0 306.793 3.911 40 0 DHABRN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000170387706 257216921 /nfs/dbraw/zinc/21/69/21/257216921.db2.gz YQKZEGUAPCNVOS-ZFWWWQNUSA-N 0 0 316.445 3.618 40 0 DHABRN Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000170317871 257216923 /nfs/dbraw/zinc/21/69/23/257216923.db2.gz MRNPYAGCTZTIKZ-UHFFFAOYSA-N 0 0 302.761 3.534 40 0 DHABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)c(C)c1 ZINC000059227398 257217298 /nfs/dbraw/zinc/21/72/98/257217298.db2.gz VQTIHFRPWRGKDJ-MRXNPFEDSA-N 0 0 322.408 3.603 40 0 DHABRN CC(C)C(=O)Nc1ccc(NC(=O)c2cccnc2Cl)cc1 ZINC000009141883 257218235 /nfs/dbraw/zinc/21/82/35/257218235.db2.gz ZJTOCRCFPKXCJF-UHFFFAOYSA-N 0 0 317.776 3.582 40 0 DHABRN Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3)n[nH]2)cc1 ZINC000006234021 257218601 /nfs/dbraw/zinc/21/86/01/257218601.db2.gz ZMZXUXIJLUNGRV-UHFFFAOYSA-N 0 0 324.409 3.511 40 0 DHABRN COc1cccc(NC(=S)NCCCc2ccccc2)c1 ZINC000006954399 257218779 /nfs/dbraw/zinc/21/87/79/257218779.db2.gz BGXLJNBECFYFQM-UHFFFAOYSA-N 0 0 300.427 3.614 40 0 DHABRN CC(C)OCCCNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000006328070 257218853 /nfs/dbraw/zinc/21/88/53/257218853.db2.gz GDYZDMZLHKMBKW-NBVRZTHBSA-N 0 0 313.397 3.752 40 0 DHABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1 ZINC000000513618 257219700 /nfs/dbraw/zinc/21/97/00/257219700.db2.gz XIYLPVDMTHLQNF-FMIVXFBMSA-N 0 0 308.381 3.561 40 0 DHABRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(F)cc1F ZINC000409220735 257220582 /nfs/dbraw/zinc/22/05/82/257220582.db2.gz FBDQSNFXGMONGU-VQHVLOKHSA-N 0 0 319.307 3.634 40 0 DHABRN CCCCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O ZINC000409209954 257220869 /nfs/dbraw/zinc/22/08/69/257220869.db2.gz ITHRGIHVFQMVBI-KAMYIIQDSA-N 0 0 305.399 3.922 40 0 DHABRN CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)c[nH]c21 ZINC000409136106 257221954 /nfs/dbraw/zinc/22/19/54/257221954.db2.gz SCDCDHSXTVTULO-JYRVWZFOSA-N 0 0 300.383 3.787 40 0 DHABRN CCOc1ccc(-n2c(C)nnc2Sc2ccccn2)cc1 ZINC000409099181 257222796 /nfs/dbraw/zinc/22/27/96/257222796.db2.gz JYTNMRSDWUGXTJ-UHFFFAOYSA-N 0 0 312.398 3.521 40 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ZINC000104150739 563562998 /nfs/dbraw/zinc/56/29/98/563562998.db2.gz PTHXIXLCTUJQTE-QGZVFWFLSA-N 0 0 316.360 3.584 40 0 DHABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(F)cc1 ZINC000113953701 563585916 /nfs/dbraw/zinc/58/59/16/563585916.db2.gz LFHJEWVTMBVKPM-QGZVFWFLSA-N 0 0 301.361 3.608 40 0 DHABRN CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000113968865 563586143 /nfs/dbraw/zinc/58/61/43/563586143.db2.gz WXNNDZUVFXBEQZ-RDTXWAMCSA-N 0 0 313.397 3.730 40 0 DHABRN CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(F)cc2)cc1 ZINC000113968819 563586381 /nfs/dbraw/zinc/58/63/81/563586381.db2.gz PNMJVJUJVRGEPO-SFHVURJKSA-N 0 0 315.388 3.862 40 0 DHABRN CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000113968862 563586400 /nfs/dbraw/zinc/58/64/00/563586400.db2.gz WXNNDZUVFXBEQZ-KDOFPFPSSA-N 0 0 313.397 3.730 40 0 DHABRN C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O ZINC000118929786 563593990 /nfs/dbraw/zinc/59/39/90/563593990.db2.gz GKHMLMUXODLNKN-ZPPBZJDISA-N 0 0 306.490 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DHABRN Fc1ccc2[nH]c3nc(SCc4ccccc4)nnc3c2c1 ZINC000000422470 563609633 /nfs/dbraw/zinc/60/96/33/563609633.db2.gz LXRBYFLBHABFHZ-UHFFFAOYSA-N 0 0 310.357 3.938 40 0 DHABRN COC(=O)CSc1nc(C2CCCCC2)nc2ccccc21 ZINC000001376430 563620882 /nfs/dbraw/zinc/62/08/82/563620882.db2.gz XITCYMXZNYCRIK-UHFFFAOYSA-N 0 0 316.426 3.943 40 0 DHABRN Cc1c(Cl)cccc1NC(=O)CN1Cc2ccccc2C1 ZINC000106303760 563637920 /nfs/dbraw/zinc/63/79/20/563637920.db2.gz IASHKZKAMREMPD-UHFFFAOYSA-N 0 0 300.789 3.603 40 0 DHABRN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CCO ZINC000006862930 563639275 /nfs/dbraw/zinc/63/92/75/563639275.db2.gz CWHFZCMDAMLBCY-LLVKDONJSA-N 0 0 317.216 3.762 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000012141939 563641064 /nfs/dbraw/zinc/64/10/64/563641064.db2.gz JJWUZISFHASVBC-CYBMUJFWSA-N 0 0 307.365 3.656 40 0 DHABRN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(Cl)cc1 ZINC000008560224 563643394 /nfs/dbraw/zinc/64/33/94/563643394.db2.gz CUGCLVIKFZXEHO-UHFFFAOYSA-N 0 0 316.763 3.933 40 0 DHABRN CCc1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1 ZINC000009064144 563644885 /nfs/dbraw/zinc/64/48/85/563644885.db2.gz OUIVHYMCTKSCOF-UHFFFAOYSA-N 0 0 312.438 3.938 40 0 DHABRN CCOC(=O)c1cccc(NC(=S)Nc2ccccc2)c1C ZINC000010113675 563647033 /nfs/dbraw/zinc/64/70/33/563647033.db2.gz IZVCWNSMGSOKGD-UHFFFAOYSA-N 0 0 314.410 3.981 40 0 DHABRN COc1ccc(OC[C@H](C)NC(=O)c2cccc(Cl)c2)cc1 ZINC000010542496 563649687 /nfs/dbraw/zinc/64/96/87/563649687.db2.gz RYIUBADEZWPSDO-LBPRGKRZSA-N 0 0 319.788 3.546 40 0 DHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F ZINC000113942654 563658210 /nfs/dbraw/zinc/65/82/10/563658210.db2.gz KUWONYYKLGQTKG-MRXNPFEDSA-N 0 0 321.323 3.770 40 0 DHABRN CCCOc1ccccc1C(=O)Nc1cc(OC)ccc1OC ZINC000014036492 563665420 /nfs/dbraw/zinc/66/54/20/563665420.db2.gz ASXNFMDTMAMNQU-UHFFFAOYSA-N 0 0 315.369 3.745 40 0 DHABRN COc1ccc(Cl)cc1NC(=O)CNc1ccc(F)cc1 ZINC000015085686 563673591 /nfs/dbraw/zinc/67/35/91/563673591.db2.gz BMJAZZVCPOFITF-UHFFFAOYSA-N 0 0 308.740 3.538 40 0 DHABRN O=C(/C=C/c1ccccc1Cl)NCCOc1ccccc1 ZINC000015555042 563674916 /nfs/dbraw/zinc/67/49/16/563674916.db2.gz XPDOPPQYTFDJSU-ZHACJKMWSA-N 0 0 301.773 3.548 40 0 DHABRN CCOc1ccc(Cl)cc1C(=O)Nc1ccc(OC)cc1 ZINC000021022469 563705765 /nfs/dbraw/zinc/70/57/65/563705765.db2.gz NVCJVTMVJRNTLX-UHFFFAOYSA-N 0 0 305.761 4.000 40 0 DHABRN Cc1c(C=O)c2ccccc2n1C(=O)COc1ccccc1F ZINC000218741871 563716919 /nfs/dbraw/zinc/71/69/19/563716919.db2.gz LVTCHAKGVQQRQF-UHFFFAOYSA-N 0 0 311.312 3.621 40 0 DHABRN CC(C)c1ccc(OCC(=O)NCCSC(C)(C)C)cc1 ZINC000218959287 563717417 /nfs/dbraw/zinc/71/74/17/563717417.db2.gz RDLRKABGCXGFAC-UHFFFAOYSA-N 0 0 309.475 3.837 40 0 DHABRN Cc1cc(C)c(C)c(OCC(=O)N2CCc3ccccc3C2)c1 ZINC000218964338 563717628 /nfs/dbraw/zinc/71/76/28/563717628.db2.gz QSERFKNEZUPWPY-UHFFFAOYSA-N 0 0 309.409 3.576 40 0 DHABRN Cc1ccc(Nc2nc(C(=O)N3CCCCC3)cs2)cc1 ZINC000000819396 563720925 /nfs/dbraw/zinc/72/09/25/563720925.db2.gz SLKJPZDRRBXMNW-UHFFFAOYSA-N 0 0 301.415 3.821 40 0 DHABRN 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3.511 40 0 DHABRN CCc1ccc(CC(=O)NCCSCc2ccccc2)cc1 ZINC000223074209 563730396 /nfs/dbraw/zinc/73/03/96/563730396.db2.gz XFTPNNXJZAKLHW-UHFFFAOYSA-N 0 0 313.466 3.841 40 0 DHABRN COc1ccc([C@H](C)NC(=O)CCc2ccc(F)cc2)cc1 ZINC000223020760 563730460 /nfs/dbraw/zinc/73/04/60/563730460.db2.gz HDIIQDORNSATGL-ZDUSSCGKSA-N 0 0 301.361 3.644 40 0 DHABRN Cc1ccc(OC[C@H](C)NC(=O)CCc2ccccc2F)cc1 ZINC000223094222 563731329 /nfs/dbraw/zinc/73/13/29/563731329.db2.gz BTVXGMQBSSBDON-HNNXBMFYSA-N 0 0 315.388 3.650 40 0 DHABRN COc1ccc(OC)c(NC(=O)CCc2ccc(C)c(C)c2)c1 ZINC000223375764 563733308 /nfs/dbraw/zinc/73/33/08/563733308.db2.gz CYODJTKPOQQLHW-UHFFFAOYSA-N 0 0 313.397 3.892 40 0 DHABRN O=C(Cc1ccccc1)NCCOc1cccc2ccccc21 ZINC000223508070 563734536 /nfs/dbraw/zinc/73/45/36/563734536.db2.gz BDUKUIHFCVNUFE-UHFFFAOYSA-N 0 0 305.377 3.578 40 0 DHABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1F ZINC000223668914 563735260 /nfs/dbraw/zinc/73/52/60/563735260.db2.gz LFUNEOZAGINZHN-UHFFFAOYSA-N 0 0 315.388 3.932 40 0 DHABRN CCCNC(=S)Nc1nc(C)c(Cl)cc1Br ZINC000223869798 563737143 /nfs/dbraw/zinc/73/71/43/563737143.db2.gz KIBYEBFTIZDYAM-UHFFFAOYSA-N 0 0 322.659 3.502 40 0 DHABRN CC[C@H](C)CCOC(=O)c1snnc1-c1ccc(F)cc1 ZINC000223841951 563737255 /nfs/dbraw/zinc/73/72/55/563737255.db2.gz ONSSUHKXJVSLAH-JTQLQIEISA-N 0 0 308.378 3.937 40 0 DHABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCC1 ZINC000223829322 563737354 /nfs/dbraw/zinc/73/73/54/563737354.db2.gz UMQIVPKGKAINQM-GOSISDBHSA-N 0 0 301.430 3.782 40 0 DHABRN Cc1ccc(CC(=O)NCCOc2cccc(C)c2C)cc1C ZINC000223936019 563737722 /nfs/dbraw/zinc/73/77/22/563737722.db2.gz ZSPFHYUHQNXGHG-UHFFFAOYSA-N 0 0 311.425 3.658 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 ZINC000223970159 563738732 /nfs/dbraw/zinc/73/87/32/563738732.db2.gz JZHSFXSHQWLVQQ-LLVKDONJSA-N 0 0 321.779 3.908 40 0 DHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCC1CCCCC1 ZINC000224159404 563739658 /nfs/dbraw/zinc/73/96/58/563739658.db2.gz YGCLJVPWVSFTAE-KRWDZBQOSA-N 0 0 305.418 3.549 40 0 DHABRN COCc1cc(C(=O)Nc2ccccc2SC)ccc1OC ZINC000224402045 563741212 /nfs/dbraw/zinc/74/12/12/563741212.db2.gz ZIYJTMNRPZDQGK-UHFFFAOYSA-N 0 0 317.410 3.816 40 0 DHABRN CCCOCc1cc(C(=O)NC2CCCCC2)ccc1OC ZINC000224410404 563741247 /nfs/dbraw/zinc/74/12/47/563741247.db2.gz UQUORFNVHFVSLS-UHFFFAOYSA-N 0 0 305.418 3.684 40 0 DHABRN CCc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1 ZINC000224398095 563741266 /nfs/dbraw/zinc/74/12/66/563741266.db2.gz COAQJKBBYIRSFX-HNNXBMFYSA-N 0 0 317.454 3.738 40 0 DHABRN CCOc1ccc(C(=O)N[C@@H](C)COc2ccccc2)cc1C ZINC000224439629 563741900 /nfs/dbraw/zinc/74/19/00/563741900.db2.gz SXYAVJBBLGAKFS-HNNXBMFYSA-N 0 0 313.397 3.591 40 0 DHABRN CCCCOCc1cc(C(=O)NC2CCCC2)ccc1OC ZINC000224433717 563741953 /nfs/dbraw/zinc/74/19/53/563741953.db2.gz GEKZCVQEHQRBDW-UHFFFAOYSA-N 0 0 305.418 3.684 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000028210616 563744935 /nfs/dbraw/zinc/74/49/35/563744935.db2.gz JSCYHYJXIUXGIO-UHFFFAOYSA-N 0 0 323.270 3.533 40 0 DHABRN Cc1ccc2oc(CCC(=O)NC[C@@H](C)c3ccccc3)nc2c1 ZINC000224947007 563745467 /nfs/dbraw/zinc/74/54/67/563745467.db2.gz CIVQJZUPINASHB-OAHLLOKOSA-N 0 0 322.408 3.989 40 0 DHABRN COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1C ZINC000224936769 563745530 /nfs/dbraw/zinc/74/55/30/563745530.db2.gz NNMNXCPVTDNIFN-UHFFFAOYSA-N 0 0 310.397 3.856 40 0 DHABRN Cc1ccccc1OCCNC(=O)Cc1ccc(Cl)cc1F ZINC000225130230 563748987 /nfs/dbraw/zinc/74/89/87/563748987.db2.gz GBEOTQOBYSDOCG-UHFFFAOYSA-N 0 0 321.779 3.525 40 0 DHABRN COc1ccc(-c2nc(-c3ccc(N)cc3Cl)no2)cc1 ZINC000225176017 563749784 /nfs/dbraw/zinc/74/97/84/563749784.db2.gz WZEPFFCDCBBZNA-UHFFFAOYSA-N 0 0 301.733 3.648 40 0 DHABRN CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1 ZINC000225137430 563749809 /nfs/dbraw/zinc/74/98/09/563749809.db2.gz DYDKHHMDPUYQCY-UHFFFAOYSA-N 0 0 321.345 3.592 40 0 DHABRN Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1C ZINC000225178395 563750591 /nfs/dbraw/zinc/75/05/91/563750591.db2.gz JERNZNNHIUGDDX-UHFFFAOYSA-N 0 0 315.388 3.570 40 0 DHABRN CCc1ccc(CC)c(CNC(=O)COc2ccccc2F)c1 ZINC000225275943 563751378 /nfs/dbraw/zinc/75/13/78/563751378.db2.gz JLZPLFZKVRSGQX-UHFFFAOYSA-N 0 0 315.388 3.646 40 0 DHABRN Cc1ccc(NC(=S)NCCSCc2ccccc2)nc1 ZINC000225291718 563751401 /nfs/dbraw/zinc/75/14/01/563751401.db2.gz ATHDKCXLCCMXPF-UHFFFAOYSA-N 0 0 317.483 3.610 40 0 DHABRN Cc1cccc(-c2nnc(CSc3nc4ccccc4[nH]3)[nH]2)c1 ZINC000040174589 563751430 /nfs/dbraw/zinc/75/14/30/563751430.db2.gz CDOVRTWQOLZHLY-UHFFFAOYSA-N 0 0 321.409 3.949 40 0 DHABRN COC(=O)c1cccc(NC(=S)NC2CCCCCC2)c1C ZINC000225353398 563752678 /nfs/dbraw/zinc/75/26/78/563752678.db2.gz RRYFATFRPXORJZ-UHFFFAOYSA-N 0 0 320.458 3.791 40 0 DHABRN CCOC(=O)c1cccc(NC(=S)NCCC(C)C)c1C ZINC000225380451 563753383 /nfs/dbraw/zinc/75/33/83/563753383.db2.gz VENPJIFMOSBWAR-UHFFFAOYSA-N 0 0 308.447 3.504 40 0 DHABRN COc1ccc(NC(=S)NCCC(C)C)c2cccnc12 ZINC000225381430 563753391 /nfs/dbraw/zinc/75/33/91/563753391.db2.gz SXNYYWBZRIJEHJ-UHFFFAOYSA-N 0 0 303.431 3.576 40 0 DHABRN CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1C ZINC000225404516 563754001 /nfs/dbraw/zinc/75/40/01/563754001.db2.gz VEZJXEUURJHGAD-INIZCTEOSA-N 0 0 311.381 3.647 40 0 DHABRN CCCOC(=O)c1ccc(Nc2ccccc2OC)c(N)c1 ZINC000225429617 563754445 /nfs/dbraw/zinc/75/44/45/563754445.db2.gz AWZUQDUBMFIXIZ-UHFFFAOYSA-N 0 0 300.358 3.588 40 0 DHABRN COc1ccc(C)cc1Nc1ccc(C(=O)OC(C)C)cc1N ZINC000225433979 563755030 /nfs/dbraw/zinc/75/50/30/563755030.db2.gz MBLRQTMCLOFOGU-UHFFFAOYSA-N 0 0 314.385 3.895 40 0 DHABRN COc1ccccc1CCCNC(=O)Cc1ccccc1Cl ZINC000225439039 563755036 /nfs/dbraw/zinc/75/50/36/563755036.db2.gz DXTPCPXHNKMDEG-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN CCOc1ccccc1CNC(=S)Nc1c(F)cccc1F ZINC000225442550 563755380 /nfs/dbraw/zinc/75/53/80/563755380.db2.gz FCRGOAGCWNMTPV-UHFFFAOYSA-N 0 0 322.380 3.850 40 0 DHABRN Nc1ccc(Nc2ccccc2Cl)c(C(=O)NC2CC2)c1 ZINC000225469934 563756145 /nfs/dbraw/zinc/75/61/45/563756145.db2.gz HYTYDKCACNFTDR-UHFFFAOYSA-N 0 0 301.777 3.558 40 0 DHABRN CCCOC(=O)c1cc(N)ccc1Nc1ccc(OCC)cc1 ZINC000225479540 563756602 /nfs/dbraw/zinc/75/66/02/563756602.db2.gz WYPYJWFVXHLZGD-UHFFFAOYSA-N 0 0 314.385 3.978 40 0 DHABRN COc1ccccc1Nc1ccc(N)cc1C(=O)OC(C)C ZINC000225477582 563756674 /nfs/dbraw/zinc/75/66/74/563756674.db2.gz GYKQIXAXVFCBDK-UHFFFAOYSA-N 0 0 300.358 3.586 40 0 DHABRN CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)N[C@H](C)CC ZINC000225490972 563757063 /nfs/dbraw/zinc/75/70/63/563757063.db2.gz VTVLMQCEQYBMCG-WBVHZDCISA-N 0 0 318.461 3.509 40 0 DHABRN CCc1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 ZINC000225744271 563761738 /nfs/dbraw/zinc/76/17/38/563761738.db2.gz CWLCMWRRXSSYNX-UHFFFAOYSA-N 0 0 320.392 3.511 40 0 DHABRN C[C@@H]([NH2+]CC1CCCC1)c1onc(-c2ccccc2)c1C(=O)[O-] ZINC000096296885 563763158 /nfs/dbraw/zinc/76/31/58/563763158.db2.gz GHVJDGKNVYXOHM-GFCCVEGCSA-N 0 0 314.385 3.881 40 0 biogenic,in-vitro DHABRN Cc1ccccc1NC(=O)c1cnc(Cc2ccccc2)nc1C ZINC000225792823 563763551 /nfs/dbraw/zinc/76/35/51/563763551.db2.gz WLBLCYAWPNFBRC-UHFFFAOYSA-N 0 0 317.392 3.937 40 0 DHABRN CCOc1ccccc1NC(=S)NCc1cccc(F)c1 ZINC000225836568 563764260 /nfs/dbraw/zinc/76/42/60/563764260.db2.gz SVGYKPGUWUGQOV-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 ZINC000225865091 563765432 /nfs/dbraw/zinc/76/54/32/563765432.db2.gz LGOWMLOEELQVJW-UHFFFAOYSA-N 0 0 310.397 3.931 40 0 DHABRN Cc1ccc(NC(=S)NC2(c3ccco3)CCCC2)nc1 ZINC000225872710 563765837 /nfs/dbraw/zinc/76/58/37/563765837.db2.gz CSCQZJZUODVKKG-UHFFFAOYSA-N 0 0 301.415 3.739 40 0 DHABRN S=C(Nc1ccncc1)NC1(c2cccs2)CCCC1 ZINC000225874569 563765845 /nfs/dbraw/zinc/76/58/45/563765845.db2.gz TZDWXIJBOYYBIA-UHFFFAOYSA-N 0 0 303.456 3.899 40 0 DHABRN CCc1nc2cc(C(=O)N(C)c3ccc(F)cc3)ccc2n1C ZINC000225895327 563766592 /nfs/dbraw/zinc/76/65/92/563766592.db2.gz HWGHJKHLDAYVKI-UHFFFAOYSA-N 0 0 311.360 3.551 40 0 DHABRN CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)c(C)n1 ZINC000225898518 563766623 /nfs/dbraw/zinc/76/66/23/563766623.db2.gz BQRTVQSURCWMCX-UHFFFAOYSA-N 0 0 320.433 3.857 40 0 DHABRN CCCOc1ncc(NC(=O)[C@](C)(CCC)OCC)cc1C ZINC000225895353 563766647 /nfs/dbraw/zinc/76/66/47/563766647.db2.gz PEPUSTXJLZRVAP-KRWDZBQOSA-N 0 0 308.422 3.713 40 0 DHABRN CCOc1ncc(NC(=O)C2(OCC)CCCCCC2)cc1C ZINC000225899623 563767011 /nfs/dbraw/zinc/76/70/11/563767011.db2.gz LYQICQYLDUFAQU-UHFFFAOYSA-N 0 0 320.433 3.857 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c(C)n1 ZINC000225902366 563767124 /nfs/dbraw/zinc/76/71/24/563767124.db2.gz COVGVBBLCZPRQP-SFHVURJKSA-N 0 0 320.433 3.713 40 0 DHABRN CCCOC1(C(=O)Nc2cnc(OCC)c(C)c2)CCCCC1 ZINC000225909742 563767130 /nfs/dbraw/zinc/76/71/30/563767130.db2.gz UUDNYJLRLGEKAU-UHFFFAOYSA-N 0 0 320.433 3.857 40 0 DHABRN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)nc1 ZINC000225904472 563767278 /nfs/dbraw/zinc/76/72/78/563767278.db2.gz PALMLCQYENNSTP-QGZVFWFLSA-N 0 0 308.422 3.650 40 0 DHABRN C[C@@H](NC(=O)c1ccc2nc(Cl)oc2c1)c1ccccc1 ZINC000225977470 563767950 /nfs/dbraw/zinc/76/79/50/563767950.db2.gz QISPTSFYNZXNBF-SNVBAGLBSA-N 0 0 300.745 3.972 40 0 DHABRN CCn1c(Cl)nc2cc(C(=O)NC3CCCCC3)ccc21 ZINC000225987421 563767974 /nfs/dbraw/zinc/76/79/74/563767974.db2.gz DNUWJOWZNIAIRS-UHFFFAOYSA-N 0 0 305.809 3.772 40 0 DHABRN Cc1cccc2cc(C(=O)NC3CCCCCCC3)c(=O)oc12 ZINC000226035776 563768632 /nfs/dbraw/zinc/76/86/32/563768632.db2.gz IYSAHIANENSIPU-UHFFFAOYSA-N 0 0 313.397 3.944 40 0 DHABRN S=c1oc(COc2ccccc2)nn1CN1CCCCCC1 ZINC000059484597 563771749 /nfs/dbraw/zinc/77/17/49/563771749.db2.gz LECXYWHWUJWGRR-UHFFFAOYSA-N 0 0 319.430 3.618 40 0 DHABRN CCc1sc2ncnc(Cl)c2c1I ZINC000685939173 563772935 /nfs/dbraw/zinc/77/29/35/563772935.db2.gz MOUNVTUFUIBMMH-UHFFFAOYSA-N 0 0 324.574 3.512 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1Cl ZINC000097074601 563774483 /nfs/dbraw/zinc/77/44/83/563774483.db2.gz AGBAWIRJXCVEON-OAHLLOKOSA-N 0 0 321.779 3.953 40 0 DHABRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)[nH]1 ZINC000260769236 563781073 /nfs/dbraw/zinc/78/10/73/563781073.db2.gz KPWJNUCQURHGGQ-XFBWCDHKSA-N 0 0 312.442 3.616 40 0 DHABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccs2)S1 ZINC000260769126 563781121 /nfs/dbraw/zinc/78/11/21/563781121.db2.gz KGIPBQCACLWJFH-DDTOSNHZSA-N 0 0 301.440 3.732 40 0 DHABRN Cc1cnc([C@@H]2CCCN(C(=O)c3sccc3C)C2)s1 ZINC000257209531 563789917 /nfs/dbraw/zinc/78/99/17/563789917.db2.gz BQTVMNNBRCFLNO-GFCCVEGCSA-N 0 0 306.456 3.841 40 0 DHABRN Cc1cnc(C2(C)CCN(C(=O)c3cccs3)CC2)s1 ZINC000257241647 563791747 /nfs/dbraw/zinc/79/17/47/563791747.db2.gz HYXQRRHOGYVGJS-UHFFFAOYSA-N 0 0 306.456 3.707 40 0 DHABRN O=C(c1cccc2cccnc21)N1CCC[C@H](c2nccs2)C1 ZINC000257233614 563791854 /nfs/dbraw/zinc/79/18/54/563791854.db2.gz GPZPCXKQPLCTRI-AWEZNQCLSA-N 0 0 323.421 3.711 40 0 DHABRN O=Cc1cn(C(=O)COc2ccccc2Cl)c2ccccc12 ZINC000049928139 563812433 /nfs/dbraw/zinc/81/24/33/563812433.db2.gz JJKQDVUJGMRNIT-UHFFFAOYSA-N 0 0 313.740 3.826 40 0 DHABRN Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(N)c1 ZINC000070462880 563813222 /nfs/dbraw/zinc/81/32/22/563813222.db2.gz NGHFHYHGACXFDA-UHFFFAOYSA-N 0 0 312.413 3.892 40 0 DHABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5n[nH]cc5C[C@@]43C)[C@@H]1CCC2=O ZINC000077271589 563817078 /nfs/dbraw/zinc/81/70/78/563817078.db2.gz DWNBEZNZHITBEX-IGVQRDAMSA-N 0 0 312.457 3.936 40 0 in-vitro DHABRN CCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000329049552 563833559 /nfs/dbraw/zinc/83/35/59/563833559.db2.gz UPWBVJKWGCWWEP-UHFFFAOYSA-N 0 0 324.815 3.816 40 0 DHABRN Cc1ccccc1Nc1cc(C2CC2)nc(NC2CCCC2)n1 ZINC000329030695 563833675 /nfs/dbraw/zinc/83/36/75/563833675.db2.gz QEXKRZIFGRWEAU-UHFFFAOYSA-N 0 0 308.429 3.604 40 0 DHABRN CCNc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000329070017 563834190 /nfs/dbraw/zinc/83/41/90/563834190.db2.gz ZCVOPOGKCWRYGV-UHFFFAOYSA-N 0 0 324.815 3.816 40 0 DHABRN CCOc1ccccc1OCCCn1c(C=O)nc2ccccc21 ZINC000011735053 563836158 /nfs/dbraw/zinc/83/61/58/563836158.db2.gz DFLZBUQCMMIKLH-UHFFFAOYSA-N 0 0 324.380 3.717 40 0 DHABRN Fc1ccc(NCC2N=NC(=S)N2C2CCCCC2)cc1 ZINC000013534682 563839733 /nfs/dbraw/zinc/83/97/33/563839733.db2.gz ZVKIKPKRIMASHF-UHFFFAOYSA-N 0 0 306.410 3.823 40 0 DHABRN NC(=O)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000216795861 563852013 /nfs/dbraw/zinc/85/20/13/563852013.db2.gz RZXDEUIDOOHKEJ-UHFFFAOYSA-N 0 0 307.136 3.901 40 0 DHABRN Cc1cccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000000571626 563854292 /nfs/dbraw/zinc/85/42/92/563854292.db2.gz UXIBINCPQRDIAU-UHFFFAOYSA-N 0 0 323.845 3.923 40 0 DHABRN CCc1ccccc1NC(=O)/C=C/c1c(OC)cccc1OC ZINC000000574330 563854464 /nfs/dbraw/zinc/85/44/64/563854464.db2.gz XUEOVGWYZCKIMM-OUKQBFOZSA-N 0 0 311.381 3.918 40 0 DHABRN O=C(COC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000003398679 563854877 /nfs/dbraw/zinc/85/48/77/563854877.db2.gz QBLBHCPGINPTGZ-UHFFFAOYSA-N 0 0 324.163 3.789 40 0 DHABRN COC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 ZINC000216804862 563855451 /nfs/dbraw/zinc/85/54/51/563855451.db2.gz GSSXXFSLRKQOBY-UHFFFAOYSA-N 0 0 306.745 3.714 40 0 DHABRN O=C(COC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000003398788 563855636 /nfs/dbraw/zinc/85/56/36/563855636.db2.gz MHQIFIVGMZVPSY-UHFFFAOYSA-N 0 0 324.163 3.789 40 0 DHABRN Cc1nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2nc1C ZINC000028539702 563857129 /nfs/dbraw/zinc/85/71/29/563857129.db2.gz SKKUXSVURADANW-UHFFFAOYSA-N 0 0 320.396 3.565 40 0 DHABRN CC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000067802726 563868711 /nfs/dbraw/zinc/86/87/11/563868711.db2.gz SOKVNNNOBLWBSY-UHFFFAOYSA-N 0 0 312.207 3.963 40 0 DHABRN CCCc1nnc(NC(=O)CCCOc2cccc(C)c2)s1 ZINC000001903408 563883465 /nfs/dbraw/zinc/88/34/65/563883465.db2.gz ZDHOYCQILSHMEQ-UHFFFAOYSA-N 0 0 319.430 3.597 40 0 DHABRN CCc1ccc(OCC(=O)Nc2c(C)cc(N)cc2CC)cc1 ZINC000045890080 563888285 /nfs/dbraw/zinc/88/82/85/563888285.db2.gz OTCQNNKFWIAQGP-UHFFFAOYSA-N 0 0 312.413 3.720 40 0 DHABRN CNc1nc(NCc2ccccc2Cl)cc(C(F)(F)F)n1 ZINC000161794968 563892918 /nfs/dbraw/zinc/89/29/18/563892918.db2.gz BVQLAWZWWYTIIV-UHFFFAOYSA-N 0 0 316.714 3.803 40 0 DHABRN O=C(CN1Cc2ccccc2C1)Nc1cccc2ccccc21 ZINC000155547003 563895229 /nfs/dbraw/zinc/89/52/29/563895229.db2.gz JHVSULGSYXIPRM-UHFFFAOYSA-N 0 0 302.377 3.794 40 0 DHABRN CNc1nc(NCc2cccc(Cl)c2)cc(C(F)(F)F)n1 ZINC000162012795 563898750 /nfs/dbraw/zinc/89/87/50/563898750.db2.gz HXJRYIRRYHMTLD-UHFFFAOYSA-N 0 0 316.714 3.803 40 0 DHABRN CNc1nc(Nc2ccc(F)c(C)c2)cc(C(F)(F)F)n1 ZINC000162017087 563898881 /nfs/dbraw/zinc/89/88/81/563898881.db2.gz ULTLSGUBTNRZLF-UHFFFAOYSA-N 0 0 300.259 3.728 40 0 DHABRN COc1ccc2[nH]cc(CCC(=O)c3ccc4c(c3)OCO4)c2c1 ZINC000199737199 563914375 /nfs/dbraw/zinc/91/43/75/563914375.db2.gz VMRMAORFPZSNBB-UHFFFAOYSA-N 0 0 323.348 3.721 40 0 DHABRN C[C@]12C[C@H](NC(=S)N1CCc1ccccc1)c1ccccc1O2 ZINC000012415483 563920950 /nfs/dbraw/zinc/92/09/50/563920950.db2.gz IQDZSSFZPRHATQ-LPHOPBHVSA-N 0 0 324.449 3.659 40 0 DHABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OC ZINC000006356030 563921530 /nfs/dbraw/zinc/92/15/30/563921530.db2.gz LELRCBGRJFNWAZ-ADVUTCEVSA-N 0 0 321.398 3.539 40 0 DHABRN CCc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 ZINC000008086009 563922055 /nfs/dbraw/zinc/92/20/55/563922055.db2.gz UJBDIFFSJINQKW-UHFFFAOYSA-N 0 0 308.425 3.820 40 0 DHABRN Cc1cccc(N2C[C@@H](C(=O)Oc3c(C)cccc3C)CC2=O)c1 ZINC000007929072 563922108 /nfs/dbraw/zinc/92/21/08/563922108.db2.gz UGHYAOVHISGHBO-INIZCTEOSA-N 0 0 323.392 3.570 40 0 DHABRN CC(=O)Nc1cccc(-c2nc(SCc3ccccc3)n[nH]2)c1 ZINC000007605048 563922123 /nfs/dbraw/zinc/92/21/23/563922123.db2.gz JSTRRJRZWWXFDL-UHFFFAOYSA-N 0 0 324.409 3.722 40 0 DHABRN Cc1c(F)cccc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000008330328 563922322 /nfs/dbraw/zinc/92/23/22/563922322.db2.gz HRJUQXPEAQVRKA-UHFFFAOYSA-N 0 0 321.735 3.583 40 0 DHABRN CCN1c2ccccc2/C(=C/c2ccc(OC)cc2OC)C1=O ZINC000142757048 563923505 /nfs/dbraw/zinc/92/35/05/563923505.db2.gz AGNDTHPDQAGMRY-WJDWOHSUSA-N 0 0 309.365 3.611 40 0 DHABRN ON1C(c2ccc(Cl)cc2Cl)N(O)[C@H]2CCCC[C@H]21 ZINC000013115975 563929350 /nfs/dbraw/zinc/92/93/50/563929350.db2.gz GBTQIQHSKGDVDJ-FUNVUKJBSA-N 0 0 303.189 3.699 40 0 DHABRN CCn1c(=O)cc(C(F)F)c2cc(Br)ccc21 ZINC000225758092 563938558 /nfs/dbraw/zinc/93/85/58/563938558.db2.gz USQMZPRHSYHENP-UHFFFAOYSA-N 0 0 302.118 3.722 40 0 DHABRN CC(C)(C)OC(=O)NC[C@@H]1CCCC(=O)[C@@H]1c1ccccc1 ZINC000225751095 563938582 /nfs/dbraw/zinc/93/85/82/563938582.db2.gz QRGRWLRFDOFXKK-GOEBONIOSA-N 0 0 303.402 3.664 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000003053206 563941734 /nfs/dbraw/zinc/94/17/34/563941734.db2.gz PSZYYZMICBJVSF-UHFFFAOYSA-N 0 0 315.394 3.594 40 0 DHABRN C/C(=C/CO)CC[C@H]1[C@]2(C)C[C@H](O)CC(C)(C)[C@H]2CC[C@]1(C)O ZINC000067902540 563950659 /nfs/dbraw/zinc/95/06/59/563950659.db2.gz JNELTBHOLOQEJH-LPULDKDHSA-N 0 0 324.505 3.670 40 0 biogenic,in-vitro DHABRN CC(C)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)n1 ZINC000328980764 563959917 /nfs/dbraw/zinc/95/99/17/563959917.db2.gz GOOVCHTYTADPIL-UHFFFAOYSA-N 0 0 302.809 4.571 40 0 DHABRN COc1ccc(Cl)c(Nc2cc(Cl)nc(CC3CC3)n2)c1 ZINC000329007203 563960246 /nfs/dbraw/zinc/96/02/46/563960246.db2.gz LIUHMDRDLRUPNN-UHFFFAOYSA-N 0 0 324.211 4.488 40 0 DHABRN Cc1nc2ccccc2c(C)c1C(=O)NCC[C@@H]1CCCCO1 ZINC000281419843 563961565 /nfs/dbraw/zinc/96/15/65/563961565.db2.gz ZXBIMHWTPSTORG-HNNXBMFYSA-N 0 0 312.413 3.541 40 0 DHABRN CCN(CC)C(=O)CSCc1ccccc1Br ZINC000185334584 568415867 /nfs/dbraw/zinc/41/58/67/568415867.db2.gz YTDMXOQPHWUPLP-UHFFFAOYSA-N 0 0 316.264 3.551 40 0 DHABRN CCOC(=O)Nc1ccc2c3c(c(=O)oc2c1)-c1ccccc1C3 ZINC000255190561 568417108 /nfs/dbraw/zinc/41/71/08/568417108.db2.gz XZRZGEUPYLYWNI-UHFFFAOYSA-N 0 0 321.332 3.933 40 0 DHABRN COc1c2[nH]c(C)c(C)c2cc2c(C(F)(F)F)cc(=O)[nH]c21 ZINC000009692009 568421972 /nfs/dbraw/zinc/42/19/72/568421972.db2.gz XHPUXWSRZGTSQB-UHFFFAOYSA-N 0 0 310.275 3.654 40 0 DHABRN Cc1cc(C)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000014426240 1012950299 /nfs/dbraw/zinc/95/02/99/1012950299.db2.gz AUVKPQLTWNGJPL-UHFFFAOYSA-N 0 0 322.408 3.991 40 0 DHABRN CC1(C)COC(c2ccc(C3OCC(C)(C)CO3)cc2)OC1 ZINC000196619324 1019316798 /nfs/dbraw/zinc/31/67/98/1019316798.db2.gz HIQDOZWEMPSHQO-UHFFFAOYSA-N 0 0 306.402 3.830 40 0 DHABRN O=C(OCc1ccccc1)N1CCC[C@H]1c1nnccc1Cl ZINC000256051981 1019706239 /nfs/dbraw/zinc/70/62/39/1019706239.db2.gz LKFBRCGBWCEOGM-AWEZNQCLSA-N 0 0 317.776 3.604 40 0 DHABRN CCSc1ncnc2c(-c3ccc(OC)cc3)nsc21 ZINC000000902787 1019971506 /nfs/dbraw/zinc/97/15/06/1019971506.db2.gz PDMHONKPECTGQA-UHFFFAOYSA-N 0 0 303.412 3.874 40 0 DHABRN O=c1c2cccc(Br)c2cnn1C1CCCCC1 ZINC000095097286 1022011751 /nfs/dbraw/zinc/01/17/51/1022011751.db2.gz SZKDSMDOVOZYIW-UHFFFAOYSA-N 0 0 307.191 3.664 40 0 DHABRN COc1ccc(NC(=S)Nc2ccc(OC)c(F)c2)cc1F ZINC000071325933 1022149633 /nfs/dbraw/zinc/14/96/33/1022149633.db2.gz KOZSNUCTLMVUMF-UHFFFAOYSA-N 0 0 324.352 3.791 40 0 DHABRN COC(=O)c1cccc(NC(=S)Nc2cc(C)ccc2F)c1 ZINC000071325942 1022150010 /nfs/dbraw/zinc/15/00/10/1022150010.db2.gz BXQJPHXGDKKKBT-UHFFFAOYSA-N 0 0 318.373 3.730 40 0 DHABRN CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000042646500 1022492103 /nfs/dbraw/zinc/49/21/03/1022492103.db2.gz RNYGXPYBSMYTOW-OAHLLOKOSA-N 0 0 324.424 3.668 40 0 DHABRN CCOC(=O)c1cc(NC(=O)Cc2cccs2)ccc1Cl ZINC000223281206 1024591166 /nfs/dbraw/zinc/59/11/66/1024591166.db2.gz ZJPSUBUTDZDXDO-UHFFFAOYSA-N 0 0 323.801 3.759 40 0 DHABRN Cc1ccnc(NC(=S)NCCSC2CCCCC2)c1 ZINC000225359421 201696912 /nfs/dbraw/zinc/69/69/12/201696912.db2.gz DUTIDOASGKCRRA-UHFFFAOYSA-N 0 0 309.504 3.742 40 0 DHABRN CC1(C)COc2ccc([C@H](O)c3ccccc3F)cc2OC1 ZINC000225356883 201697118 /nfs/dbraw/zinc/69/71/18/201697118.db2.gz PIAGHEDQDOATOZ-KRWDZBQOSA-N 0 0 302.345 3.705 40 0 DHABRN COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000096659251 185384949 /nfs/dbraw/zinc/38/49/49/185384949.db2.gz CIBZNRLNHNRVMD-UHFFFAOYSA-N 0 0 319.426 3.730 40 0 DHABRN CCc1ccccc1NS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000096659259 185385157 /nfs/dbraw/zinc/38/51/57/185385157.db2.gz GDRAEADUYDOEHQ-UHFFFAOYSA-N 0 0 319.426 3.675 40 0 DHABRN Cc1ccc(C)c(OCC(=O)NC(C)(C)Cc2ccccc2)c1 ZINC000096761815 185386767 /nfs/dbraw/zinc/38/67/67/185386767.db2.gz GJTFTWPADALOAV-UHFFFAOYSA-N 0 0 311.425 3.820 40 0 DHABRN Cc1ccnc(S[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000079440823 185171645 /nfs/dbraw/zinc/17/16/45/185171645.db2.gz KROJLDLJWZQBME-CYBMUJFWSA-N 0 0 308.447 3.882 40 0 DHABRN O=C(Cc1ccccc1Cl)NCCSCc1ccco1 ZINC000225435604 201708478 /nfs/dbraw/zinc/70/84/78/201708478.db2.gz XDJBCDQOCCHYQH-UHFFFAOYSA-N 0 0 309.818 3.525 40 0 DHABRN CCOc1ccc(CCCNC(=O)Cc2ccccc2F)cc1 ZINC000225448520 201710023 /nfs/dbraw/zinc/71/00/23/201710023.db2.gz OKDULAWKNFIVNI-UHFFFAOYSA-N 0 0 315.388 3.516 40 0 DHABRN CC(C)(C)OC(=O)N1CC(Nc2ccc(C(F)(F)F)cc2)C1 ZINC000090635725 185307673 /nfs/dbraw/zinc/30/76/73/185307673.db2.gz WZWATNCRKNCUDQ-UHFFFAOYSA-N 0 0 316.323 3.737 40 0 DHABRN CC(C)Oc1ccc(CCCNC(=O)c2ccccc2F)cc1 ZINC000010542352 190633889 /nfs/dbraw/zinc/63/38/89/190633889.db2.gz ZVGSXYRDGWVKPZ-UHFFFAOYSA-N 0 0 315.388 3.976 40 0 DHABRN Cc1cccc(NC(=S)NCc2cccc(OC(C)C)c2)n1 ZINC000225525158 201725735 /nfs/dbraw/zinc/72/57/35/201725735.db2.gz SNTRSQZWUQERBK-UHFFFAOYSA-N 0 0 315.442 3.664 40 0 DHABRN CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 ZINC000225859193 201756231 /nfs/dbraw/zinc/75/62/31/201756231.db2.gz MHAPELYMZGBXJZ-UHFFFAOYSA-N 0 0 310.397 3.931 40 0 DHABRN Cc1ccnc(NC(=S)NC2(c3ccccn3)CCCC2)c1 ZINC000225873480 201756930 /nfs/dbraw/zinc/75/69/30/201756930.db2.gz QAPLBVUYMJZWNT-UHFFFAOYSA-N 0 0 312.442 3.541 40 0 DHABRN Cc1nn(C)c(C)c1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000225885144 201758690 /nfs/dbraw/zinc/75/86/90/201758690.db2.gz RIAUKNJYHAOJSE-UHFFFAOYSA-N 0 0 319.408 3.556 40 0 DHABRN CCCO[C@@](C)(CC(C)C)C(=O)Nc1cnc(OC)c(C)c1 ZINC000225904873 201760268 /nfs/dbraw/zinc/76/02/68/201760268.db2.gz SXBRPYNBOCKRRP-KRWDZBQOSA-N 0 0 308.422 3.569 40 0 DHABRN CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cn1 ZINC000225899952 201761302 /nfs/dbraw/zinc/76/13/02/201761302.db2.gz CFXVBFSXKUWWLO-KBXCAEBGSA-N 0 0 320.433 3.794 40 0 DHABRN CCOc1ccc(C(=O)NCCSc2ccccc2)cc1C ZINC000225577049 186279627 /nfs/dbraw/zinc/27/96/27/186279627.db2.gz JARGDJNMOOWCCK-UHFFFAOYSA-N 0 0 315.438 3.916 40 0 DHABRN CC1(C)C[C@H](NC(=S)Nc2ccncc2)c2ccccc2O1 ZINC000225579591 186279954 /nfs/dbraw/zinc/27/99/54/186279954.db2.gz SJWJJIFIMZJOKT-AWEZNQCLSA-N 0 0 313.426 3.670 40 0 DHABRN CSc1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000225593863 186280968 /nfs/dbraw/zinc/28/09/68/186280968.db2.gz MQVDBCPMYDCVKN-UHFFFAOYSA-N 0 0 311.403 3.657 40 0 DHABRN CCOc1ccc(NC(=O)C(C)(C)Br)cc1Cl ZINC000225596018 186281450 /nfs/dbraw/zinc/28/14/50/186281450.db2.gz MLFHTMRQDQVQNH-UHFFFAOYSA-N 0 0 320.614 3.851 40 0 DHABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000225601086 186282199 /nfs/dbraw/zinc/28/21/99/186282199.db2.gz VVJZKBTUBRJLFG-ZDUSSCGKSA-N 0 0 321.417 3.736 40 0 DHABRN CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1C ZINC000225599776 186282246 /nfs/dbraw/zinc/28/22/46/186282246.db2.gz SLYWFDPWMVRQBP-INIZCTEOSA-N 0 0 321.417 3.872 40 0 DHABRN Cc1cc(S(=O)(=O)Nc2cccc(OC(C)C)c2)ccc1F ZINC000225605894 186282643 /nfs/dbraw/zinc/28/26/43/186282643.db2.gz CVSRDMDOQRAQAB-UHFFFAOYSA-N 0 0 323.389 3.722 40 0 DHABRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000225607062 186282915 /nfs/dbraw/zinc/28/29/15/186282915.db2.gz RZGSKHBPGCSYMA-AWEZNQCLSA-N 0 0 321.417 3.790 40 0 DHABRN COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1C ZINC000225610475 186283544 /nfs/dbraw/zinc/28/35/44/186283544.db2.gz KGFXXQXBSJPSLJ-UHFFFAOYSA-N 0 0 301.411 3.907 40 0 DHABRN CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C ZINC000225637198 186285419 /nfs/dbraw/zinc/28/54/19/186285419.db2.gz KANDUDJZKWZKFZ-UGSOOPFHSA-N 0 0 305.418 3.928 40 0 DHABRN Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(F)c2)cc1 ZINC000225641041 186286042 /nfs/dbraw/zinc/28/60/42/186286042.db2.gz BKGOCHPBVHCJFT-ZDUSSCGKSA-N 0 0 318.417 3.888 40 0 DHABRN CCSc1nnc(NC(=O)c2cc(C)c(C)cc2C)s1 ZINC000225653351 186287066 /nfs/dbraw/zinc/28/70/66/186287066.db2.gz KSDPRZNHFKCXCX-UHFFFAOYSA-N 0 0 307.444 3.828 40 0 DHABRN O=C(CCc1ccco1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000072346765 191127138 /nfs/dbraw/zinc/12/71/38/191127138.db2.gz YCYNQPFROZUQHJ-KRWDZBQOSA-N 0 0 323.396 3.842 40 0 DHABRN Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccco1)CCO3 ZINC000072392462 191147880 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/nfs/dbraw/zinc/22/06/71/182220671.db2.gz NCYSBEQQAISGLL-HNNXBMFYSA-N 0 0 309.409 3.601 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(Cl)c1 ZINC000020486672 182224019 /nfs/dbraw/zinc/22/40/19/182224019.db2.gz DRQRFPFOKHXJJS-UHFFFAOYSA-N 0 0 321.735 3.908 40 0 DHABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1N ZINC000021512984 182276612 /nfs/dbraw/zinc/27/66/12/182276612.db2.gz USARXDGVVVNUHA-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN Cc1cc(C)cc(NC(=S)NC(=O)c2cccc(F)c2)c1 ZINC000021596226 182280990 /nfs/dbraw/zinc/28/09/90/182280990.db2.gz ISRZZDLXCXKIEM-UHFFFAOYSA-N 0 0 302.374 3.569 40 0 DHABRN COc1ccccc1-c1nc(Cl)nn1-c1ccc(F)cc1 ZINC000022125841 182309791 /nfs/dbraw/zinc/30/97/91/182309791.db2.gz ZVZKXCPORZHFFZ-UHFFFAOYSA-N 0 0 303.724 3.735 40 0 DHABRN COc1ccc(-c2nc(Cl)n(-c3ccc(F)cc3)n2)cc1 ZINC000022125415 182309906 /nfs/dbraw/zinc/30/99/06/182309906.db2.gz LIMNVMLNEVWDFB-UHFFFAOYSA-N 0 0 303.724 3.735 40 0 DHABRN Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1C ZINC000022655410 182330286 /nfs/dbraw/zinc/33/02/86/182330286.db2.gz IPPWCVQXHTXLCA-UHFFFAOYSA-N 0 0 303.789 3.766 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C)c1 ZINC000022511812 182324165 /nfs/dbraw/zinc/32/41/65/182324165.db2.gz CMORDCWBRKKHGV-KRWDZBQOSA-N 0 0 301.361 3.608 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000022525250 182324809 /nfs/dbraw/zinc/32/48/09/182324809.db2.gz GGVAJBZQIAFWDK-HUUCEWRRSA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccccc1CNC(=O)CCc1ccccc1Cl ZINC000023235806 182353970 /nfs/dbraw/zinc/35/39/70/182353970.db2.gz YHSFOXFMCPHWIU-UHFFFAOYSA-N 0 0 303.789 3.598 40 0 DHABRN O=C(Nc1ccccn1)c1cccc(OCc2ccccc2)c1 ZINC000027652596 182485753 /nfs/dbraw/zinc/48/57/53/182485753.db2.gz NSPORXBUVIOGII-UHFFFAOYSA-N 0 0 304.349 3.913 40 0 DHABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N ZINC000032214351 182638003 /nfs/dbraw/zinc/63/80/03/182638003.db2.gz LYGZYNHMZOPJKV-UHFFFAOYSA-N 0 0 310.275 3.549 40 0 DHABRN CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000101275390 193809781 /nfs/dbraw/zinc/80/97/81/193809781.db2.gz BGXIRLHCDFLHJE-SFHVURJKSA-N 0 0 322.408 3.610 40 0 DHABRN Cc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000101275329 193810007 /nfs/dbraw/zinc/81/00/07/193810007.db2.gz VMFFDUZNUSMINS-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN O=Cc1c(Br)nc2ccccc2c1Br ZINC000038243211 182996670 /nfs/dbraw/zinc/99/66/70/182996670.db2.gz PSSFBANKPZRHIQ-UHFFFAOYSA-N 0 0 314.964 3.572 40 0 DHABRN CC(C)/N=c1\ccccn1C(=O)c1cc2c(s1)CCCCC2 ZINC000101903903 193847425 /nfs/dbraw/zinc/84/74/25/193847425.db2.gz QSYDMFOLYVDWPY-HTXNQAPBSA-N 0 0 314.454 3.816 40 0 DHABRN CC(C)Oc1ccc(CNC(=O)CSc2ccccc2)cc1 ZINC000038755767 183008723 /nfs/dbraw/zinc/00/87/23/183008723.db2.gz PTVTZBUOKOGXHG-UHFFFAOYSA-N 0 0 315.438 3.882 40 0 DHABRN CSc1nnc(NC(=O)/C=C/c2ccccc2Cl)s1 ZINC000039989039 183026890 /nfs/dbraw/zinc/02/68/90/183026890.db2.gz RJRLKVLVMAFKMG-VOTSOKGWSA-N 0 0 311.819 3.565 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@H](COc2ccc(F)cc2F)C1 ZINC000039954450 183024386 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/nfs/dbraw/zinc/04/58/70/184045870.db2.gz XLBPYZGSLNDDSB-UHFFFAOYSA-N 0 0 317.392 3.502 40 0 in-vitro DHABRN O=C(CSCc1ccccc1F)NCCCc1ccccc1 ZINC000057679908 184046189 /nfs/dbraw/zinc/04/61/89/184046189.db2.gz TZTZMAAWRPDIHJ-UHFFFAOYSA-N 0 0 317.429 3.808 40 0 DHABRN COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl ZINC000059400973 184138711 /nfs/dbraw/zinc/13/87/11/184138711.db2.gz DLFOXCRRRUULAD-UHFFFAOYSA-N 0 0 302.972 3.657 40 0 DHABRN CCOc1ccc2nc(SC/C=C/C(=O)OC)sc2c1 ZINC000059457471 184138947 /nfs/dbraw/zinc/13/89/47/184138947.db2.gz ZZSRMDPCVMAVEH-SNAWJCMRSA-N 0 0 309.412 3.516 40 0 DHABRN Fc1ccc(F)c(-c2nn3c(nnc3-c3ccsc3)s2)c1 ZINC000066088292 184388041 /nfs/dbraw/zinc/38/80/41/184388041.db2.gz RGUVCQUXIJDHEP-UHFFFAOYSA-N 0 0 320.349 3.860 40 0 DHABRN Cc1cccc(NC(=O)CSc2nc3ccccc3s2)n1 ZINC000006968625 256520752 /nfs/dbraw/zinc/52/07/52/256520752.db2.gz UUYRZXMRNSHXRV-UHFFFAOYSA-N 0 0 315.423 3.731 40 0 DHABRN CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(C)cc1 ZINC000008495588 256523695 /nfs/dbraw/zinc/52/36/95/256523695.db2.gz BRPOKKKSLSDAIO-MRXNPFEDSA-N 0 0 301.361 3.608 40 0 DHABRN CC(C)OCCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014399767 256526193 /nfs/dbraw/zinc/52/61/93/256526193.db2.gz VKQHXTACPNSCCM-HNNXBMFYSA-N 0 0 321.461 3.683 40 0 DHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CCCCCC1 ZINC000014400297 256526490 /nfs/dbraw/zinc/52/64/90/256526490.db2.gz FYWYFLGGIZIDHH-KRWDZBQOSA-N 0 0 305.418 3.692 40 0 DHABRN C[C@H]1CC[C@@H]1COc1cccc(I)c1 ZINC000242648749 257120562 /nfs/dbraw/zinc/12/05/62/257120562.db2.gz RFVHRHWKAUGMAG-VHSXEESVSA-N 0 0 302.155 3.716 40 0 DHABRN Cc1cc(SC(C)(C)C)cnc1I ZINC000072225969 257123612 /nfs/dbraw/zinc/12/36/12/257123612.db2.gz ZGEVCMGBNKWIKG-UHFFFAOYSA-N 0 0 307.200 3.885 40 0 DHABRN OCC1(c2cc(-c3ccc(Br)cc3)on2)CCCC1 ZINC000072220634 257124129 /nfs/dbraw/zinc/12/41/29/257124129.db2.gz VKDIFWZMQPYSQJ-UHFFFAOYSA-N 0 0 322.202 3.908 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccco2)cc1 ZINC000072221580 257124485 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/nfs/dbraw/zinc/21/81/01/257218101.db2.gz CESSGOQKGLPPPQ-UHFFFAOYSA-N 0 0 314.816 3.523 40 0 DHABRN CCCCOC(=O)c1ccc(NC(=O)Cc2cccs2)cc1 ZINC000006274389 257218410 /nfs/dbraw/zinc/21/84/10/257218410.db2.gz JVFQDOMVLVSZGJ-UHFFFAOYSA-N 0 0 317.410 3.886 40 0 DHABRN Cc1ccc(SCCNC(=O)COc2ccccc2C)cc1 ZINC000005546167 257218717 /nfs/dbraw/zinc/21/87/17/257218717.db2.gz KQWVQTOYXNWHTE-UHFFFAOYSA-N 0 0 315.438 3.591 40 0 DHABRN O=C(NCc1cccc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000302769195 257218891 /nfs/dbraw/zinc/21/88/91/257218891.db2.gz VSOPYGYIWJVDCW-UHFFFAOYSA-N 0 0 319.360 3.541 40 0 DHABRN Cc1cc(C)cc(OCC(=O)NCc2ccccc2Cl)c1 ZINC000003434666 257219173 /nfs/dbraw/zinc/21/91/73/257219173.db2.gz DPBUDGYQPGYSHC-UHFFFAOYSA-N 0 0 303.789 3.652 40 0 DHABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O ZINC000409013467 257224280 /nfs/dbraw/zinc/22/42/80/257224280.db2.gz ACXLKRZLPBLTRF-UQDQQJHMSA-N 0 0 319.382 3.559 40 0 DHABRN COc1cc(C)c(/C=C2\SC(=O)N(C)C2=O)cc1C(C)C ZINC000408811117 257226451 /nfs/dbraw/zinc/22/64/51/257226451.db2.gz LAXYMQGIPMPVDX-ZSOIEALJSA-N 0 0 305.399 3.793 40 0 DHABRN CN(C)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000408821838 257226941 /nfs/dbraw/zinc/22/69/41/257226941.db2.gz KRQXSPORHJDDEG-RAXLEYEMSA-N 0 0 314.366 3.587 40 0 DHABRN O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)n1ccnc1 ZINC000408734328 257227264 /nfs/dbraw/zinc/22/72/64/257227264.db2.gz NSXJVKPGQITTFR-INIZCTEOSA-N 0 0 311.772 3.765 40 0 DHABRN CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 ZINC000408713216 257227695 /nfs/dbraw/zinc/22/76/95/257227695.db2.gz OKFJIXKEUMVIKK-UHFFFAOYSA-N 0 0 306.365 3.582 40 0 DHABRN CCc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000408709190 257227897 /nfs/dbraw/zinc/22/78/97/257227897.db2.gz PJKHPPCBZFYRLW-UHFFFAOYSA-N 0 0 324.424 3.627 40 0 DHABRN CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 ZINC000408713363 257228093 /nfs/dbraw/zinc/22/80/93/257228093.db2.gz VKDOQCYQKRYSLJ-UHFFFAOYSA-N 0 0 320.392 3.891 40 0 DHABRN COc1ccccc1-c1nnc(SC(=O)c2ccccc2)o1 ZINC000408619152 257229229 /nfs/dbraw/zinc/22/92/29/257229229.db2.gz GHQFVARHRKCLFZ-UHFFFAOYSA-N 0 0 312.350 3.678 40 0 DHABRN CCn1ccs/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000408560078 257229559 /nfs/dbraw/zinc/22/95/59/257229559.db2.gz BUQNNOLZWXMVEQ-QINSGFPZSA-N 0 0 301.198 3.617 40 0 DHABRN Cc1cccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000408526723 257230181 /nfs/dbraw/zinc/23/01/81/257230181.db2.gz AMIYRIUCCBCHIK-UHFFFAOYSA-N 0 0 308.312 3.810 40 0 DHABRN Cc1nnc(NC(=O)CSc2cccc3ccccc32)s1 ZINC000408542291 257230198 /nfs/dbraw/zinc/23/01/98/257230198.db2.gz IFFZWKAQKMARGX-UHFFFAOYSA-N 0 0 315.423 3.731 40 0 DHABRN COc1ccccc1Oc1ccc(NC(=S)NC(C)C)cn1 ZINC000408549906 257230296 /nfs/dbraw/zinc/23/02/96/257230296.db2.gz BHNFZKBQLXQNAM-UHFFFAOYSA-N 0 0 317.414 3.577 40 0 DHABRN CCCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O ZINC000005552458 257231532 /nfs/dbraw/zinc/23/15/32/257231532.db2.gz GQNGFGHMWLNDGF-KAMYIIQDSA-N 0 0 305.399 3.922 40 0 DHABRN CCCn1cc(Br)c(COCCC(F)(F)F)n1 ZINC000408717327 257214983 /nfs/dbraw/zinc/21/49/83/257214983.db2.gz YMBBNKNGVNHAOF-UHFFFAOYSA-N 0 0 315.133 3.525 40 0 DHABRN O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)on1 ZINC000123017180 195533649 /nfs/dbraw/zinc/53/36/49/195533649.db2.gz BNDNHBANULIWMQ-UHFFFAOYSA-N 0 0 300.264 3.872 40 0 DHABRN Brc1ccc(NCn2cnc3ccccc32)cc1 ZINC000000362036 262510506 /nfs/dbraw/zinc/51/05/06/262510506.db2.gz QUDGAIYAMBEEHZ-UHFFFAOYSA-N 0 0 302.175 3.868 40 0 DHABRN Cc1nc(C2CC2)ncc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000222568223 333404223 /nfs/dbraw/zinc/40/42/23/333404223.db2.gz UPNJFUMZGVFDCT-SNVBAGLBSA-N 0 0 315.804 3.807 40 0 DHABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 ZINC000260784179 333611420 /nfs/dbraw/zinc/61/14/20/333611420.db2.gz VHXRIUUWGGOJDX-KBRIMQKVSA-N 0 0 309.438 3.979 40 0 DHABRN CC(C)c1cc(NC(=O)N[C@H]2CCCOc3ccccc32)no1 ZINC000266403535 519833343 /nfs/dbraw/zinc/83/33/43/519833343.db2.gz PNGQDBVECWBPEY-ZDUSSCGKSA-N 0 0 315.373 3.833 40 0 DHABRN Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1C ZINC000222994467 525429059 /nfs/dbraw/zinc/42/90/59/525429059.db2.gz KITRCZAZROEIQL-OAHLLOKOSA-N 0 0 315.388 3.569 40 0 DHABRN Cc1c(Cl)cccc1NC(=O)c1cnc2ccccc2c1O ZINC000339204179 525776508 /nfs/dbraw/zinc/77/65/08/525776508.db2.gz KVPUXNYQVBAPQS-UHFFFAOYSA-N 0 0 312.756 3.742 40 0 DHABRN CCNc1nc(NCc2cccc(F)c2)cc(C(F)(F)F)n1 ZINC000318335762 528441922 /nfs/dbraw/zinc/44/19/22/528441922.db2.gz SZHJSCIONFPVRL-UHFFFAOYSA-N 0 0 314.286 3.678 40 0 DHABRN CCOP(=O)(OCC)C(F)(F)[C@](C)(O)c1ccccc1 ZINC000306145832 529086949 /nfs/dbraw/zinc/08/69/49/529086949.db2.gz RWDXXPDOUZIVNY-GFCCVEGCSA-N 0 0 308.261 3.753 40 0 DHABRN C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000010541813 563649061 /nfs/dbraw/zinc/64/90/61/563649061.db2.gz HGJZOLLFOGGCKP-SNVBAGLBSA-N 0 0 322.257 3.555 40 0 DHABRN Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc(F)cc1 ZINC000224912848 563744842 /nfs/dbraw/zinc/74/48/42/563744842.db2.gz OCECLUSUWAOBGD-UHFFFAOYSA-N 0 0 313.781 3.613 40 0 DHABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)nc1 ZINC000225907947 563767095 /nfs/dbraw/zinc/76/70/95/563767095.db2.gz XGEMZORLJXXOEJ-KRWDZBQOSA-N 0 0 308.422 3.794 40 0 DHABRN C[C@]12C=Cc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 ZINC000253595814 574421630 /nfs/dbraw/zinc/42/16/30/574421630.db2.gz JEKMKNDURXDJAD-TUKSYLFRSA-N 0 0 314.425 3.720 40 0 endogenous,in-man DHABRN COc1ccc(CN(C)C(=S)Nc2ccc(F)cc2)cc1 ZINC000007658977 563340848 /nfs/dbraw/zinc/34/08/48/563340848.db2.gz KMQIPNHLPIDHJZ-UHFFFAOYSA-N 0 0 304.390 3.663 40 0 DHABRN CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O ZINC000000052080 563212074 /nfs/dbraw/zinc/21/20/74/563212074.db2.gz FKRFVQBBBINMFD-QZTJIDSGSA-N 0 0 303.402 3.852 40 0 DHABRN COc1cccc(OC)c1C(=O)Nc1cccc(Cl)c1C ZINC000000560071 563266579 /nfs/dbraw/zinc/26/65/79/563266579.db2.gz ZTNNHKJFWWVFOU-UHFFFAOYSA-N 0 0 305.761 3.918 40 0 DHABRN Cc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 ZINC000001617358 563287970 /nfs/dbraw/zinc/28/79/70/563287970.db2.gz KEMSPLZRXSXMQA-UHFFFAOYSA-N 0 0 324.405 3.663 40 0 DHABRN OCc1ccccc1CC(O)(c1ccccc1)c1ccccc1 ZINC000001632666 563288762 /nfs/dbraw/zinc/28/87/62/563288762.db2.gz XFHDGYJDVRDMQS-UHFFFAOYSA-N 0 0 304.389 3.658 40 0 DHABRN CCOC(=O)c1ccc(NC[C@H]2CCc3ccccc3N2)cc1 ZINC000001713106 563293229 /nfs/dbraw/zinc/29/32/29/563293229.db2.gz NVTXWNVRYRXWPJ-QGZVFWFLSA-N 0 0 310.397 3.702 40 0 DHABRN O=C1O[C@H]([C@@H]2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 ZINC000001855494 563296242 /nfs/dbraw/zinc/29/62/42/563296242.db2.gz AKBGLPRWJDGEQF-XLIONFOSSA-N 0 0 318.372 3.832 40 0 DHABRN CC[C@]1(C(=O)OC)CCc2c3ccccc3c(OC)cc2C1=O ZINC000002048695 563298110 /nfs/dbraw/zinc/29/81/10/563298110.db2.gz GPAKVOABOXYPEQ-IBGZPJMESA-N 0 0 312.365 3.547 40 0 DHABRN C[C@@H]1CN=C(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000003024890 563321323 /nfs/dbraw/zinc/32/13/23/563321323.db2.gz MMRNHFGQOYNUCE-SSDOTTSWSA-N 0 0 318.229 3.948 40 0 DHABRN Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2Cl)c1 ZINC000005474507 563329564 /nfs/dbraw/zinc/32/95/64/563329564.db2.gz SDEJBMCXQABLRV-UHFFFAOYSA-N 0 0 317.816 3.960 40 0 DHABRN COc1ccc(C)cc1NC(=O)COc1cc(C)cc(C)c1C ZINC000005474498 563329809 /nfs/dbraw/zinc/32/98/09/563329809.db2.gz BHJKIMOVYJQQBK-UHFFFAOYSA-N 0 0 313.397 3.946 40 0 DHABRN COC(=O)c1cc2c(c3c1C[C@@H](Cc1ccccc1)C3=O)CCC2 ZINC000005538127 563329872 /nfs/dbraw/zinc/32/98/72/563329872.db2.gz BGIWYCNHIMSKGG-OAHLLOKOSA-N 0 0 320.388 3.560 40 0 DHABRN CCc1ccc(N2C(=O)S/C(=C/c3cccn3C)C2=O)cc1 ZINC000005552661 563330622 /nfs/dbraw/zinc/33/06/22/563330622.db2.gz AKBPAVKNYKCYAC-RVDMUPIBSA-N 0 0 312.394 3.828 40 0 DHABRN COc1ccc(SCC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000007312281 563338118 /nfs/dbraw/zinc/33/81/18/563338118.db2.gz ABUHAKZBZWPZND-AWEZNQCLSA-N 0 0 315.438 3.707 40 0 DHABRN COc1ccc(CNC(=O)CCSCc2ccccc2)cc1 ZINC000007685772 563340531 /nfs/dbraw/zinc/34/05/31/563340531.db2.gz RBDHOHPSDMAPTB-UHFFFAOYSA-N 0 0 315.438 3.635 40 0 DHABRN C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(Br)cc1 ZINC000007645540 563340826 /nfs/dbraw/zinc/34/08/26/563340826.db2.gz RVRSXTNNLQZJNX-ANYFNZRUSA-N 0 0 320.186 3.933 40 0 DHABRN C[C@]12C=Cc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000014918954 563342581 /nfs/dbraw/zinc/34/25/81/563342581.db2.gz JEKMKNDURXDJAD-HPKZOHMWSA-N 0 0 314.425 3.720 40 0 endogenous,in-man DHABRN O=C(CCSc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000036626125 563354681 /nfs/dbraw/zinc/35/46/81/563354681.db2.gz HOPCZMWADKTOGS-UHFFFAOYSA-N 0 0 315.394 3.579 40 0 DHABRN CCNc1nn(-c2ccc(F)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000010156830 563355133 /nfs/dbraw/zinc/35/51/33/563355133.db2.gz CZDBWUVJULELAQ-UHFFFAOYSA-N 0 0 301.365 3.598 40 0 DHABRN COc1ccc(-c2nc3cnccn3c2NCc2ccco2)cc1 ZINC000012113790 563361653 /nfs/dbraw/zinc/36/16/53/563361653.db2.gz OKHKAGUPQILTSM-UHFFFAOYSA-N 0 0 320.352 3.610 40 0 DHABRN Cc1cccc2cc3c(nc12)OCC(=O)N(Cc1cccs1)C3 ZINC000012113089 563361756 /nfs/dbraw/zinc/36/17/56/563361756.db2.gz RTVXUNHCVAJRAN-UHFFFAOYSA-N 0 0 324.405 3.526 40 0 DHABRN Cc1c2cccc(C)c2oc1C(=O)NCCCc1ccccn1 ZINC000012148601 563362954 /nfs/dbraw/zinc/36/29/54/563362954.db2.gz ZETNFXSACSACOP-UHFFFAOYSA-N 0 0 308.381 3.807 40 0 DHABRN CCCCN(C)c1nc(C)nc2c1CN(Cc1ccccc1)CC2 ZINC000012183313 563364153 /nfs/dbraw/zinc/36/41/53/563364153.db2.gz OFGHYRUIUKSMJV-UHFFFAOYSA-N 0 0 324.472 3.580 40 0 DHABRN O=C(CCc1ccccc1)NCCSCc1ccccc1F ZINC000013669068 563384855 /nfs/dbraw/zinc/38/48/55/563384855.db2.gz WTBAJDYLTOKONZ-UHFFFAOYSA-N 0 0 317.429 3.808 40 0 DHABRN CCOc1ccccc1NC(=S)NCc1ccc(F)cc1 ZINC000013792255 563389602 /nfs/dbraw/zinc/38/96/02/563389602.db2.gz XJHUXGFPXQIAMT-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN S=C(NCc1ccc(Cl)cc1)Nc1cccnc1Cl ZINC000013838500 563390310 /nfs/dbraw/zinc/39/03/10/563390310.db2.gz ZUBVBWLFHWCDGP-UHFFFAOYSA-N 0 0 312.225 3.875 40 0 DHABRN O=S(=O)(Nc1cc(F)ccc1F)c1ccc2ccccc2c1 ZINC000014254763 563399633 /nfs/dbraw/zinc/39/96/33/563399633.db2.gz MMWJPSQTVXVBIR-UHFFFAOYSA-N 0 0 319.332 3.919 40 0 DHABRN CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl ZINC000014908654 563404469 /nfs/dbraw/zinc/40/44/69/563404469.db2.gz HOFAPQAKCYLMCU-UHFFFAOYSA-N 0 0 317.772 3.698 40 0 DHABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccco1 ZINC000020139697 563416717 /nfs/dbraw/zinc/41/67/17/563416717.db2.gz FNQKDBQMJQEXAU-UHFFFAOYSA-N 0 0 317.728 3.938 40 0 DHABRN N=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1N ZINC000020799528 563417754 /nfs/dbraw/zinc/41/77/54/563417754.db2.gz AHAVVNRXWXGEOC-UHFFFAOYSA-N 0 0 311.776 3.545 40 0 DHABRN O=C(Cc1cccs1)NCCSc1ccc(Cl)cc1 ZINC000023922525 563420651 /nfs/dbraw/zinc/42/06/51/563420651.db2.gz BTQZLLJXUYWWGU-UHFFFAOYSA-N 0 0 311.859 3.853 40 0 DHABRN COCc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000026547267 563425744 /nfs/dbraw/zinc/42/57/44/563425744.db2.gz QXWLINQGXWQBEA-UHFFFAOYSA-N 0 0 319.426 3.559 40 0 DHABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)ccc2C)c1 ZINC000026391728 563425998 /nfs/dbraw/zinc/42/59/98/563425998.db2.gz AFOCKANFLBJEHF-CQSZACIVSA-N 0 0 313.397 3.812 40 0 DHABRN C[C@@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 ZINC000026754552 563426701 /nfs/dbraw/zinc/42/67/01/563426701.db2.gz DZTOLFTWRJJYKS-UONOGXRCSA-N 0 0 301.361 3.513 40 0 DHABRN COc1ccc2nc(C)c(C(=O)NCc3ccc(C)cc3)cc2c1 ZINC000026797238 563426761 /nfs/dbraw/zinc/42/67/61/563426761.db2.gz QXZFBDMNXVXWOS-UHFFFAOYSA-N 0 0 320.392 3.790 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000030750867 563438220 /nfs/dbraw/zinc/43/82/20/563438220.db2.gz JJAGONBALIMJAH-UONOGXRCSA-N 0 0 301.361 3.779 40 0 DHABRN Cc1ccc(/C=C/C(=O)NCc2ccccc2-n2ccnc2)cc1 ZINC000030854707 563438995 /nfs/dbraw/zinc/43/89/95/563438995.db2.gz MDWBXIKAHFCNRP-ZHACJKMWSA-N 0 0 317.392 3.510 40 0 DHABRN Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O ZINC000036635494 563456475 /nfs/dbraw/zinc/45/64/75/563456475.db2.gz BQQABZXIZOYFJL-MRXNPFEDSA-N 0 0 322.408 3.664 40 0 DHABRN CCc1ccc(N2C(=O)C[C@H](Nc3ccc(C)cc3C)C2=O)cc1 ZINC000036635568 563456510 /nfs/dbraw/zinc/45/65/10/563456510.db2.gz WYOYNECEKXXREV-SFHVURJKSA-N 0 0 322.408 3.610 40 0 DHABRN CCc1ccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)cc1 ZINC000036635570 563456702 /nfs/dbraw/zinc/45/67/02/563456702.db2.gz AKWOWYIYFBVPPU-KRWDZBQOSA-N 0 0 322.408 3.610 40 0 DHABRN C[C@@H]1c2[nH]c3ccccc3c2CCN1C[C@H](O)c1cccs1 ZINC000036734349 563457132 /nfs/dbraw/zinc/45/71/32/563457132.db2.gz XUVWJJQEZLOFGT-WBMJQRKESA-N 0 0 312.438 3.882 40 0 DHABRN CCCCCNC(=O)CCc1nc(-c2ccccc2Cl)no1 ZINC000041184713 563461276 /nfs/dbraw/zinc/46/12/76/563461276.db2.gz WBDIIHHSWCKVKG-UHFFFAOYSA-N 0 0 321.808 3.629 40 0 DHABRN CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000046664564 563465559 /nfs/dbraw/zinc/46/55/59/563465559.db2.gz FYSSDTKMOQZXNJ-HNNXBMFYSA-N 0 0 313.397 3.558 40 0 DHABRN Cc1cccc(NC(=O)COc2cccc3cccnc32)c1C ZINC000049514604 563467636 /nfs/dbraw/zinc/46/76/36/563467636.db2.gz IRYAKTJATWRJMT-UHFFFAOYSA-N 0 0 306.365 3.869 40 0 DHABRN CCOc1ccccc1CNC(=S)Nc1ccc(OC)cc1 ZINC000053521395 563469695 /nfs/dbraw/zinc/46/96/95/563469695.db2.gz SJAPJLVUUOSHKD-UHFFFAOYSA-N 0 0 316.426 3.581 40 0 DHABRN COc1ccccc1NC(=O)N[C@H](C)COc1ccccc1C ZINC000056516259 563477283 /nfs/dbraw/zinc/47/72/83/563477283.db2.gz QRQANOGYUYUBCW-CQSZACIVSA-N 0 0 314.385 3.593 40 0 DHABRN COc1cccc(CCCNC(=O)Cc2cccc(Cl)c2)c1 ZINC000067834928 563491612 /nfs/dbraw/zinc/49/16/12/563491612.db2.gz LELAPOWSTGKLCW-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN Cc1cccc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000068960420 563495359 /nfs/dbraw/zinc/49/53/59/563495359.db2.gz WKGGYQWMLYZYRC-AWEZNQCLSA-N 0 0 317.816 3.775 40 0 DHABRN CCOc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 ZINC000000038168 563498584 /nfs/dbraw/zinc/49/85/84/563498584.db2.gz GPEFVBWQQBDXEM-MSOLQXFVSA-N 0 0 320.396 3.823 40 0 DHABRN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(Cl)ncn1 ZINC000000032421 563498789 /nfs/dbraw/zinc/49/87/89/563498789.db2.gz FXIVZUXWFFYJJU-UHFFFAOYSA-N 0 0 313.744 3.951 40 0 DHABRN Nc1oc(-c2ccccc2)nc1-c1nnc(-c2ccccc2)o1 ZINC000035681790 563501210 /nfs/dbraw/zinc/50/12/10/563501210.db2.gz HOOXSAKLFFGPML-UHFFFAOYSA-N 0 0 304.309 3.641 40 0 DHABRN Cc1ccccc1OCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000071989132 563502006 /nfs/dbraw/zinc/50/20/06/563502006.db2.gz 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ZINC000003222259 563636112 /nfs/dbraw/zinc/63/61/12/563636112.db2.gz XSXPLIZPFSEZPA-UHFFFAOYSA-N 0 0 317.757 3.718 40 0 DHABRN CCn1nnnc1NCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007602281 563640233 /nfs/dbraw/zinc/64/02/33/563640233.db2.gz NLRDYMSGAHELAB-UHFFFAOYSA-N 0 0 317.780 3.527 40 0 DHABRN Clc1cc(Cl)cc(-c2ccc(CNn3cnnc3)o2)c1 ZINC000007602188 563640509 /nfs/dbraw/zinc/64/05/09/563640509.db2.gz SEDIKZHHLWAITM-UHFFFAOYSA-N 0 0 309.156 3.589 40 0 DHABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)c(F)c1 ZINC000008049335 563641641 /nfs/dbraw/zinc/64/16/41/563641641.db2.gz DCPDCDQPDHUFLN-AWEZNQCLSA-N 0 0 321.323 3.770 40 0 DHABRN CCOc1ccc2ccccc2c1CNn1c(C)n[nH]c1=S ZINC000008325153 563642527 /nfs/dbraw/zinc/64/25/27/563642527.db2.gz ZKPADKOPBSTZLL-UHFFFAOYSA-N 0 0 314.414 3.545 40 0 DHABRN O=Cc1cn(Cc2cccnc2)c2ccc(Br)cc12 ZINC000008702350 563644292 /nfs/dbraw/zinc/64/42/92/563644292.db2.gz DCUYGRLPRDORDB-UHFFFAOYSA-N 0 0 315.170 3.660 40 0 DHABRN CC(C)c1nnc(SCCCOc2ccccc2C=O)o1 ZINC000008731629 563644322 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CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)[nH]3)N21 ZINC000222718023 563728126 /nfs/dbraw/zinc/72/81/26/563728126.db2.gz JKVNMSSMJDLQJL-UHOFOFEASA-N 0 0 312.442 3.698 40 0 DHABRN CC(C)(C)SCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000222823758 563728466 /nfs/dbraw/zinc/72/84/66/563728466.db2.gz BRBFFEFSORDUBJ-UHFFFAOYSA-N 0 0 321.486 3.592 40 0 DHABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)s1 ZINC000222858700 563728571 /nfs/dbraw/zinc/72/85/71/563728571.db2.gz WNKYFAUPMAKSKT-CABCVRRESA-N 0 0 317.483 3.834 40 0 DHABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccco1 ZINC000223074506 563730571 /nfs/dbraw/zinc/73/05/71/563730571.db2.gz SQUVLYGGPCFXQE-GOSISDBHSA-N 0 0 313.397 3.632 40 0 DHABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)c1ccccc1 ZINC000223110203 563731334 /nfs/dbraw/zinc/73/13/34/563731334.db2.gz HCFKDOPILSBAPK-OAHLLOKOSA-N 0 0 309.409 3.996 40 0 DHABRN CCCSc1nnc(NC(=O)c2ccc(OC)c(C)c2)s1 ZINC000223215056 563731682 /nfs/dbraw/zinc/73/16/82/563731682.db2.gz QBEHXQGPFSNYOQ-UHFFFAOYSA-N 0 0 323.443 3.610 40 0 DHABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(F)cc2)cc1 ZINC000223373967 563733180 /nfs/dbraw/zinc/73/31/80/563733180.db2.gz LKFYDGGWAISVNF-UHFFFAOYSA-N 0 0 315.388 3.932 40 0 DHABRN COc1ccc(CCC(=O)NCc2ccccc2Cl)cc1C ZINC000223612760 563735211 /nfs/dbraw/zinc/73/52/11/563735211.db2.gz WZFYQTGWUXBRCL-UHFFFAOYSA-N 0 0 317.816 3.906 40 0 DHABRN O=C(OCc1ccc(F)cc1)c1snnc1-c1ccccc1 ZINC000223833351 563736993 /nfs/dbraw/zinc/73/69/93/563736993.db2.gz LZMJLFZZKZJVNJ-UHFFFAOYSA-N 0 0 314.341 3.701 40 0 DHABRN Cc1ccc(CNC(=S)Nc2ncc(C)cc2Cl)cc1 ZINC000223942321 563737781 /nfs/dbraw/zinc/73/77/81/563737781.db2.gz FAVDGJNEMZNIHJ-UHFFFAOYSA-N 0 0 305.834 3.838 40 0 DHABRN Fc1ccc(CCCNC(=S)Nc2cccnc2Cl)cc1 ZINC000223967634 563738715 /nfs/dbraw/zinc/73/87/15/563738715.db2.gz WMESTRMBFBULTH-UHFFFAOYSA-N 0 0 323.824 3.793 40 0 DHABRN Cc1cccc(C(=O)NCCOc2ccc(C)c(Cl)c2)c1 ZINC000224121014 563739238 /nfs/dbraw/zinc/73/92/38/563739238.db2.gz GXYGZOWEMXXOOT-UHFFFAOYSA-N 0 0 303.789 3.766 40 0 DHABRN 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ZINC000328977904 563832567 /nfs/dbraw/zinc/83/25/67/563832567.db2.gz FWZMRSPSKKAPFP-LLVKDONJSA-N 0 0 316.836 3.805 40 0 DHABRN CCNc1nc(Nc2cccc(C)c2C)cc(-c2ccccc2)n1 ZINC000329030679 563833428 /nfs/dbraw/zinc/83/34/28/563833428.db2.gz QEQRKZQOVHCJTE-UHFFFAOYSA-N 0 0 318.424 3.780 40 0 DHABRN Fc1ccc(-c2nc(Cl)cc(NCc3ccccc3)n2)cc1 ZINC000329023957 563833871 /nfs/dbraw/zinc/83/38/71/563833871.db2.gz OXHNZNFTROJWNM-UHFFFAOYSA-N 0 0 313.763 3.970 40 0 DHABRN OCc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 ZINC000002544966 563847443 /nfs/dbraw/zinc/84/74/43/563847443.db2.gz HHRQZFFCJIQMTC-UHFFFAOYSA-N 0 0 302.736 3.824 40 0 DHABRN Cc1cccc(CN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000000571687 563854507 /nfs/dbraw/zinc/85/45/07/563854507.db2.gz IEHTVMUSXQAGMM-UHFFFAOYSA-N 0 0 303.427 3.578 40 0 DHABRN Cc1ccccc1COc1ccc(-c2nnc(N)o2)cc1Cl ZINC000216815922 563855492 /nfs/dbraw/zinc/85/54/92/563855492.db2.gz XZNUCDHQVWSNLO-UHFFFAOYSA-N 0 0 315.760 3.860 40 0 DHABRN Clc1cc2nn(-c3ccccc3)nc2cc1Br ZINC000216939647 563858357 /nfs/dbraw/zinc/85/83/57/563858357.db2.gz BIDHLGWDXLJMHZ-UHFFFAOYSA-N 0 0 308.566 3.836 40 0 DHABRN Cc1noc(-c2cccn(Cc3ccc(C(C)(C)C)cc3)c2=O)n1 ZINC000075166099 563861184 /nfs/dbraw/zinc/86/11/84/563861184.db2.gz QPDFKXYKSIHYJU-UHFFFAOYSA-N 0 0 323.396 3.553 40 0 DHABRN COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1F ZINC000036385440 563873582 /nfs/dbraw/zinc/87/35/82/563873582.db2.gz FMYYHOIKDMDTLV-MCUWUJJYSA-N 0 0 305.393 3.788 40 0 DHABRN Nc1ccc(-c2nc3cc(Cl)cnc3o2)cc1Br ZINC000078406877 563884428 /nfs/dbraw/zinc/88/44/28/563884428.db2.gz YFXFBUKEAHEKAZ-UHFFFAOYSA-N 0 0 324.565 3.888 40 0 DHABRN CCCC(=O)Nc1cc(Cl)c2[nH]c(=NN)sc2c1Cl ZINC000045891523 563888351 /nfs/dbraw/zinc/88/83/51/563888351.db2.gz KQJYYRSPORPTTJ-UHFFFAOYSA-N 0 0 319.217 3.627 40 0 DHABRN CCc1cc(N)cc(C)c1NC(=O)Cc1ccc(Cl)cc1 ZINC000045888364 563888485 /nfs/dbraw/zinc/88/84/85/563888485.db2.gz LCSVESNVMRWQAZ-UHFFFAOYSA-N 0 0 302.805 3.974 40 0 DHABRN C[C@@H]1CCCCN1c1c(N)cc(Cl)c(N)c1Br ZINC000045891324 563888532 /nfs/dbraw/zinc/88/85/32/563888532.db2.gz BPLLGTLRYYVXBQ-SSDOTTSWSA-N 0 0 318.646 3.646 40 0 DHABRN CC(C)(C)OC(=O)n1c(-c2ccc(=O)[nH]c2)cc2ccccc21 ZINC000096312049 563891747 /nfs/dbraw/zinc/89/17/47/563891747.db2.gz HIVXESURLIXOLI-UHFFFAOYSA-N 0 0 310.353 3.780 40 0 DHABRN CNc1nc(NCc2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000161782597 563892360 /nfs/dbraw/zinc/89/23/60/563892360.db2.gz IJCOCIWIDDAMLJ-UHFFFAOYSA-N 0 0 316.714 3.803 40 0 DHABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OC ZINC000006355881 563921438 /nfs/dbraw/zinc/92/14/38/563921438.db2.gz LELRCBGRJFNWAZ-AHEVQNHNSA-N 0 0 321.398 3.539 40 0 DHABRN CCOc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1 ZINC000006845743 563921608 /nfs/dbraw/zinc/92/16/08/563921608.db2.gz NXCATZYVOIXENW-UHFFFAOYSA-N 0 0 319.364 3.795 40 0 DHABRN CCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O ZINC000006656631 563921637 /nfs/dbraw/zinc/92/16/37/563921637.db2.gz RKTTZDALNAAVMC-GXDHUFHOSA-N 0 0 321.398 3.540 40 0 DHABRN CN1c2ccccc2/C(=C\c2ccc(N3CCCC3)cc2)C1=O 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ZINC000032586613 1022367233 /nfs/dbraw/zinc/36/72/33/1022367233.db2.gz DIODIFSEPTYTMI-UHFFFAOYSA-N 0 0 319.426 3.811 40 0 DHABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 ZINC000018114941 1022762597 /nfs/dbraw/zinc/76/25/97/1022762597.db2.gz ZCMJMAUCIIWFBR-UHFFFAOYSA-N 0 0 315.344 3.574 40 0 DHABRN Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000223274705 1024592662 /nfs/dbraw/zinc/59/26/62/1024592662.db2.gz NRKIEKYQMFJXAN-MRXNPFEDSA-N 0 0 323.436 3.958 40 0 DHABRN C[C@@H]1C[C@H](C)[C@@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)C[C@H]1C ZINC000255188727 1026267539 /nfs/dbraw/zinc/26/75/39/1026267539.db2.gz LEILTLAATFEQFY-HXFLIBJXSA-N 0 0 304.221 3.517 40 0 DHABRN C[C@@H]1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CC/C(=C/CO)CO ZINC000031157450 1035127899 /nfs/dbraw/zinc/12/78/99/1035127899.db2.gz NNDLUXBYTPAACV-HVFHRLHQSA-N 0 0 324.505 3.671 40 0 biogenic,in-vitro DHABRN CCCCOc1ccc(C2=C3C(=O)CC(C)(C)C[C@H]3NN2)cc1 ZINC000228928514 1035626704 /nfs/dbraw/zinc/62/67/04/1035626704.db2.gz 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FFAUBXQNEWGYCU-UHFFFAOYSA-N 0 0 308.447 3.882 40 0 DHABRN c1csc(-c2cnc3n2CCN(Cc2ccsc2)C3)c1 ZINC000306143094 231091478 /nfs/dbraw/zinc/09/14/78/231091478.db2.gz XTGORACSOBHUBW-UHFFFAOYSA-N 0 0 301.440 3.689 40 0 DHABRN CC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 ZINC000090636339 185307681 /nfs/dbraw/zinc/30/76/81/185307681.db2.gz OGRMZMLEIGRKOH-UHFFFAOYSA-N 0 0 314.179 3.999 40 0 DHABRN C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CC/C(=C\CO)CO ZINC000035455464 290712205 /nfs/dbraw/zinc/71/22/05/290712205.db2.gz NNDLUXBYTPAACV-XBQTXLDVSA-N 0 0 324.505 3.671 40 0 biogenic,in-vitro DHABRN Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cc(C)cc(C)c1 ZINC000225744214 201740905 /nfs/dbraw/zinc/74/09/05/201740905.db2.gz KQWBLJIAPQLIHR-UHFFFAOYSA-N 0 0 320.392 3.565 40 0 DHABRN Cc1cccc(NC(=O)c2snnc2-c2cccs2)c1 ZINC000225787580 201745416 /nfs/dbraw/zinc/74/54/16/201745416.db2.gz INSCZBJEVZJKLO-UHFFFAOYSA-N 0 0 301.396 3.827 40 0 DHABRN Fc1ccccc1NC(=S)NCCOc1ccccc1Cl ZINC000225779702 201746801 /nfs/dbraw/zinc/74/68/01/201746801.db2.gz YETVJOJJCNCCMX-UHFFFAOYSA-N 0 0 324.808 3.845 40 0 DHABRN CCC1(NC(=S)Nc2ccc(OC)cc2OC)CCCC1 ZINC000225848989 201755441 /nfs/dbraw/zinc/75/54/41/201755441.db2.gz BNMGFHZHFXGLDO-UHFFFAOYSA-N 0 0 308.447 3.713 40 0 DHABRN CCCSc1nnc(NC(=O)Cc2ccc(CC)cc2)s1 ZINC000225870135 201757470 /nfs/dbraw/zinc/75/74/70/201757470.db2.gz UMOCKBYWOMCNIH-UHFFFAOYSA-N 0 0 321.471 3.784 40 0 DHABRN CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)nc1C ZINC000225896551 201760309 /nfs/dbraw/zinc/76/03/09/201760309.db2.gz ZBELNXCMIHWXSN-QGZVFWFLSA-N 0 0 308.422 3.713 40 0 DHABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC1CCCCC1 ZINC000140512066 186026479 /nfs/dbraw/zinc/02/64/79/186026479.db2.gz PGYDBUFIOSITIB-UHFFFAOYSA-N 0 0 316.376 3.862 40 0 DHABRN COc1ccc(CCNC(=O)c2cc3cccc(C)c3o2)cc1 ZINC000148150290 186042959 /nfs/dbraw/zinc/04/29/59/186042959.db2.gz QBLNYGMCWSIKMF-UHFFFAOYSA-N 0 0 309.365 3.722 40 0 DHABRN Cc1cccc2cc(C(=O)N3CCN(c4ccccc4)CC3)oc21 ZINC000148089538 186043143 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/nfs/dbraw/zinc/89/89/59/180898959.db2.gz NROMEPAZSWXQQQ-UHFFFAOYSA-N 0 0 308.172 3.580 40 0 DHABRN CCOP(=O)(C[C@@H](C)P(=O)(OCC)OCC)OCC ZINC000003157140 180987256 /nfs/dbraw/zinc/98/72/56/180987256.db2.gz HJGBGITVOMBUNF-LLVKDONJSA-N 0 0 316.271 3.907 40 0 DHABRN COc1ccc(CCC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000003565955 181035695 /nfs/dbraw/zinc/03/56/95/181035695.db2.gz ZIJDGZAPDRXYAM-UHFFFAOYSA-N 0 0 313.397 3.892 40 0 DHABRN Cc1ccc(C)c(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003606569 181039427 /nfs/dbraw/zinc/03/94/27/181039427.db2.gz WLEXAYIIDYTGAO-GOSISDBHSA-N 0 0 309.409 3.876 40 0 DHABRN Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1 ZINC000003817467 181046899 /nfs/dbraw/zinc/04/68/99/181046899.db2.gz TVKGTSHBQZEFEE-UHFFFAOYSA-N 0 0 312.304 3.514 40 0 DHABRN Cc1ccc(-n2nc3c(c2NC(=O)CC(C)C)CSC3)cc1 ZINC000004088692 181072121 /nfs/dbraw/zinc/07/21/21/181072121.db2.gz NCYWVQVHKJVINZ-UHFFFAOYSA-N 0 0 315.442 3.912 40 0 DHABRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]21 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CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccccc1 ZINC000004909959 181171582 /nfs/dbraw/zinc/17/15/82/181171582.db2.gz KUTOUJFJTPGYFZ-KRWDZBQOSA-N 0 0 307.353 3.625 40 0 DHABRN CCOC(=O)c1cc(N)cc2nc(-c3ccccc3Cl)oc21 ZINC000073641970 191335082 /nfs/dbraw/zinc/33/50/82/191335082.db2.gz OWPDCWBXUQFECQ-UHFFFAOYSA-N 0 0 316.744 3.907 40 0 DHABRN CCOc1ccc2c(c1)sc1ncc(-c3ccccc3)c(=O)n21 ZINC000004975147 181181968 /nfs/dbraw/zinc/18/19/68/181181968.db2.gz NHVSKUSLFZYYPA-UHFFFAOYSA-N 0 0 322.389 3.975 40 0 DHABRN CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000005031746 181193771 /nfs/dbraw/zinc/19/37/71/181193771.db2.gz ZTBMOOKXITVSAM-SMOSDQRPSA-N 0 0 309.409 3.805 40 0 DHABRN O=C(Cn1cnc2ccccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000005190782 181214939 /nfs/dbraw/zinc/21/49/39/181214939.db2.gz UDROKLWEAWVYCX-UHFFFAOYSA-N 0 0 320.179 3.982 40 0 DHABRN CCCCS(=O)(=O)Nc1cc(-c2ccccc2)ccc1O ZINC000005259974 181222983 /nfs/dbraw/zinc/22/29/83/181222983.db2.gz YHPULENTLIIYDI-UHFFFAOYSA-N 0 0 305.399 3.601 40 0 DHABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000005315942 181228705 /nfs/dbraw/zinc/22/87/05/181228705.db2.gz KVXCVEZZNMQOBZ-YNEHKIRRSA-N 0 0 321.442 3.916 40 0 DHABRN COc1ccccc1NC(=O)CSCc1cccc(C)c1 ZINC000005555992 181256793 /nfs/dbraw/zinc/25/67/93/181256793.db2.gz KYICABKYRCHAGX-UHFFFAOYSA-N 0 0 301.411 3.876 40 0 DHABRN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000005559260 181257394 /nfs/dbraw/zinc/25/73/94/181257394.db2.gz SMOSWPGXDCAXNW-NSHDSACASA-N 0 0 319.788 3.848 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(Cl)cc1 ZINC000005510829 181251428 /nfs/dbraw/zinc/25/14/28/181251428.db2.gz VHNREVVMXZZVBH-LBPRGKRZSA-N 0 0 319.788 3.605 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)COc1cc(C)ccc1C ZINC000005510911 181251557 /nfs/dbraw/zinc/25/15/57/181251557.db2.gz LTQITDBLHRNVIG-HNNXBMFYSA-N 0 0 313.397 3.568 40 0 DHABRN COC(=O)c1ccc(Cl)cc1NC(=S)Nc1ccccc1 ZINC000005611461 181263494 /nfs/dbraw/zinc/26/34/94/181263494.db2.gz XCZOZQBBIYTNAV-UHFFFAOYSA-N 0 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HTNKJHFZLVXDDT-LALPHHSUSA-N 0 0 323.820 3.580 40 0 DHABRN CN(Cc1ccc(Cl)nc1)C(=S)Nc1ccc(F)cc1 ZINC000006226809 181320872 /nfs/dbraw/zinc/32/08/72/181320872.db2.gz LFDNGNJXTVGCPO-UHFFFAOYSA-N 0 0 309.797 3.703 40 0 DHABRN CC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000006263624 181323904 /nfs/dbraw/zinc/32/39/04/181323904.db2.gz GSVGUDMQCRIRNZ-UHFFFAOYSA-N 0 0 322.257 3.850 40 0 DHABRN Cc1cc2nc(NC(=S)NCc3ccccc3)[nH]c2cc1C ZINC000006281616 181325427 /nfs/dbraw/zinc/32/54/27/181325427.db2.gz CIBYDPKOJWYEJV-UHFFFAOYSA-N 0 0 310.426 3.666 40 0 DHABRN Cc1ccccc1NC(=S)N(C)Cc1ccc(Cl)nc1 ZINC000006268426 181324917 /nfs/dbraw/zinc/32/49/17/181324917.db2.gz YCVRJIJUVIQJLN-UHFFFAOYSA-N 0 0 305.834 3.872 40 0 DHABRN CCc1cccc2c(C=O)cn(CC(=O)Nc3ccccc3)c21 ZINC000006285793 181326255 /nfs/dbraw/zinc/32/62/55/181326255.db2.gz WZDYKSHOCKMYIA-UHFFFAOYSA-N 0 0 306.365 3.655 40 0 DHABRN CC(C)c1ccccc1OCC(=O)NCc1ccc(F)cc1 ZINC000006305758 181327966 /nfs/dbraw/zinc/32/79/66/181327966.db2.gz DGICQZQUICJFJE-UHFFFAOYSA-N 0 0 301.361 3.644 40 0 DHABRN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]43C)[C@H]1CCC(=O)O2 ZINC000006468568 181342871 /nfs/dbraw/zinc/34/28/71/181342871.db2.gz CXFWIKINSICEBC-NMLNPHGOSA-N 0 0 304.430 3.894 40 0 DHABRN COC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000216891718 201501728 /nfs/dbraw/zinc/50/17/28/201501728.db2.gz IQYXLMCRZJEFRM-VQHVLOKHSA-N 0 0 316.328 3.600 40 0 DHABRN Cc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000006966306 181429038 /nfs/dbraw/zinc/42/90/38/181429038.db2.gz KWMVQCOGXQMDRL-UHFFFAOYSA-N 0 0 300.383 3.575 40 0 DHABRN CCc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000218954628 201547970 /nfs/dbraw/zinc/54/79/70/201547970.db2.gz YLHSSKDWCFRDFX-INIZCTEOSA-N 0 0 311.425 3.765 40 0 DHABRN Cc1ccc(OC[C@H](C)NC(=O)c2cc3ccccc3o2)cc1 ZINC000219947955 201567351 /nfs/dbraw/zinc/56/73/51/201567351.db2.gz LAROFRCHMQXQHM-AWEZNQCLSA-N 0 0 309.365 3.939 40 0 DHABRN Cc1nc2ccc(C)cn2c1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000223149384 201633650 /nfs/dbraw/zinc/63/36/50/201633650.db2.gz NWDGKYMJTDNAFO-GFCCVEGCSA-N 0 0 311.360 3.581 40 0 DHABRN CC[C@@H](C(=O)OC)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C ZINC000223200733 201636293 /nfs/dbraw/zinc/63/62/93/201636293.db2.gz WNLXXISROXROMF-WFASDCNBSA-N 0 0 305.418 3.739 40 0 DHABRN COc1ccc(C(C)C)cc1S(=O)(=O)N(C)c1ccccc1 ZINC000223262848 201639476 /nfs/dbraw/zinc/63/94/76/201639476.db2.gz XHBIFHNQMNZAJS-UHFFFAOYSA-N 0 0 319.426 3.644 40 0 DHABRN Cc1ccccc1CNC(=O)COc1cccc2c1CCCC2 ZINC000223290715 201640460 /nfs/dbraw/zinc/64/04/60/201640460.db2.gz JBSDTRGPBHAYHC-UHFFFAOYSA-N 0 0 309.409 3.569 40 0 DHABRN CN(Cc1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000223722865 201655021 /nfs/dbraw/zinc/65/50/21/201655021.db2.gz SWNGYIVTUGWSIP-UHFFFAOYSA-N 0 0 311.406 3.661 40 0 DHABRN CCCNC(=O)c1ccc(OCC)c(COc2ccccc2)c1 ZINC000224358767 201674200 /nfs/dbraw/zinc/67/42/00/201674200.db2.gz QJMZHWIRUNGSCH-UHFFFAOYSA-N 0 0 313.397 3.804 40 0 DHABRN Cc1nc(NC(=S)NC(C)C)c(Cl)cc1Br ZINC000223873277 201660184 /nfs/dbraw/zinc/66/01/84/201660184.db2.gz ODDPVPOYVNGCAB-UHFFFAOYSA-N 0 0 322.659 3.501 40 0 DHABRN CCN(c1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224707589 201677822 /nfs/dbraw/zinc/67/78/22/201677822.db2.gz LSFUJEHVQVOOBG-UHFFFAOYSA-N 0 0 313.781 3.694 40 0 DHABRN Cc1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000225042019 201684280 /nfs/dbraw/zinc/68/42/80/201684280.db2.gz KSEDHLJZRBZPIV-UHFFFAOYSA-N 0 0 311.406 3.973 40 0 DHABRN CCOCc1cc(C(=O)N(C)Cc2ccccc2)ccc1OC ZINC000224406589 201674800 /nfs/dbraw/zinc/67/48/00/201674800.db2.gz BTRYMCTYOUBNQL-UHFFFAOYSA-N 0 0 313.397 3.504 40 0 DHABRN COCc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 ZINC000224431923 201675850 /nfs/dbraw/zinc/67/58/50/201675850.db2.gz UVUWUEXEYDETFE-OAHLLOKOSA-N 0 0 313.397 3.856 40 0 DHABRN CC(C)(C)OC(=O)n1cc(Br)c2cc(N)ccc21 ZINC000255187044 202906569 /nfs/dbraw/zinc/90/65/69/202906569.db2.gz AYCOQEWRAJHBFU-UHFFFAOYSA-N 0 0 311.179 3.769 40 0 DHABRN Cc1cnc([C@H]2CCCN(C(=O)c3sccc3C)C2)s1 ZINC000257209532 202945707 /nfs/dbraw/zinc/94/57/07/202945707.db2.gz BQTVMNNBRCFLNO-LBPRGKRZSA-N 0 0 306.456 3.841 40 0 DHABRN Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)cn1 ZINC000257226207 202959724 /nfs/dbraw/zinc/95/97/24/202959724.db2.gz FJQIPHUQUDSWBE-HNNXBMFYSA-N 0 0 300.427 3.546 40 0 DHABRN CCC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257238052 202970857 /nfs/dbraw/zinc/97/08/57/202970857.db2.gz HJJISFMRTBMLPZ-MRXNPFEDSA-N 0 0 316.376 3.868 40 0 DHABRN Cc1csc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)c1 ZINC000257276553 203004826 /nfs/dbraw/zinc/00/48/26/203004826.db2.gz NUGFBFRIFOPEIW-LBPRGKRZSA-N 0 0 306.456 3.841 40 0 DHABRN Cc1cc(CC[C@@H]2CCCN2C(=O)c2cccs2)ccn1 ZINC000257297675 203022886 /nfs/dbraw/zinc/02/28/86/203022886.db2.gz RIKKRKJXMKGKLK-HNNXBMFYSA-N 0 0 300.427 3.689 40 0 DHABRN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cnccn2)cs1 ZINC000257319841 203042416 /nfs/dbraw/zinc/04/24/16/203042416.db2.gz VUGISKOVELELRY-CQSZACIVSA-N 0 0 301.415 3.639 40 0 DHABRN COC(=O)c1c(F)c(Br)cc(C(F)(F)F)c1F ZINC000258329631 203070731 /nfs/dbraw/zinc/07/07/31/203070731.db2.gz AYKSLYWQIABGJA-UHFFFAOYSA-N 0 0 319.023 3.533 40 0 DHABRN O=C(/C=C/c1ccccc1)NCCOc1ccc(Cl)cc1 ZINC000007269969 181450842 /nfs/dbraw/zinc/45/08/42/181450842.db2.gz LOGMLARTXLZBMN-IZZDOVSWSA-N 0 0 301.773 3.548 40 0 DHABRN CCc1ccccc1N[C@H]1CC(=O)N(c2cc(C)ccc2C)C1=O ZINC000095915163 193449385 /nfs/dbraw/zinc/44/93/85/193449385.db2.gz GNOKBWPIEYQXKX-KRWDZBQOSA-N 0 0 322.408 3.610 40 0 DHABRN C[C@H]1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@H]2O1 ZINC000096043635 193496705 /nfs/dbraw/zinc/49/67/05/193496705.db2.gz LCVJGQWAVQGINB-ITDIGPHOSA-N 0 0 319.788 3.726 40 0 DHABRN O=Cc1c2cc(Br)ccc2[nH]c1-c1ccncc1 ZINC000096295476 193610388 /nfs/dbraw/zinc/61/03/88/193610388.db2.gz FYWGRAFWAMCLKW-UHFFFAOYSA-N 0 0 301.143 3.805 40 0 DHABRN CCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000008080812 181524979 /nfs/dbraw/zinc/52/49/79/181524979.db2.gz MQMRTKXSTSNALE-UHFFFAOYSA-N 0 0 308.381 3.628 40 0 DHABRN Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000010448348 181670185 /nfs/dbraw/zinc/67/01/85/181670185.db2.gz XVVWMGCJLPIPIK-ZDUSSCGKSA-N 0 0 303.789 3.732 40 0 DHABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCc1ccccc1 ZINC000011637266 181696700 /nfs/dbraw/zinc/69/67/00/181696700.db2.gz ZRDCNINCJIETDJ-LJQANCHMSA-N 0 0 311.425 3.820 40 0 DHABRN C=COc1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000013086680 181826884 /nfs/dbraw/zinc/82/68/84/181826884.db2.gz ZCGJGANUVQIGIT-UHFFFAOYSA-N 0 0 322.364 3.671 40 0 DHABRN Cn1c2ccccc2s/c1=N\C(=O)/C=C/c1ccc(F)cc1 ZINC000013209341 181837790 /nfs/dbraw/zinc/83/77/90/181837790.db2.gz RKZBDGNKRSCVNT-BYKMTTGHSA-N 0 0 312.369 3.520 40 0 DHABRN Cc1ccc(C2=Nc3cccnc3C(c3ccccc3)=NN2)cc1 ZINC000013572833 181863966 /nfs/dbraw/zinc/86/39/66/181863966.db2.gz NDGNJSWMORBPNK-UHFFFAOYSA-N 0 0 312.376 3.824 40 0 DHABRN O=C(NC1CC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687574 181880039 /nfs/dbraw/zinc/88/00/39/181880039.db2.gz LGNXPLGOHGTGGK-UHFFFAOYSA-N 0 0 301.773 3.811 40 0 DHABRN C[C@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000013709671 181881864 /nfs/dbraw/zinc/88/18/64/181881864.db2.gz QBLCLNDWJTVJIE-ZDUSSCGKSA-N 0 0 315.800 3.692 40 0 DHABRN COc1ccc(-n2ncc3c2C[C@@H](c2ccccc2)CC3=O)cc1 ZINC000014164163 181931931 /nfs/dbraw/zinc/93/19/31/181931931.db2.gz CTUFBFCFBDZBIT-OAHLLOKOSA-N 0 0 318.376 3.794 40 0 DHABRN COc1ccc(SCC(=O)NCCC2=CCCCC2)cc1 ZINC000015519630 182005587 /nfs/dbraw/zinc/00/55/87/182005587.db2.gz RFHNNQVNLGKGKZ-UHFFFAOYSA-N 0 0 305.443 3.794 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)COc1cccc(Cl)c1 ZINC000015966837 182026922 /nfs/dbraw/zinc/02/69/22/182026922.db2.gz YWYZGSOLKCJLKP-LBPRGKRZSA-N 0 0 319.788 3.605 40 0 DHABRN CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1OC ZINC000015966591 182027223 /nfs/dbraw/zinc/02/72/23/182027223.db2.gz OIODHXXMQHNZQJ-PBHICJAKSA-N 0 0 313.397 3.730 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)Cc1ccccc1Cl ZINC000015966666 182027397 /nfs/dbraw/zinc/02/73/97/182027397.db2.gz FYMFUCJYTACBME-GFCCVEGCSA-N 0 0 303.789 3.769 40 0 DHABRN CCN(CC)C(=O)c1sc2nc(-c3ccccc3)cn2c1C ZINC000016740394 182059593 /nfs/dbraw/zinc/05/95/93/182059593.db2.gz FTUDDBFXCJAUFB-UHFFFAOYSA-N 0 0 313.426 3.853 40 0 DHABRN Cc1ccc2ccccc2c1Cc1c(C=O)[nH]c(=S)[nH]c1=O ZINC000016977795 182067389 /nfs/dbraw/zinc/06/73/89/182067389.db2.gz RJCWBUMCOQQVDG-UHFFFAOYSA-N 0 0 310.378 3.710 40 0 DHABRN CCNC(=O)N1c2ccccc2-c2nc3ccccc3n2[C@@H]1C ZINC000017031324 182069087 /nfs/dbraw/zinc/06/90/87/182069087.db2.gz SWWGWZXRZGULDQ-LBPRGKRZSA-N 0 0 306.369 3.771 40 0 DHABRN COc1ccc(CCNC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000017154962 182077830 /nfs/dbraw/zinc/07/78/30/182077830.db2.gz BEUWFZUPGOGESY-UHFFFAOYSA-N 0 0 309.409 3.547 40 0 DHABRN Nc1nc(Nc2cccc(Cl)c2Cl)nc(C(F)(F)F)n1 ZINC000017056813 182074011 /nfs/dbraw/zinc/07/40/11/182074011.db2.gz WMASOEDQTKCDLU-UHFFFAOYSA-N 0 0 324.093 3.523 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)COc1cccc(C)c1C ZINC000017970250 182088954 /nfs/dbraw/zinc/08/89/54/182088954.db2.gz ILLAAJKVBXVHRC-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN Cc1ccc(OCCNC(=S)Nc2ccccc2)c(C)c1 ZINC000018166460 182095718 /nfs/dbraw/zinc/09/57/18/182095718.db2.gz IRTIJZMOQRNVNK-UHFFFAOYSA-N 0 0 300.427 3.669 40 0 DHABRN Cn1ccc([C@H]2CCCCCN2Cc2c(F)cccc2F)n1 ZINC000019291049 182113376 /nfs/dbraw/zinc/11/33/76/182113376.db2.gz DGFSKLCEHYYFAY-QGZVFWFLSA-N 0 0 305.372 3.816 40 0 DHABRN Cc1cc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)on2)on1 ZINC000019120140 182104961 /nfs/dbraw/zinc/10/49/61/182104961.db2.gz KUHADKQQJBZCGD-AWEZNQCLSA-N 0 0 315.373 3.606 40 0 DHABRN COc1ccc(CN2CCCCC[C@H]2c2cc(C)on2)cc1O ZINC000019119395 182104977 /nfs/dbraw/zinc/10/49/77/182104977.db2.gz FLSBELFFSWFAMO-INIZCTEOSA-N 0 0 316.401 3.815 40 0 DHABRN Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000019214950 182108220 /nfs/dbraw/zinc/10/82/20/182108220.db2.gz VFLILPCQUNABAU-FCGDIQPGSA-N 0 0 306.409 3.702 40 0 DHABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)C3 ZINC000019236573 182110704 /nfs/dbraw/zinc/11/07/04/182110704.db2.gz CMKAYMDLPLRQCP-IJEWVQPXSA-N 0 0 306.409 3.573 40 0 DHABRN O=C(C1[C@@H]2CCCC[C@H]12)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000019335674 182117165 /nfs/dbraw/zinc/11/71/65/182117165.db2.gz MRKYFDAAAOKBTB-JWTNVVGKSA-N 0 0 317.404 3.632 40 0 DHABRN O=C(CC1CCCC1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019346880 182118182 /nfs/dbraw/zinc/11/81/82/182118182.db2.gz YLHAFTCVLSBMGP-MRXNPFEDSA-N 0 0 311.429 3.849 40 0 DHABRN Fc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 ZINC000019372258 182121045 /nfs/dbraw/zinc/12/10/45/182121045.db2.gz PZCLHRGQHOZABG-UHFFFAOYSA-N 0 0 308.356 3.769 40 0 DHABRN O=C(c1ccccn1)N1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000019399694 182121879 /nfs/dbraw/zinc/12/18/79/182121879.db2.gz RSTKVURCGBWVLV-KRWDZBQOSA-N 0 0 317.392 3.650 40 0 DHABRN Cc1cc(Br)ccc1NC(=O)c1cccc(N)c1 ZINC000019403154 182121953 /nfs/dbraw/zinc/12/19/53/182121953.db2.gz RPOYUZGROQGWSA-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN CCc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)no1 ZINC000019522690 182127153 /nfs/dbraw/zinc/12/71/53/182127153.db2.gz DVROLCJVJQUMTR-UHFFFAOYSA-N 0 0 317.345 3.752 40 0 DHABRN CCc1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)on1 ZINC000019522773 182127463 /nfs/dbraw/zinc/12/74/63/182127463.db2.gz QNPXYBONLNWHNH-FPAYPSAMSA-N 0 0 324.424 3.939 40 0 DHABRN CC(C)(CO)CCCn1cncc1-c1c[nH]nc1-c1ccccc1 ZINC000019719581 182138698 /nfs/dbraw/zinc/13/86/98/182138698.db2.gz ORXVWBWITSTNEW-UHFFFAOYSA-N 0 0 324.428 3.739 40 0 DHABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1 ZINC000020107633 182187963 /nfs/dbraw/zinc/18/79/63/182187963.db2.gz WYELWOPPKXIBSR-MRXNPFEDSA-N 0 0 303.789 3.814 40 0 DHABRN CN(C1CCCC1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000020112527 182188114 /nfs/dbraw/zinc/18/81/14/182188114.db2.gz GOFUZTHSOVRRFZ-UHFFFAOYSA-N 0 0 322.257 3.698 40 0 DHABRN NC(=O)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl ZINC000020154437 182192874 /nfs/dbraw/zinc/19/28/74/182192874.db2.gz HTGDVQZOZQYBBE-UHFFFAOYSA-N 0 0 307.136 3.901 40 0 DHABRN COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(N)c1 ZINC000020343458 182209888 /nfs/dbraw/zinc/20/98/88/182209888.db2.gz UGVDBSCCZGOZCM-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2)cc1OC ZINC000020455691 182219593 /nfs/dbraw/zinc/21/95/93/182219593.db2.gz QUOACVUBXBPJHW-GFCCVEGCSA-N 0 0 317.410 3.823 40 0 DHABRN COc1ccc(SCC(=O)Nc2cccc(F)c2)cc1OC ZINC000020457407 182220213 /nfs/dbraw/zinc/22/02/13/182220213.db2.gz DCUSQTPWCAFHHL-UHFFFAOYSA-N 0 0 321.373 3.574 40 0 DHABRN CCOCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 ZINC000020495583 182225395 /nfs/dbraw/zinc/22/53/95/182225395.db2.gz SKULVTCYNMXFMX-SFHVURJKSA-N 0 0 315.413 3.540 40 0 DHABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 ZINC000020495801 182225473 /nfs/dbraw/zinc/22/54/73/182225473.db2.gz NFGWUPPKWUAVHD-CXAGYDPISA-N 0 0 301.361 3.861 40 0 DHABRN O=C(Nc1ccc(Cl)cc1)c1cnn(Cc2ccccc2)c1 ZINC000020894609 182252233 /nfs/dbraw/zinc/25/22/33/182252233.db2.gz YJCIILZSEDYPHZ-UHFFFAOYSA-N 0 0 311.772 3.837 40 0 DHABRN Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccccc3)no2)c1 ZINC000021122402 182265919 /nfs/dbraw/zinc/26/59/19/182265919.db2.gz LEGLCVNKEKFQNI-UHFFFAOYSA-N 0 0 321.380 3.925 40 0 DHABRN O=C(NC1CCCCC1)c1cccnc1NCCc1ccccc1 ZINC000022052409 182307238 /nfs/dbraw/zinc/30/72/38/182307238.db2.gz WAVCIZNODBYQBY-UHFFFAOYSA-N 0 0 323.440 3.799 40 0 DHABRN COc1ccc(Cc2nc3c(cc(Cl)n3C)c(C)n2)cc1 ZINC000022113840 182309483 /nfs/dbraw/zinc/30/94/83/182309483.db2.gz NGHRXKLHZQQUDU-UHFFFAOYSA-N 0 0 301.777 3.530 40 0 DHABRN S=C(NCCOc1ccc(Cl)cc1)Nc1ccccc1 ZINC000022271179 182316573 /nfs/dbraw/zinc/31/65/73/182316573.db2.gz FVJKCXFECQRHIN-UHFFFAOYSA-N 0 0 306.818 3.705 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1OC ZINC000022518058 182324348 /nfs/dbraw/zinc/32/43/48/182324348.db2.gz SDKIJDRTVMWLNA-OAHLLOKOSA-N 0 0 303.333 3.630 40 0 DHABRN COC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000022757677 182333342 /nfs/dbraw/zinc/33/33/42/182333342.db2.gz CXQKYTGFKHJEFZ-PKNBQFBNSA-N 0 0 312.365 3.769 40 0 DHABRN COCc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000025334789 182409886 /nfs/dbraw/zinc/40/98/86/182409886.db2.gz SXIRCMJNJDTEMA-UHFFFAOYSA-N 0 0 320.186 3.848 40 0 DHABRN CC(C)(C)OC(=O)N1CCC2(CNc3c2cccc3F)CC1 ZINC000098213611 193792304 /nfs/dbraw/zinc/79/23/04/193792304.db2.gz BMWNBKHUOCPQGP-UHFFFAOYSA-N 0 0 306.381 3.520 40 0 DHABRN Cc1ccc(/C=C/C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000030014747 182583208 /nfs/dbraw/zinc/58/32/08/182583208.db2.gz CHOVILMEKOPKPZ-BUHFOSPRSA-N 0 0 308.425 3.651 40 0 DHABRN Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccccc2C)c1 ZINC000030847241 182599094 /nfs/dbraw/zinc/59/90/94/182599094.db2.gz YDTKFDZTYNHZHW-KRWDZBQOSA-N 0 0 311.425 3.820 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000032609787 182650369 /nfs/dbraw/zinc/65/03/69/182650369.db2.gz VIGVQZVUSBOYSL-CQSZACIVSA-N 0 0 313.397 3.973 40 0 DHABRN O=C(NC1CCCCCCC1)C1(c2ccccc2)CCOCC1 ZINC000032656426 182653670 /nfs/dbraw/zinc/65/36/70/182653670.db2.gz LGPPDCSNMPUAQQ-UHFFFAOYSA-N 0 0 315.457 3.964 40 0 DHABRN CCc1ccccc1N[C@H]1CC(=O)N(c2cccc(C)c2C)C1=O ZINC000101275288 193809542 /nfs/dbraw/zinc/80/95/42/193809542.db2.gz KAXVRDKWJYWCES-KRWDZBQOSA-N 0 0 322.408 3.610 40 0 DHABRN CCOc1ccccc1NC(=S)NCCSC(C)(C)C ZINC000034262874 182731393 /nfs/dbraw/zinc/73/13/93/182731393.db2.gz ZBSBZOGDDKDXQM-UHFFFAOYSA-N 0 0 312.504 3.903 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)NCCSc1ccccc1 ZINC000038753398 183008778 /nfs/dbraw/zinc/00/87/78/183008778.db2.gz ZSOHSOOJLGOMAU-HNNXBMFYSA-N 0 0 315.438 3.671 40 0 DHABRN Cc1cc(C)cc(OCC(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000038757243 183009303 /nfs/dbraw/zinc/00/93/03/183009303.db2.gz BYCVWJHDPGCFQP-UHFFFAOYSA-N 0 0 317.816 3.994 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 ZINC000038772576 183009458 /nfs/dbraw/zinc/00/94/58/183009458.db2.gz FRCBLFOKDPPHBN-NSHDSACASA-N 0 0 305.761 3.755 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@H](COc2cccc(Cl)c2)C1 ZINC000039954513 183024514 /nfs/dbraw/zinc/02/45/14/183024514.db2.gz VQVYMDXKMVZFDP-GFCCVEGCSA-N 0 0 311.809 3.976 40 0 DHABRN CCOc1ccc([C@@H](O)c2ccccc2Br)cc1 ZINC000040244577 183049259 /nfs/dbraw/zinc/04/92/59/183049259.db2.gz PCHHHKDGSFCSBC-OAHLLOKOSA-N 0 0 307.187 3.930 40 0 DHABRN COc1ccc([C@H](O)c2ccc(Br)cc2)c(C)c1 ZINC000040246002 183049415 /nfs/dbraw/zinc/04/94/15/183049415.db2.gz BZNVVEIUBGUOFV-OAHLLOKOSA-N 0 0 307.187 3.848 40 0 DHABRN CN(C(=O)c1cc(N)c(Cl)c(Cl)c1)C1CCCCC1 ZINC000040293304 183052039 /nfs/dbraw/zinc/05/20/39/183052039.db2.gz WKRJNTWCRXLFSZ-UHFFFAOYSA-N 0 0 301.217 3.980 40 0 DHABRN CN(C)c1ccc(N)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040297383 183052970 /nfs/dbraw/zinc/05/29/70/183052970.db2.gz JXDIOCOSSLPAMS-UHFFFAOYSA-N 0 0 324.211 3.894 40 0 DHABRN O=C(Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000040817587 183137432 /nfs/dbraw/zinc/13/74/32/183137432.db2.gz MDHKRGSDUGHKNP-INIZCTEOSA-N 0 0 319.408 3.512 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000040946047 183149539 /nfs/dbraw/zinc/14/95/39/183149539.db2.gz UDPZWXLOWXQSAF-LLVKDONJSA-N 0 0 305.761 3.755 40 0 DHABRN CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000040945947 183149992 /nfs/dbraw/zinc/14/99/92/183149992.db2.gz PJNXOXHUIVGKIQ-CABCVRRESA-N 0 0 307.434 3.795 40 0 DHABRN CCN(CC)C(=O)Cc1ccc(-c2nc3ccccc3o2)cc1 ZINC000041127124 183169288 /nfs/dbraw/zinc/16/92/88/183169288.db2.gz MBRLGNSZMBXSFE-UHFFFAOYSA-N 0 0 308.381 3.906 40 0 DHABRN CN(C)C(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000041127663 183169611 /nfs/dbraw/zinc/16/96/11/183169611.db2.gz OATQONZPXDEACX-UHFFFAOYSA-N 0 0 314.772 3.779 40 0 DHABRN CC(=O)Nc1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1 ZINC000041306751 183185196 /nfs/dbraw/zinc/18/51/96/183185196.db2.gz KJJACBWBJGJZKM-UHFFFAOYSA-N 0 0 308.337 3.952 40 0 DHABRN Cn1c2ccccc2c(-c2ccccc2)c(Br)c1=O ZINC000044137798 183396399 /nfs/dbraw/zinc/39/63/99/183396399.db2.gz RZAQUJMLIPTORZ-UHFFFAOYSA-N 0 0 314.182 3.968 40 0 DHABRN CCOc1cccc(CNC(=S)Nc2ccc(OC)cc2)c1 ZINC000044155742 183396497 /nfs/dbraw/zinc/39/64/97/183396497.db2.gz UEIUNYTZZBFOFM-UHFFFAOYSA-N 0 0 316.426 3.581 40 0 DHABRN CC(C)Oc1cccc(CNC(=S)Nc2ccccc2)c1 ZINC000044239607 183399563 /nfs/dbraw/zinc/39/95/63/183399563.db2.gz UVQGWAIVYOAOCV-UHFFFAOYSA-N 0 0 300.427 3.960 40 0 DHABRN COc1ccc(Cl)cc1C(=O)NCCSC1CCCC1 ZINC000046450606 183561944 /nfs/dbraw/zinc/56/19/44/183561944.db2.gz YSLCLAQZUDPZTM-UHFFFAOYSA-N 0 0 313.850 3.754 40 0 DHABRN COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2F)cc1 ZINC000051527947 183828399 /nfs/dbraw/zinc/82/83/99/183828399.db2.gz DAKCDAVUQIIEQO-UHFFFAOYSA-N 0 0 307.752 3.760 40 0 DHABRN Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(F)cc1 ZINC000055693785 183995133 /nfs/dbraw/zinc/99/51/33/183995133.db2.gz UEKZGMLVXJBHMZ-OAHLLOKOSA-N 0 0 315.388 3.650 40 0 DHABRN CCc1cc(Br)c(OC)c(C(=O)N(CC)CC)c1 ZINC000057339328 184033787 /nfs/dbraw/zinc/03/37/87/184033787.db2.gz SDLHODCKFJRGBC-UHFFFAOYSA-N 0 0 314.223 3.502 40 0 DHABRN CCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1Cl ZINC000057340314 184033947 /nfs/dbraw/zinc/03/39/47/184033947.db2.gz MQINUSRAWDUHCA-UHFFFAOYSA-N 0 0 304.777 3.882 40 0 DHABRN Clc1cc(Cl)nc(-c2cncc(Br)c2)n1 ZINC000059246807 184135854 /nfs/dbraw/zinc/13/58/54/184135854.db2.gz JZQXDVQEKCOQOW-UHFFFAOYSA-N 0 0 304.962 3.608 40 0 DHABRN CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccccc1Cl ZINC000059291846 184136448 /nfs/dbraw/zinc/13/64/48/184136448.db2.gz RLZIUSJZBUPFJK-UHFFFAOYSA-N 0 0 317.882 3.974 40 0 DHABRN Cc1ccc(-c2noc(CNC(=S)Nc3ccccc3)n2)cc1 ZINC000059294736 184136475 /nfs/dbraw/zinc/13/64/75/184136475.db2.gz WNAIFRBBTLKSNG-UHFFFAOYSA-N 0 0 324.409 3.532 40 0 DHABRN Cc1ccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000059737981 184140031 /nfs/dbraw/zinc/14/00/31/184140031.db2.gz GXLLXQDTVQRSIJ-UHFFFAOYSA-N 0 0 317.816 3.960 40 0 DHABRN O=Cc1ccc(OCc2cc(F)ccc2Br)cc1 ZINC000060800632 184155791 /nfs/dbraw/zinc/15/57/91/184155791.db2.gz XYMGUHQHRASCRV-UHFFFAOYSA-N 0 0 309.134 3.980 40 0 DHABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000064572310 184300052 /nfs/dbraw/zinc/30/00/52/184300052.db2.gz OSRWHMBNYWKPKS-UHFFFAOYSA-N 0 0 321.467 3.619 40 0 DHABRN CC(C)c1cccc2c3nn(-c4ccccc4)c(=O)c-3c[nH]c21 ZINC000064873752 184305485 /nfs/dbraw/zinc/30/54/85/184305485.db2.gz JXKBUKZQJDVXDE-UHFFFAOYSA-N 0 0 303.365 3.990 40 0 DHABRN Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000113948563 194622061 /nfs/dbraw/zinc/62/20/61/194622061.db2.gz QIOJJCXDPCMINK-UONOGXRCSA-N 0 0 301.361 3.779 40 0 DHABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(F)cc1 ZINC000113953698 194624035 /nfs/dbraw/zinc/62/40/35/194624035.db2.gz LFHJEWVTMBVKPM-KRWDZBQOSA-N 0 0 301.361 3.608 40 0 DHABRN CCOP(=O)(OCC)[C@H]1[C@H](C)N1C(=O)Nc1ccccc1 ZINC000001655555 256514252 /nfs/dbraw/zinc/51/42/52/256514252.db2.gz KDAFSJFRCHBLIE-BWGCTNMISA-N 0 0 312.306 3.515 40 0 DHABRN CC(C)(C)c1ccc(-c2noc(-c3cnc(N)s3)n2)cc1 ZINC000034797867 256532606 /nfs/dbraw/zinc/53/26/06/256532606.db2.gz GLOWHHJCQSUIMA-UHFFFAOYSA-N 0 0 300.387 3.740 40 0 DHABRN CC(=O)O[C@H]1[C@H](O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1 ZINC000253388398 256615426 /nfs/dbraw/zinc/61/54/26/256615426.db2.gz RRGRXDIGPVAQIW-IYWMVGAKSA-N 0 0 310.393 3.640 40 0 biogenic,in-vitro DHABRN COc1ncc([C@@H]2CCCCN2C(=O)c2ccccc2)cc1C ZINC000072217757 257125121 /nfs/dbraw/zinc/12/51/21/257125121.db2.gz 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Cc1nn(-c2ccc(Cl)cc2)c2c1c(=O)[nH]c1ccccc21 ZINC000008652743 563348697 /nfs/dbraw/zinc/34/86/97/563348697.db2.gz IJIAUNGJHQRZLW-UHFFFAOYSA-N 0 0 309.756 3.829 40 0 DHABRN C[C@H]1[C@H]2CC[C@@H]([C@@H]1OC[C@H](O)CSc1ccccn1)C2(C)C ZINC000036597093 563353726 /nfs/dbraw/zinc/35/37/26/563353726.db2.gz TWDXDPVWDPRXGY-KSXIZUIISA-N 0 0 321.486 3.622 40 0 DHABRN COc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1OC ZINC000010409033 563356610 /nfs/dbraw/zinc/35/66/10/563356610.db2.gz WWBFBJZMUUNMKT-UHFFFAOYSA-N 0 0 319.788 3.929 40 0 DHABRN COc1cccc(NC(=O)NCCCOC2CCCCC2)c1 ZINC000011557605 563358357 /nfs/dbraw/zinc/35/83/57/563358357.db2.gz XTMINMRZSOBLJL-UHFFFAOYSA-N 0 0 306.406 3.556 40 0 DHABRN CCOc1ccc([C@H](C)NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000010977911 563358387 /nfs/dbraw/zinc/35/83/87/563358387.db2.gz TWSOOFJELFTWMX-AWEZNQCLSA-N 0 0 313.397 3.514 40 0 DHABRN CCOC(=O)c1cc(NC(=O)c2cccs2)ccc1Cl ZINC000010824652 563358459 /nfs/dbraw/zinc/35/84/59/563358459.db2.gz OVMFUTLLWVHQSD-UHFFFAOYSA-N 0 0 309.774 3.831 40 0 DHABRN CCC(=O)N1CCc2cc(-c3cn4cc(C)ccc4n3)ccc21 ZINC000012088185 563361704 /nfs/dbraw/zinc/36/17/04/563361704.db2.gz BRACEYHVXRWQPW-UHFFFAOYSA-N 0 0 305.381 3.609 40 0 DHABRN C[C@@H](Cc1cccs1)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000012148654 563362945 /nfs/dbraw/zinc/36/29/45/563362945.db2.gz COBCKTAITRMQJD-LBPRGKRZSA-N 0 0 316.401 3.589 40 0 DHABRN Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2C(C)C)on1 ZINC000012186864 563364002 /nfs/dbraw/zinc/36/40/02/563364002.db2.gz HGTUHSIXDQIKRH-GFCCVEGCSA-N 0 0 300.406 3.800 40 0 DHABRN CCCc1cc([C@H]2CCCCCN2C(=O)c2ccco2)no1 ZINC000012185821 563364078 /nfs/dbraw/zinc/36/40/78/563364078.db2.gz BUTSKJNXVNBYGL-OAHLLOKOSA-N 0 0 302.374 3.978 40 0 DHABRN CC(C)(C)C(=O)N1CCC(c2onc3c2CCCCC3)CC1 ZINC000012219814 563364802 /nfs/dbraw/zinc/36/48/02/563364802.db2.gz KYVPXTUACIFENC-UHFFFAOYSA-N 0 0 304.434 3.696 40 0 DHABRN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1cc2cccnc2[nH]1 ZINC000012236394 563365641 /nfs/dbraw/zinc/36/56/41/563365641.db2.gz GUWPFAWPUBIUGD-MRXNPFEDSA-N 0 0 309.344 3.679 40 0 DHABRN Cc1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1C=O ZINC000012847870 563374649 /nfs/dbraw/zinc/37/46/49/563374649.db2.gz YOVMOEKJGAZPGH-UHFFFAOYSA-N 0 0 323.249 3.675 40 0 DHABRN c1ccc(-c2nc3ccccc3n2CCc2ccncc2)nc1 ZINC000013211799 563379351 /nfs/dbraw/zinc/37/93/51/563379351.db2.gz NKHSTDRPODDKLJ-UHFFFAOYSA-N 0 0 300.365 3.736 40 0 DHABRN CC[C@](O)(c1cnc(C)n1Cc1ccccc1)c1ccccc1 ZINC000013281740 563379996 /nfs/dbraw/zinc/37/99/96/563379996.db2.gz FLIYIFLGOGWACE-HXUWFJFHSA-N 0 0 306.409 3.886 40 0 DHABRN CCCCn1c(N)c(C(=O)N2CCCCCC2)sc1=S ZINC000013547189 563383419 /nfs/dbraw/zinc/38/34/19/563383419.db2.gz QVQOHPCIYAMAFT-UHFFFAOYSA-N 0 0 313.492 3.678 40 0 DHABRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000013649428 563384308 /nfs/dbraw/zinc/38/43/08/563384308.db2.gz NBLKCPVVNTZYIV-LBPRGKRZSA-N 0 0 319.788 3.546 40 0 DHABRN COc1ccc(OC)c([C@@H](C)NC(=S)Nc2ccccc2)c1 ZINC000013754962 563388987 /nfs/dbraw/zinc/38/89/87/563388987.db2.gz KGOPOOCPIQCIAI-GFCCVEGCSA-N 0 0 316.426 3.751 40 0 DHABRN COC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000013796117 563389263 /nfs/dbraw/zinc/38/92/63/563389263.db2.gz JNUVVNXDJJATHM-UHFFFAOYSA-N 0 0 320.801 3.936 40 0 DHABRN COc1ccc([C@@H](C)NC(=S)Nc2cccc(F)c2)cc1 ZINC000013932634 563392625 /nfs/dbraw/zinc/39/26/25/563392625.db2.gz SHYPFYXDXZAVEF-LLVKDONJSA-N 0 0 304.390 3.882 40 0 DHABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014219028 563398352 /nfs/dbraw/zinc/39/83/52/563398352.db2.gz UGBJUIYRBNPDQT-LBPRGKRZSA-N 0 0 323.845 3.942 40 0 DHABRN CSc1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000014701885 563403114 /nfs/dbraw/zinc/40/31/14/563403114.db2.gz YGUCGMWUZVUOCC-UHFFFAOYSA-N 0 0 315.394 3.709 40 0 DHABRN COc1ccc(C)cc1NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000014795819 563403153 /nfs/dbraw/zinc/40/31/53/563403153.db2.gz RRWSONZTVVTHCI-UHFFFAOYSA-N 0 0 321.380 3.501 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1C ZINC000015366686 563409776 /nfs/dbraw/zinc/40/97/76/563409776.db2.gz HFTHDKPTIDNIFV-CQSZACIVSA-N 0 0 301.361 3.526 40 0 DHABRN Cc1cc2nc(NC(=O)c3cc(F)ccc3F)[nH]c2cc1C ZINC000016284165 563412119 /nfs/dbraw/zinc/41/21/19/563412119.db2.gz PEELAOIONUNGAC-UHFFFAOYSA-N 0 0 301.296 3.710 40 0 DHABRN NC(=O)c1cc(-c2ccccc2)[nH]c1-c1nccc2ccccc21 ZINC000017429190 563414545 /nfs/dbraw/zinc/41/45/45/563414545.db2.gz ZGIFFDYYZJUMQC-UHFFFAOYSA-N 0 0 313.360 3.996 40 0 DHABRN O=C(COc1ccccc1Cl)NCCSc1ccccc1 ZINC000018214501 563415190 /nfs/dbraw/zinc/41/51/90/563415190.db2.gz ONWQDLLQQQEFHY-UHFFFAOYSA-N 0 0 321.829 3.627 40 0 DHABRN CC[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(OC)cc1 ZINC000025513328 563423732 /nfs/dbraw/zinc/42/37/32/563423732.db2.gz BGHLBVYCSXEZDE-SFHVURJKSA-N 0 0 313.397 3.650 40 0 DHABRN COCc1cccc(NC(=O)CCSc2ccccc2)c1 ZINC000026031702 563424620 /nfs/dbraw/zinc/42/46/20/563424620.db2.gz DKAZAMQCBGTYTB-UHFFFAOYSA-N 0 0 301.411 3.954 40 0 DHABRN Cc1ccc(OCC(=O)NCCSc2ccc(C)cc2)cc1 ZINC000026396092 563426011 /nfs/dbraw/zinc/42/60/11/563426011.db2.gz XJDDNMDIOQCIPV-UHFFFAOYSA-N 0 0 315.438 3.591 40 0 DHABRN CC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000027339058 563428128 /nfs/dbraw/zinc/42/81/28/563428128.db2.gz PBCJVKBWXJINTP-LLVKDONJSA-N 0 0 306.793 3.842 40 0 DHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1 ZINC000030754895 563438052 /nfs/dbraw/zinc/43/80/52/563438052.db2.gz FZBFTGNZUOOOBJ-HNNXBMFYSA-N 0 0 324.424 3.705 40 0 DHABRN c1ccc2c(c1)-c1nc3ccccc3cc1[C@H]2N1CCOCC1 ZINC000031637929 563440313 /nfs/dbraw/zinc/44/03/13/563440313.db2.gz GCVZMKPZSVQVNL-FQEVSTJZSA-N 0 0 302.377 3.637 40 0 in-vitro DHABRN CSc1ncc2c(n1)-c1ccccc1O[C@H]2N1CCCCC1 ZINC000031872230 563441256 /nfs/dbraw/zinc/44/12/56/563441256.db2.gz CBJBSWDHGYLNKE-MRXNPFEDSA-N 0 0 313.426 3.742 40 0 DHABRN CSc1ncc2c(n1)-c1ccccc1O[C@@H]2N1CCCCC1 ZINC000031872228 563441528 /nfs/dbraw/zinc/44/15/28/563441528.db2.gz CBJBSWDHGYLNKE-INIZCTEOSA-N 0 0 313.426 3.742 40 0 DHABRN Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1C ZINC000036635403 563456690 /nfs/dbraw/zinc/45/66/90/563456690.db2.gz WVKLJMBBSQHUOS-KRWDZBQOSA-N 0 0 322.408 3.664 40 0 DHABRN Fc1ccccc1CN(CCCn1ccnc1)Cc1ccoc1 ZINC000036740363 563457262 /nfs/dbraw/zinc/45/72/62/563457262.db2.gz RBUROPPODRUGQK-UHFFFAOYSA-N 0 0 313.376 3.708 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C)cc1 ZINC000044840561 563462362 /nfs/dbraw/zinc/46/23/62/563462362.db2.gz XEDGDQGAXUKAHD-GOSISDBHSA-N 0 0 315.388 3.950 40 0 DHABRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2C)c(C)c1 ZINC000044899766 563463876 /nfs/dbraw/zinc/46/38/76/563463876.db2.gz TYJQPBMFPIOCIJ-MRXNPFEDSA-N 0 0 317.454 3.792 40 0 DHABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000045866125 563465220 /nfs/dbraw/zinc/46/52/20/563465220.db2.gz LBUOTTBSOFQCMX-UHFFFAOYSA-N 0 0 313.781 3.897 40 0 DHABRN Cc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 ZINC000052410752 563469015 /nfs/dbraw/zinc/46/90/15/563469015.db2.gz PMGQMHFMZPVZLR-UHFFFAOYSA-N 0 0 324.409 3.532 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(F)cc2)C1 ZINC000089212719 563484286 /nfs/dbraw/zinc/48/42/86/563484286.db2.gz FIZMISDRFODYSK-ZDUSSCGKSA-N 0 0 308.397 3.885 40 0 DHABRN CC[C@@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096519542 563486183 /nfs/dbraw/zinc/48/61/83/563486183.db2.gz YWJJZWUUUUAZFU-ROUUACIJSA-N 0 0 318.438 3.600 40 0 DHABRN Cc1nc2ccc(C)cn2c1C(=O)NCc1ccccc1Cl ZINC000071476860 563499726 /nfs/dbraw/zinc/49/97/26/563499726.db2.gz NUCHOCHOLUXSIX-UHFFFAOYSA-N 0 0 313.788 3.535 40 0 DHABRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC000071977282 563501534 /nfs/dbraw/zinc/50/15/34/563501534.db2.gz UPIFPGFWCWYQRT-UHFFFAOYSA-N 0 0 319.426 3.891 40 0 DHABRN O=C(Cc1cccc(Br)c1)Nc1ccccc1F ZINC000072064049 563501831 /nfs/dbraw/zinc/50/18/31/563501831.db2.gz NIPNRLRDBBDBMB-UHFFFAOYSA-N 0 0 308.150 3.769 40 0 DHABRN Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc1C ZINC000071978328 563501856 /nfs/dbraw/zinc/50/18/56/563501856.db2.gz SJISHGHEFBXYTM-UHFFFAOYSA-N 0 0 319.364 3.738 40 0 DHABRN CC(=O)N1CCC[C@H]1c1ccnc(-c2nc(C)c(C)s2)c1 ZINC000585179623 563525346 /nfs/dbraw/zinc/52/53/46/563525346.db2.gz MJEMARCSVMIWEB-HNNXBMFYSA-N 0 0 301.415 3.505 40 0 DHABRN Cc1ccc(C)c(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)c1 ZINC000095915159 563530522 /nfs/dbraw/zinc/53/05/22/563530522.db2.gz RLLMRWHJCSNANJ-INIZCTEOSA-N 0 0 322.408 3.664 40 0 DHABRN CCN(CCO)[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000095934895 563531267 /nfs/dbraw/zinc/53/12/67/563531267.db2.gz KFDOEMHLULHRKQ-QGZVFWFLSA-N 0 0 317.816 3.578 40 0 DHABRN Cc1nc([C@@H]2C[C@@H]3CCN(Cc4ccoc4)C[C@H]3O2)sc1C ZINC000096046308 563532071 /nfs/dbraw/zinc/53/20/71/563532071.db2.gz KRWNDGNDVJNABQ-HRCADAONSA-N 0 0 318.442 3.705 40 0 DHABRN Fc1ccccc1N1CCC2(C[C@H](c3cccnc3)CO2)CC1 ZINC000096220309 563535690 /nfs/dbraw/zinc/53/56/90/563535690.db2.gz UANMSQMXOHJKQK-INIZCTEOSA-N 0 0 312.388 3.764 40 0 DHABRN COc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1F ZINC000097160625 563537584 /nfs/dbraw/zinc/53/75/84/563537584.db2.gz UPIOZDSFGQINMZ-UHFFFAOYSA-N 0 0 309.340 3.918 40 0 DHABRN CC1(C)CC[C@H]2CN(C(=O)/C=C/c3ccccc3)CC[C@@]2(C)O1 ZINC000585283736 563541986 /nfs/dbraw/zinc/54/19/86/563541986.db2.gz CFMHYPSTHIUYGY-BYGNXNDRSA-N 0 0 313.441 3.896 40 0 DHABRN CN1CC(=O)C(c2ccccc2Oc2ccc(Cl)cc2)C1=O ZINC000100038176 563544992 /nfs/dbraw/zinc/54/49/92/563544992.db2.gz KVJWENUOONPUIS-UHFFFAOYSA-N 0 0 315.756 3.873 40 0 in-vitro DHABRN C[C@]12C=Cc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000100778903 563553453 /nfs/dbraw/zinc/55/34/53/563553453.db2.gz JEKMKNDURXDJAD-WPHVRAEDSA-N 0 0 314.425 3.720 40 0 endogenous,in-man DHABRN CC(C)(C)OC(=O)N1CC[C@H](CSCc2ccncc2)C1 ZINC000085333623 563568548 /nfs/dbraw/zinc/56/85/48/563568548.db2.gz VGYIFFGPSPATGI-AWEZNQCLSA-N 0 0 308.447 3.572 40 0 DHABRN CC1CC(COc2ccc(I)cc2)C1 ZINC000085390803 563569042 /nfs/dbraw/zinc/56/90/42/563569042.db2.gz VJSSVQBIMZBBKY-UHFFFAOYSA-N 0 0 302.155 3.716 40 0 DHABRN CO[C@H](C)c1scc(Br)c1Br ZINC000085390809 563569230 /nfs/dbraw/zinc/56/92/30/563569230.db2.gz XEHCAAVEVFKSRL-SCSAIBSYSA-N 0 0 300.015 3.981 40 0 DHABRN Cc1ccc(N(C)S(=O)(=O)c2cccs2)cc1Cl ZINC000113139576 563580467 /nfs/dbraw/zinc/58/04/67/563580467.db2.gz NKCGPTJGMYWKIF-UHFFFAOYSA-N 0 0 301.820 3.535 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000113954686 563585812 /nfs/dbraw/zinc/58/58/12/563585812.db2.gz PUOYDKIRBRXJSJ-CYBMUJFWSA-N 0 0 317.816 3.986 40 0 DHABRN COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000123014003 563597975 /nfs/dbraw/zinc/59/79/75/563597975.db2.gz KYDNIBIRNWKBDY-UHFFFAOYSA-N 0 0 312.300 3.742 40 0 DHABRN COc1ccc([C@H]2OC[C@@]3(CO)[C@H](C)[C@@H]2C(C)=C[C@@H]3C)cc1 ZINC000000228787 563607016 /nfs/dbraw/zinc/60/70/16/563607016.db2.gz RJYHUHMMBLCXKJ-HLULTAIVSA-N 0 0 302.414 3.594 40 0 DHABRN Cc1nc2ccccn2c1-c1csc(NC(=O)c2ccco2)n1 ZINC000000411578 563608137 /nfs/dbraw/zinc/60/81/37/563608137.db2.gz JVYCHPAHDFVLEG-UHFFFAOYSA-N 0 0 324.365 3.612 40 0 DHABRN CC[C@H](C)NC(=O)c1sc2nc3ccc(C)cc3cc2c1N ZINC000000412192 563608352 /nfs/dbraw/zinc/60/83/52/563608352.db2.gz HEAGNMPPPAYCQN-JTQLQIEISA-N 0 0 313.426 3.868 40 0 DHABRN CCc1cc2ccccc2nc1SCC(=O)N1CCCCC1 ZINC000000413289 563608651 /nfs/dbraw/zinc/60/86/51/563608651.db2.gz DWNBWHPMSIMWHL-UHFFFAOYSA-N 0 0 314.454 3.902 40 0 DHABRN CC(C)[C@@H](c1nnnn1C1CCCC1)N1CCc2ccccc21 ZINC000000417492 563609031 /nfs/dbraw/zinc/60/90/31/563609031.db2.gz VEOTWIPGNJIFSF-KRWDZBQOSA-N 0 0 311.433 3.548 40 0 DHABRN O=C1NC(=O)C(=Cc2ccccc2OCc2ccccc2)S1 ZINC000000975267 563619545 /nfs/dbraw/zinc/61/95/45/563619545.db2.gz CAHCXHIKGCIUCO-GDNBJRDFSA-N 0 0 311.362 3.590 40 0 DHABRN O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1F ZINC000001340637 563620493 /nfs/dbraw/zinc/62/04/93/563620493.db2.gz XEEUFFCKTHZZLC-UHFFFAOYSA-N 0 0 321.355 3.894 40 0 DHABRN O=C(CCc1cccnc1)N[C@@H]1[C@@H]2CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000409412761 563628110 /nfs/dbraw/zinc/62/81/10/563628110.db2.gz AGOQOTOIUNIUBI-IZZBFERCSA-N 0 0 320.436 3.713 40 0 DHABRN COc1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000006174740 563637979 /nfs/dbraw/zinc/63/79/79/563637979.db2.gz XDWAQLFDFJBULY-UHFFFAOYSA-N 0 0 321.760 3.618 40 0 DHABRN Cc1cc(C)nc(Nc2cccc(C(=O)NCCC(C)C)c2)n1 ZINC000170580102 563648562 /nfs/dbraw/zinc/64/85/62/563648562.db2.gz PZMBCLSMJYMPRC-UHFFFAOYSA-N 0 0 312.417 3.613 40 0 DHABRN COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1C ZINC000011287801 563649922 /nfs/dbraw/zinc/64/99/22/563649922.db2.gz UWUDHEASYTYRMW-KLZLZNSSSA-N 0 0 312.413 3.606 40 0 DHABRN CCOc1ccc2[nH]c(=O)c(CNc3ccc(C)cc3)cc2c1 ZINC000012493150 563651997 /nfs/dbraw/zinc/65/19/97/563651997.db2.gz NNGYJIRLKFTZCD-UHFFFAOYSA-N 0 0 308.381 3.847 40 0 DHABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(COC)c1 ZINC000175512259 563652242 /nfs/dbraw/zinc/65/22/42/563652242.db2.gz FWZFELBGIBYIGW-GOSISDBHSA-N 0 0 313.397 3.938 40 0 DHABRN COc1cccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)c1 ZINC000012566066 563652869 /nfs/dbraw/zinc/65/28/69/563652869.db2.gz NGBAXZSLFRBCSF-UHFFFAOYSA-N 0 0 308.381 3.766 40 0 DHABRN CCOc1cc(CO)c(Cl)cc1OCc1ccccc1F ZINC000095095056 563652945 /nfs/dbraw/zinc/65/29/45/563652945.db2.gz NFKVPDJQOBCUQO-UHFFFAOYSA-N 0 0 310.752 3.949 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1C ZINC000113960066 563658196 /nfs/dbraw/zinc/65/81/96/563658196.db2.gz WKJOXELSBTUCDB-GFCCVEGCSA-N 0 0 305.324 3.988 40 0 DHABRN Cc1ccc2[nH]c(=O)c(CNc3cc(Cl)ccc3O)cc2c1 ZINC000013561625 563660114 /nfs/dbraw/zinc/66/01/14/563660114.db2.gz BBBKVJSAMIIKEO-UHFFFAOYSA-N 0 0 314.772 3.808 40 0 DHABRN CCCc1cc(=O)n2c3ccccc3nc2n1Cc1ccccc1 ZINC000014165362 563665826 /nfs/dbraw/zinc/66/58/26/563665826.db2.gz BSKOQYWHFIQWBW-UHFFFAOYSA-N 0 0 317.392 3.650 40 0 DHABRN COC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 ZINC000207763708 563699783 /nfs/dbraw/zinc/69/97/83/563699783.db2.gz XSUBURYRTSEVRZ-UHFFFAOYSA-N 0 0 311.381 3.661 40 0 DHABRN Cc1nc2cc(C)ccn2c1-c1nnc(-c2cccc(C)c2)o1 ZINC000216602572 563710341 /nfs/dbraw/zinc/71/03/41/563710341.db2.gz HRLBQEFXPOITFW-UHFFFAOYSA-N 0 0 304.353 3.977 40 0 DHABRN Cc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1 ZINC000222620088 563726663 /nfs/dbraw/zinc/72/66/63/563726663.db2.gz NTVJGHCHCFODAB-UHFFFAOYSA-N 0 0 307.328 3.843 40 0 DHABRN 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ZINC000224605701 563743448 /nfs/dbraw/zinc/74/34/48/563743448.db2.gz RHCGBEKDYBKPQJ-UHFFFAOYSA-N 0 0 313.397 3.688 40 0 DHABRN Cc1ccc(CC(=O)NCCOc2ccccc2Cl)c(C)c1 ZINC000224725751 563744329 /nfs/dbraw/zinc/74/43/29/563744329.db2.gz GTJRGSAIGKGUBK-UHFFFAOYSA-N 0 0 317.816 3.695 40 0 DHABRN CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 ZINC000224906489 563744995 /nfs/dbraw/zinc/74/49/95/563744995.db2.gz OQUUHVSRAWMIOF-UHFFFAOYSA-N 0 0 307.390 3.658 40 0 DHABRN Cc1ccc(CNC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000225086913 563748358 /nfs/dbraw/zinc/74/83/58/563748358.db2.gz CDRZEKUSEOHIMS-UHFFFAOYSA-N 0 0 309.409 3.569 40 0 DHABRN C[NH+](C)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225150962 563749738 /nfs/dbraw/zinc/74/97/38/563749738.db2.gz VZHIZYAXNANWDB-OAHLLOKOSA-N 0 0 319.788 3.690 40 0 DHABRN COc1ccc(CCC(=O)NC[C@H](C)c2ccccc2)cc1C ZINC000225135339 563749851 /nfs/dbraw/zinc/74/98/51/563749851.db2.gz YMSBLYAWRXZLJZ-INIZCTEOSA-N 0 0 311.425 3.856 40 0 DHABRN C[NH+](C)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225150921 563749875 /nfs/dbraw/zinc/74/98/75/563749875.db2.gz VZHIZYAXNANWDB-HNNXBMFYSA-N 0 0 319.788 3.690 40 0 DHABRN CC[C@@H](NC(=O)COc1ccccc1)c1ccc(OC)c(C)c1 ZINC000225254774 563750948 /nfs/dbraw/zinc/75/09/48/563750948.db2.gz UHZVMKGGKPOWKR-QGZVFWFLSA-N 0 0 313.397 3.650 40 0 DHABRN Cc1ccc2[nH]c(-c3ccc(C(=O)N4CCCC4)cc3)nc2c1 ZINC000225263220 563751001 /nfs/dbraw/zinc/75/10/01/563751001.db2.gz JAJDJKWYXZQVNM-UHFFFAOYSA-N 0 0 305.381 3.774 40 0 DHABRN COc1ccc([C@H](O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 ZINC000225356609 563752674 /nfs/dbraw/zinc/75/26/74/563752674.db2.gz FXXPDTVGZAPIQQ-SFHVURJKSA-N 0 0 314.381 3.574 40 0 DHABRN CC(C)CCNC(=S)Nc1ccc(Br)cc1F ZINC000225380184 563753395 /nfs/dbraw/zinc/75/33/95/563753395.db2.gz DWAIHLOLRZYUQG-UHFFFAOYSA-N 0 0 319.243 3.921 40 0 DHABRN COc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1F ZINC000225392580 563753907 /nfs/dbraw/zinc/75/39/07/563753907.db2.gz LIKIZDQTCFYCED-UHFFFAOYSA-N 0 0 321.779 3.850 40 0 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CC(C)Oc1ccc(CCCNC(=O)Cc2cccs2)cc1 ZINC000225542587 563758215 /nfs/dbraw/zinc/75/82/15/563758215.db2.gz SSDZDASAKYKCQV-UHFFFAOYSA-N 0 0 317.454 3.827 40 0 DHABRN COc1ccc(CCCNC(=S)Nc2cccc(F)c2)cc1 ZINC000225556495 563758661 /nfs/dbraw/zinc/75/86/61/563758661.db2.gz XJSBFSBLCMUBBW-UHFFFAOYSA-N 0 0 318.417 3.754 40 0 DHABRN COc1ccc(CCC(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000225724240 563761143 /nfs/dbraw/zinc/76/11/43/563761143.db2.gz JEQKTKCQDIIYIK-OAHLLOKOSA-N 0 0 309.409 3.914 40 0 DHABRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(C)cc2C)cc1 ZINC000225734959 563761883 /nfs/dbraw/zinc/76/18/83/563761883.db2.gz GXKPWRHFZIFXSL-HNNXBMFYSA-N 0 0 313.397 3.509 40 0 DHABRN CCOc1ccc(CCCNC(=O)NC2CCCCC2)cc1 ZINC000225756843 563762507 /nfs/dbraw/zinc/76/25/07/563762507.db2.gz BPYNBWHFNUNTMZ-UHFFFAOYSA-N 0 0 304.434 3.650 40 0 DHABRN Cc1ccc(CNC(=O)c2snnc2-c2cccs2)cc1 ZINC000225787117 563763392 /nfs/dbraw/zinc/76/33/92/563763392.db2.gz ZUJWDIBJIHKYNJ-UHFFFAOYSA-N 0 0 315.423 3.505 40 0 DHABRN CCSc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000030755542 563764025 /nfs/dbraw/zinc/76/40/25/563764025.db2.gz IMNLZZRFRCWUMG-UHFFFAOYSA-N 0 0 311.403 3.739 40 0 DHABRN CC(C)(C)NC(=O)CCc1nc(-c2cccc3ccccc32)no1 ZINC000225827010 563764052 /nfs/dbraw/zinc/76/40/52/563764052.db2.gz PCPFMGJNMMZSFB-UHFFFAOYSA-N 0 0 323.396 3.737 40 0 DHABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000225855341 563764822 /nfs/dbraw/zinc/76/48/22/563764822.db2.gz XNCBYRNEPISGLG-JTQLQIEISA-N 0 0 307.752 3.979 40 0 DHABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCC[C@H](C)C1 ZINC000225855803 563765363 /nfs/dbraw/zinc/76/53/63/563765363.db2.gz BSSFHXIWHZBOMI-LSDHHAIUSA-N 0 0 301.430 3.591 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)c(C)n1 ZINC000225884185 563766019 /nfs/dbraw/zinc/76/60/19/563766019.db2.gz WRQDAFLNZVYZCY-KRWDZBQOSA-N 0 0 308.422 3.713 40 0 DHABRN COC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 ZINC000225881829 563766054 /nfs/dbraw/zinc/76/60/54/563766054.db2.gz JMHZXBGAZZIJPY-UHFFFAOYSA-N 0 0 316.401 3.633 40 0 DHABRN 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DHABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000015967157 182027388 /nfs/dbraw/zinc/02/73/88/182027388.db2.gz ARGLWOOAHRRULE-CQSZACIVSA-N 0 0 313.397 3.514 40 0 DHABRN COc1ccc(-c2nc(-c3ccccc3)c(C)n2O)c(OC)c1 ZINC000016264967 182038877 /nfs/dbraw/zinc/03/88/77/182038877.db2.gz XDXRJFQBDCSPIQ-UHFFFAOYSA-N 0 0 310.353 3.780 40 0 DHABRN CC1(C)CC(=O)CC(C)(C)C1NC(=S)Nc1ccccc1 ZINC000016577706 182049874 /nfs/dbraw/zinc/04/98/74/182049874.db2.gz BERRPWJSGSGKGJ-UHFFFAOYSA-N 0 0 304.459 3.757 40 0 DHABRN CC(C)[C@H]1CC[C@](C)(C(=O)OCc2ccc3c(c2)OCO3)C1 ZINC000016892683 182062293 /nfs/dbraw/zinc/06/22/93/182062293.db2.gz SORXWZCCEBTRKW-KSSFIOAISA-N 0 0 304.386 3.921 40 0 DHABRN Cc1ccc(C)c(NC(=S)NCCc2ccc(O)cc2)c1 ZINC000017025142 182068443 /nfs/dbraw/zinc/06/84/43/182068443.db2.gz AERRXIKBYLDOBN-UHFFFAOYSA-N 0 0 300.427 3.538 40 0 DHABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccccc1 ZINC000017056048 182073533 /nfs/dbraw/zinc/07/35/33/182073533.db2.gz QZXLGGBNYCRKRN-UHFFFAOYSA-N 0 0 322.389 3.672 40 0 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CCOC(=O)c1ccc(NC(=O)Oc2ccccc2F)cc1 ZINC000001753046 563295320 /nfs/dbraw/zinc/29/53/20/563295320.db2.gz FKPIRSMYQUDUID-UHFFFAOYSA-N 0 0 303.289 3.613 40 0 DHABRN CC1=C[C@H](Cc2ccccc2)NN=C2C=Cc3ccccc3N21 ZINC000005261096 563329220 /nfs/dbraw/zinc/32/92/20/563329220.db2.gz GEZPTRPWWTWZRY-GOSISDBHSA-N 0 0 301.393 3.952 40 0 DHABRN Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1C ZINC000007070488 563336439 /nfs/dbraw/zinc/33/64/39/563336439.db2.gz QAWIPDMJWLZSOG-UHFFFAOYSA-N 0 0 305.381 3.801 40 0 DHABRN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000007263843 563337221 /nfs/dbraw/zinc/33/72/21/563337221.db2.gz BHHSJCCWEYOZKQ-UHFFFAOYSA-N 0 0 313.250 3.862 40 0 DHABRN CC[C@H](NC(=O)COc1ccccc1OC)c1ccc(C)cc1 ZINC000007792588 563342785 /nfs/dbraw/zinc/34/27/85/563342785.db2.gz SAAAFZZBSCEBGE-INIZCTEOSA-N 0 0 313.397 3.650 40 0 DHABRN C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000007909189 563343071 /nfs/dbraw/zinc/34/30/71/563343071.db2.gz KJUZGUMUYUWTCV-CQSZACIVSA-N 0 0 321.380 3.547 40 0 DHABRN CSc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000007940667 563343457 /nfs/dbraw/zinc/34/34/57/563343457.db2.gz YFOFMUUZALEXHD-UHFFFAOYSA-N 0 0 309.394 3.847 40 0 DHABRN CCc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000008076053 563344159 /nfs/dbraw/zinc/34/41/59/563344159.db2.gz DWXZHTSSYGEBMS-UHFFFAOYSA-N 0 0 308.381 3.628 40 0 DHABRN CC(C)CCNC(=S)Nc1cccc(Br)c1 ZINC000008104374 563344664 /nfs/dbraw/zinc/34/46/64/563344664.db2.gz ISPRHRGEZJPFBQ-UHFFFAOYSA-N 0 0 301.253 3.782 40 0 DHABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c[nH]nc12 ZINC000008615304 563348009 /nfs/dbraw/zinc/34/80/09/563348009.db2.gz NLDGHLGLNVFXFH-TUIIKVOISA-N 0 0 312.457 3.747 40 0 DHABRN CC[C@]1(c2ccc(Cl)cc2)NC(=S)N(CCC(C)C)N1 ZINC000009189226 563352435 /nfs/dbraw/zinc/35/24/35/563352435.db2.gz VESYJMSGLPRNOK-HNNXBMFYSA-N 0 0 311.882 3.644 40 0 DHABRN C[C@@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000036370683 563354441 /nfs/dbraw/zinc/35/44/41/563354441.db2.gz SLGYIGUMKJYZLP-LHKICJQLSA-N 0 0 318.457 3.528 40 0 DHABRN Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000010448344 563356547 /nfs/dbraw/zinc/35/65/47/563356547.db2.gz XVVWMGCJLPIPIK-CYBMUJFWSA-N 0 0 303.789 3.732 40 0 DHABRN CC(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000010744413 563358441 /nfs/dbraw/zinc/35/84/41/563358441.db2.gz ZFWNTJVJGOYXGH-UHFFFAOYSA-N 0 0 316.788 3.870 40 0 DHABRN C[C@H]1Cc2cc(-c3cn4ccccc4n3)ccc2N1C(=O)C1CC1 ZINC000012088193 563361551 /nfs/dbraw/zinc/36/15/51/563361551.db2.gz VFYDEMAZPLLCST-ZDUSSCGKSA-N 0 0 317.392 3.689 40 0 DHABRN CCn1c(CN2CCn3cccc3[C@H]2C(C)C)cnc1SC ZINC000012143739 563362380 /nfs/dbraw/zinc/36/23/80/563362380.db2.gz KJTSMMFBLHWJJJ-MRXNPFEDSA-N 0 0 318.490 3.639 40 0 DHABRN Cc1cccn2cc(-c3ccc4c(c3)CCN4C(=O)C(C)C)nc12 ZINC000012143582 563362428 /nfs/dbraw/zinc/36/24/28/563362428.db2.gz CTBWWTFIYUUYAL-UHFFFAOYSA-N 0 0 319.408 3.855 40 0 DHABRN CC[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1ccc(F)cc1 ZINC000012147321 563363073 /nfs/dbraw/zinc/36/30/73/563363073.db2.gz CCCJMUMHXVPJGK-HNNXBMFYSA-N 0 0 315.392 3.699 40 0 DHABRN Cc1cc(-c2cnc(NC(C)C)nc2-c2cccs2)on1 ZINC000012154281 563363383 /nfs/dbraw/zinc/36/33/83/563363383.db2.gz JKPMQBMDTCSRMZ-UHFFFAOYSA-N 0 0 300.387 3.989 40 0 DHABRN O=C(c1cscn1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181052 563363827 /nfs/dbraw/zinc/36/38/27/563363827.db2.gz YGJXXOKCXKOVOJ-LQDVMPOASA-N 0 0 316.401 3.833 40 0 DHABRN C[C@@H]1CCCN(C(=O)CCn2c(C(F)F)cc3cccnc32)C1 ZINC000012187266 563363865 /nfs/dbraw/zinc/36/38/65/563363865.db2.gz HIYISJMNJLQQOT-GFCCVEGCSA-N 0 0 321.371 3.623 40 0 DHABRN Cc1cc(-c2cnc(N3CCCCC3)nc2-c2ccc(C)o2)on1 ZINC000012185995 563363891 /nfs/dbraw/zinc/36/38/91/563363891.db2.gz QTMYVGVIZOZCTP-UHFFFAOYSA-N 0 0 324.384 3.999 40 0 DHABRN CCc1[nH]c2ccc(C(=O)NCCC[C@H]3CCOC3)cc2c1C ZINC000012204052 563364961 /nfs/dbraw/zinc/36/49/61/563364961.db2.gz KZVRCPWURUZFCK-AWEZNQCLSA-N 0 0 314.429 3.585 40 0 DHABRN COc1cccc(C(=O)N2CCC[C@H]2c2cc3cccnc3[nH]2)c1 ZINC000012236410 563365542 /nfs/dbraw/zinc/36/55/42/563365542.db2.gz LPSKFBJKQFNIDP-KRWDZBQOSA-N 0 0 321.380 3.549 40 0 DHABRN COc1ccc([C@H]2OC[C@@]3(CO)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 ZINC000013576528 563383536 /nfs/dbraw/zinc/38/35/36/563383536.db2.gz RJYHUHMMBLCXKJ-JCTKKGROSA-N 0 0 302.414 3.594 40 0 DHABRN O=C(NCCCN1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000013647521 563384559 /nfs/dbraw/zinc/38/45/59/563384559.db2.gz TZTXCVWQDCQZRX-UHFFFAOYSA-N 0 0 314.816 3.523 40 0 DHABRN COc1cccc(CCCNC(=O)c2cccc(Cl)c2)c1 ZINC000013670958 563384932 /nfs/dbraw/zinc/38/49/32/563384932.db2.gz QIDXNPUCXIGRFT-UHFFFAOYSA-N 0 0 303.789 3.711 40 0 DHABRN Cc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000013709718 563386894 /nfs/dbraw/zinc/38/68/94/563386894.db2.gz RAJBSDOUSUTPKK-CYBMUJFWSA-N 0 0 303.789 3.732 40 0 DHABRN COc1ccc([C@H](C)NC(=S)Nc2cccc(OC)c2)cc1 ZINC000013932641 563392717 /nfs/dbraw/zinc/39/27/17/563392717.db2.gz OOPYZOBQCQZAQA-LBPRGKRZSA-N 0 0 316.426 3.751 40 0 DHABRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 ZINC000014219319 563398487 /nfs/dbraw/zinc/39/84/87/563398487.db2.gz MUZCGCRPJTWFHK-HNNXBMFYSA-N 0 0 303.427 3.651 40 0 DHABRN COc1ccccc1/C=C/C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000014910591 563404159 /nfs/dbraw/zinc/40/41/59/563404159.db2.gz JOUMEDRDCVVSET-MDWZMJQESA-N 0 0 322.408 3.947 40 0 DHABRN N=C1S[C@@H](c2cccc(F)c2)CC(=O)N1c1ccccc1 ZINC000012374368 563422708 /nfs/dbraw/zinc/42/27/08/563422708.db2.gz ZRMHTIIYLRXCER-CQSZACIVSA-N 0 0 300.358 3.972 40 0 DHABRN CC(C)c1ccccc1OCCn1c(CO)nc2ccccc21 ZINC000026474389 563426166 /nfs/dbraw/zinc/42/61/66/563426166.db2.gz FFTSISZAXJDLFB-UHFFFAOYSA-N 0 0 310.397 3.731 40 0 DHABRN CCOc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1 ZINC000027122013 563427417 /nfs/dbraw/zinc/42/74/17/563427417.db2.gz OITOBZKYNKFKHD-HNNXBMFYSA-N 0 0 313.397 3.650 40 0 DHABRN O=C(CNc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000030284563 563436915 /nfs/dbraw/zinc/43/69/15/563436915.db2.gz FMPQPUHQAQKBMC-UHFFFAOYSA-N 0 0 312.266 3.895 40 0 DHABRN Cc1ccccc1O[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000030751420 563438137 /nfs/dbraw/zinc/43/81/37/563438137.db2.gz GNNDYRQFKWXLCN-CRAIPNDOSA-N 0 0 309.409 3.956 40 0 DHABRN Cc1ccc([C@H](C)NC(=O)COc2ccccc2Cl)cc1 ZINC000030848435 563439028 /nfs/dbraw/zinc/43/90/28/563439028.db2.gz HHNGJKFBMQOXFR-ZDUSSCGKSA-N 0 0 303.789 3.905 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSC(C)(C)C ZINC000030866563 563439362 /nfs/dbraw/zinc/43/93/62/563439362.db2.gz KNTDHYYVDJZLBQ-AWEZNQCLSA-N 0 0 313.438 3.631 40 0 DHABRN COC(=O)c1cc(NC(=O)c2ccc(C)cc2C)ccc1Cl ZINC000031055187 563439917 /nfs/dbraw/zinc/43/99/17/563439917.db2.gz BJTQKZIBJYEGPP-UHFFFAOYSA-N 0 0 317.772 3.996 40 0 DHABRN Cc1cccc(N[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000036635511 563456499 /nfs/dbraw/zinc/45/64/99/563456499.db2.gz NXPWBMLRGFMEKW-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000044818643 563462305 /nfs/dbraw/zinc/46/23/05/563462305.db2.gz JKBWGMDEHDOGSM-AWEZNQCLSA-N 0 0 315.438 3.834 40 0 DHABRN COc1cccc(NC(=O)NCc2cccc(OC(C)C)c2)c1 ZINC000047321768 563466190 /nfs/dbraw/zinc/46/61/90/563466190.db2.gz YDIVVFMRBLCOIG-UHFFFAOYSA-N 0 0 314.385 3.804 40 0 DHABRN CC(C)Oc1ccc(NC(=O)COc2ccccc2F)cc1 ZINC000049226701 563467748 /nfs/dbraw/zinc/46/77/48/563467748.db2.gz RDHQAIXVZCEXJP-UHFFFAOYSA-N 0 0 303.333 3.630 40 0 DHABRN COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 ZINC000053387782 563469768 /nfs/dbraw/zinc/46/97/68/563469768.db2.gz IQILZYDMIWVWOO-AWEZNQCLSA-N 0 0 309.409 3.604 40 0 DHABRN CCOc1ccccc1CNC(=S)Nc1ccccc1F ZINC000053521436 563469987 /nfs/dbraw/zinc/46/99/87/563469987.db2.gz PVWSKNKLYSBVJD-UHFFFAOYSA-N 0 0 304.390 3.711 40 0 DHABRN COc1ccc(CCCNC(=O)Cc2cccc(Cl)c2)cc1 ZINC000067818226 563491367 /nfs/dbraw/zinc/49/13/67/563491367.db2.gz LAVWZKUAOUFOCJ-UHFFFAOYSA-N 0 0 317.816 3.640 40 0 DHABRN Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000068960424 563495655 /nfs/dbraw/zinc/49/56/55/563495655.db2.gz WKGGYQWMLYZYRC-CQSZACIVSA-N 0 0 317.816 3.775 40 0 DHABRN Cc1cn2c(n1)Cc1ccc(Cl)cc1C(c1ccc(N)cc1)=N2 ZINC000000007536 563497266 /nfs/dbraw/zinc/49/72/66/563497266.db2.gz FPXVCCSOTAQPIV-UHFFFAOYSA-N 0 0 322.799 3.632 40 0 in-vivo DHABRN O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(Cl)nn1 ZINC000015021727 563504410 /nfs/dbraw/zinc/50/44/10/563504410.db2.gz YUGWLPWVAXTKRX-CQSZACIVSA-N 0 0 317.776 3.604 40 0 DHABRN NN(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000034627176 563512271 /nfs/dbraw/zinc/51/22/71/563512271.db2.gz OXKDWQFRUXJWPS-UHFFFAOYSA-N 0 0 311.610 3.983 40 0 DHABRN Cc1ccnc(NCc2cccc(I)c2)c1 ZINC000199714389 563516153 /nfs/dbraw/zinc/51/61/53/563516153.db2.gz JYCBKLDCLMXOFD-UHFFFAOYSA-N 0 0 324.165 3.607 40 0 DHABRN Nc1ccccc1-c1nc(-c2cccc(OC(F)F)c2)no1 ZINC000089262371 563524112 /nfs/dbraw/zinc/52/41/12/563524112.db2.gz XCGMORMLVFFUKV-UHFFFAOYSA-N 0 0 303.268 3.587 40 0 DHABRN CCc1nc(N)sc1-c1nc(-c2ccc(C)c(C)c2)no1 ZINC000089263126 563524272 /nfs/dbraw/zinc/52/42/72/563524272.db2.gz PEIPXQUKBCMNLX-UHFFFAOYSA-N 0 0 300.387 3.622 40 0 DHABRN Fc1ccccc1N1CCC2(C[C@@H](c3cccnc3)CO2)CC1 ZINC000096220311 563535254 /nfs/dbraw/zinc/53/52/54/563535254.db2.gz UANMSQMXOHJKQK-MRXNPFEDSA-N 0 0 312.388 3.764 40 0 DHABRN Cc1cccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1C ZINC000096248384 563536388 /nfs/dbraw/zinc/53/63/88/563536388.db2.gz HALUACHOSLWPER-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN CCc1ccc(N2C(=O)C[C@H](Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000096248385 563536433 /nfs/dbraw/zinc/53/64/33/563536433.db2.gz GMODJMZZRWEBPO-SFHVURJKSA-N 0 0 322.408 3.610 40 0 DHABRN CC1(C)CC[C@H]2C[N@H+](Cc3cccc(C(=O)[O-])c3)CC[C@@]2(C)O1 ZINC000585286399 563542612 /nfs/dbraw/zinc/54/26/12/563542612.db2.gz QOWSLDWDPWSSSE-QFBILLFUSA-N 0 0 317.429 3.554 40 0 DHABRN Cc1ccsc1CN(Cc1ccc(F)cc1F)C[C@H](C)O ZINC000013991530 563547021 /nfs/dbraw/zinc/54/70/21/563547021.db2.gz PWAQZDYLJWOMTN-LBPRGKRZSA-N 0 0 311.397 3.718 40 0 DHABRN Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1C ZINC000101275276 563557085 /nfs/dbraw/zinc/55/70/85/563557085.db2.gz 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COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1OC ZINC000016484110 182047155 /nfs/dbraw/zinc/04/71/55/182047155.db2.gz DXXHKDHDTKYAID-UHFFFAOYSA-N 0 0 317.410 3.743 40 0 DHABRN O=c1cc(-c2ccc(Cl)cc2Cl)nc2n1CCCCC2 ZINC000016769168 182060156 /nfs/dbraw/zinc/06/01/56/182060156.db2.gz UQXFJYGSVRQPSG-UHFFFAOYSA-N 0 0 309.196 3.944 40 0 DHABRN Cc1cc(C)cc(OC(=O)/C=C\C(=O)Oc2cc(C)cc(C)c2)c1 ZINC000016978797 182067382 /nfs/dbraw/zinc/06/73/82/182067382.db2.gz NYIVWHPQBIBSKZ-WAYWQWQTSA-N 0 0 324.376 3.987 40 0 DHABRN Cc1cccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c1C ZINC000017155545 182077939 /nfs/dbraw/zinc/07/79/39/182077939.db2.gz FZIZLOFTTHNRES-INIZCTEOSA-N 0 0 311.425 3.820 40 0 DHABRN COc1cccc(CNC(=S)Nc2ccccc2Cl)c1 ZINC000018141429 182094343 /nfs/dbraw/zinc/09/43/43/182094343.db2.gz NFBFCRVFFMUGJV-UHFFFAOYSA-N 0 0 306.818 3.835 40 0 DHABRN COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000018212555 182098614 /nfs/dbraw/zinc/09/86/14/182098614.db2.gz MWRYNUOPXRCBLL-HNNXBMFYSA-N 0 0 323.436 3.994 40 0 DHABRN Cc1cc(C(=O)Nc2ccc(Br)cc2)ccc1N ZINC000019260228 182112082 /nfs/dbraw/zinc/11/20/82/182112082.db2.gz PIMSEIUAYGAEDJ-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN O=C(c1cccc(F)c1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019293531 182113919 /nfs/dbraw/zinc/11/39/19/182113919.db2.gz ZRHLOPRSZPZVMR-HNNXBMFYSA-N 0 0 323.371 3.722 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000019932060 182166504 /nfs/dbraw/zinc/16/65/04/182166504.db2.gz SKANZSHMIUJOAU-ZDUSSCGKSA-N 0 0 301.411 3.839 40 0 DHABRN CCOc1ccc(CCC(=O)NC2CCCCC2)cc1OCC ZINC000020111093 182187726 /nfs/dbraw/zinc/18/77/26/182187726.db2.gz GRSHFDYVLYJAPG-UHFFFAOYSA-N 0 0 319.445 3.866 40 0 DHABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccco1 ZINC000020145237 182191604 /nfs/dbraw/zinc/19/16/04/182191604.db2.gz OCHOZMJXRNARCT-VQHVLOKHSA-N 0 0 323.348 3.992 40 0 DHABRN O=C(NCc1cccs1)c1cccnc1NC1CCCCC1 ZINC000020098068 182185773 /nfs/dbraw/zinc/18/57/73/182185773.db2.gz DOFZQQNVCNFSHZ-UHFFFAOYSA-N 0 0 315.442 3.818 40 0 DHABRN CC(=O)N1CN(CCC(C)C)Cc2c3c(sc21)CCCC3 ZINC000020192337 182196037 /nfs/dbraw/zinc/19/60/37/182196037.db2.gz BIFSBQGPFILAFU-UHFFFAOYSA-N 0 0 306.475 3.799 40 0 DHABRN Cc1c(N)cccc1C(=O)Nc1cccc(Br)c1 ZINC000020194620 182196185 /nfs/dbraw/zinc/19/61/85/182196185.db2.gz XOPPIBLUFJTSJO-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000020481083 182222622 /nfs/dbraw/zinc/22/26/22/182222622.db2.gz SCMHBHMURWMZDL-UHFFFAOYSA-N 0 0 304.242 3.849 40 0 DHABRN CCOCCCNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 ZINC000020481945 182222739 /nfs/dbraw/zinc/22/27/39/182222739.db2.gz NECLRESJGZFQEF-CQSZACIVSA-N 0 0 315.866 3.754 40 0 DHABRN Nc1ccc2nc(Cc3ccc(Br)cc3)oc2c1 ZINC000020423964 182216136 /nfs/dbraw/zinc/21/61/36/182216136.db2.gz RCFBYPYFMUVABV-UHFFFAOYSA-N 0 0 303.159 3.763 40 0 DHABRN COc1ccc(OC)c(CC(=O)Nc2cccc(SC)c2)c1 ZINC000020447863 182218147 /nfs/dbraw/zinc/21/81/47/182218147.db2.gz GFIKCJUSJUYAKV-UHFFFAOYSA-N 0 0 317.410 3.607 40 0 DHABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCc1ccccc1 ZINC000020455653 182219520 /nfs/dbraw/zinc/21/95/20/182219520.db2.gz RGSKMLHVSSGZHC-MRXNPFEDSA-N 0 0 317.816 3.856 40 0 DHABRN Cc1sc2nc(C(=O)Oc3ccc(F)cc3)cc(N)c2c1C ZINC000020459392 182220179 /nfs/dbraw/zinc/22/01/79/182220179.db2.gz MCQRNHPYLUMTGJ-UHFFFAOYSA-N 0 0 316.357 3.854 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 ZINC000020486666 182223934 /nfs/dbraw/zinc/22/39/34/182223934.db2.gz LHZJSTMJVHBDGX-QGZVFWFLSA-N 0 0 305.393 3.990 40 0 DHABRN CCc1ccccc1O[C@H](C)C(=O)NCCCc1ccccc1 ZINC000020494426 182224421 /nfs/dbraw/zinc/22/44/21/182224421.db2.gz FMVFDMJSBKGVDO-MRXNPFEDSA-N 0 0 311.425 3.765 40 0 DHABRN CCOCCCNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 ZINC000020495581 182225433 /nfs/dbraw/zinc/22/54/33/182225433.db2.gz SKULVTCYNMXFMX-GOSISDBHSA-N 0 0 315.413 3.540 40 0 DHABRN CCOc1cc(CO)ccc1OCc1ccc(F)cc1Cl ZINC000020545604 182229620 /nfs/dbraw/zinc/22/96/20/182229620.db2.gz HYKLZWMVZWTUKH-UHFFFAOYSA-N 0 0 310.752 3.949 40 0 DHABRN CCc1ccc([C@H](C)NC(=O)COc2ccc(OC)cc2)cc1 ZINC000021320078 182271569 /nfs/dbraw/zinc/27/15/69/182271569.db2.gz FJPGFTYMCSSDHB-AWEZNQCLSA-N 0 0 313.397 3.514 40 0 DHABRN CC(C)/N=c1\ccccn1C(=O)Cc1ccc2c(c1)CCCC2 ZINC000022378907 182320298 /nfs/dbraw/zinc/32/02/98/182320298.db2.gz OZAWVSOKIAQZSY-XUTLUUPISA-N 0 0 308.425 3.559 40 0 DHABRN CCc1cccc(C)c1NC(=O)c1cnc2ccccc2c1O ZINC000022233897 182314552 /nfs/dbraw/zinc/31/45/52/182314552.db2.gz NOTRQGAPPYUOGA-UHFFFAOYSA-N 0 0 306.365 3.651 40 0 DHABRN CCOc1cccc(NC(=O)CSc2ccc(OC)cc2)c1 ZINC000022517771 182324514 /nfs/dbraw/zinc/32/45/14/182324514.db2.gz ANKPYTJZCSQGGQ-UHFFFAOYSA-N 0 0 317.410 3.825 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000023530211 182363235 /nfs/dbraw/zinc/36/32/35/182363235.db2.gz HIFOIXBBFZNDJE-CABCVRRESA-N 0 0 313.397 3.648 40 0 DHABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000023530216 182363365 /nfs/dbraw/zinc/36/33/65/182363365.db2.gz NOTPDESUEFKEJY-HUUCEWRRSA-N 0 0 313.397 3.648 40 0 DHABRN C[C@@H](NC(=O)CSCc1ccccc1F)c1ccccc1 ZINC000024064854 182374591 /nfs/dbraw/zinc/37/45/91/182374591.db2.gz NDJFDHADUXXMNN-CYBMUJFWSA-N 0 0 303.402 3.936 40 0 DHABRN c1nc2nc(Nc3ccccc3)nc(N[C@H]3C[C@H]4CC[C@@H]3C4)c2[nH]1 ZINC000027645674 182484486 /nfs/dbraw/zinc/48/44/86/182484486.db2.gz SLLSODGWHDUMRG-SCRDCRAPSA-N 0 0 320.400 3.697 40 0 in-vitro DHABRN COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F ZINC000029470121 182567007 /nfs/dbraw/zinc/56/70/07/182567007.db2.gz QRXZSODADYQLED-UHFFFAOYSA-N 0 0 307.708 3.518 40 0 DHABRN Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000030750863 182596380 /nfs/dbraw/zinc/59/63/80/182596380.db2.gz JJAGONBALIMJAH-ZIAGYGMSSA-N 0 0 301.361 3.779 40 0 DHABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000030864784 182600286 /nfs/dbraw/zinc/60/02/86/182600286.db2.gz CAQJZSHITCTCEL-KRWDZBQOSA-N 0 0 311.425 3.738 40 0 DHABRN O=C(CCc1ccccc1F)Nc1ccc(N2CCCC2)cc1 ZINC000031301205 182610850 /nfs/dbraw/zinc/61/08/50/182610850.db2.gz IFSFBVDBNVSCRQ-UHFFFAOYSA-N 0 0 312.388 3.997 40 0 DHABRN COc1cc(C=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000035206176 182761478 /nfs/dbraw/zinc/76/14/78/182761478.db2.gz UEYFYBZDCLXCTN-UHFFFAOYSA-N 0 0 306.745 3.749 40 0 DHABRN CC[C@H](NS(=O)(=O)Cc1ccccc1C)c1ccccc1 ZINC000038753788 183008744 /nfs/dbraw/zinc/00/87/44/183008744.db2.gz BDQUPWRNFZQQTO-KRWDZBQOSA-N 0 0 303.427 3.566 40 0 DHABRN CCc1nnc(NC(=O)c2oc3ccc(CC)cc3c2C)s1 ZINC000040038028 183029406 /nfs/dbraw/zinc/02/94/06/183029406.db2.gz AJIVVMNVBJYMLE-UHFFFAOYSA-N 0 0 315.398 3.970 40 0 DHABRN CC(C)(C)OC(=O)Nc1cccc([C@H](O)c2ccccc2)n1 ZINC000039957266 183025076 /nfs/dbraw/zinc/02/50/76/183025076.db2.gz REWUHOBQURLVBC-OAHLLOKOSA-N 0 0 300.358 3.510 40 0 DHABRN COc1ccc([C@@H](O)c2ccccc2Br)cc1F ZINC000040263028 183049307 /nfs/dbraw/zinc/04/93/07/183049307.db2.gz ARKACYJHKWZIPZ-CQSZACIVSA-N 0 0 311.150 3.679 40 0 DHABRN Fc1ccc(NCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000040174553 183043783 /nfs/dbraw/zinc/04/37/83/183043783.db2.gz NVLDZGMNTGVYNQ-UHFFFAOYSA-N 0 0 302.740 3.876 40 0 DHABRN COc1cccc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 ZINC000041283519 183183772 /nfs/dbraw/zinc/18/37/72/183183772.db2.gz LNZHFGSPOCXOPS-ZDUSSCGKSA-N 0 0 307.434 3.794 40 0 DHABRN COC(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000041127134 183169124 /nfs/dbraw/zinc/16/91/24/183169124.db2.gz KOQUNGVCBLAVMZ-UHFFFAOYSA-N 0 0 301.729 3.864 40 0 DHABRN CCN(CC)C(=O)Cc1cccc(-c2nc3ccccc3o2)c1 ZINC000041127625 183169644 /nfs/dbraw/zinc/16/96/44/183169644.db2.gz OEAXKYTVJYZRDT-UHFFFAOYSA-N 0 0 308.381 3.906 40 0 DHABRN NC(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000041127605 183169851 /nfs/dbraw/zinc/16/98/51/183169851.db2.gz QAHGWDCLISZZFF-UHFFFAOYSA-N 0 0 321.163 3.829 40 0 DHABRN Cc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000041813608 183221495 /nfs/dbraw/zinc/22/14/95/183221495.db2.gz NWJOMLSJAHGFBC-KRWDZBQOSA-N 0 0 323.436 3.921 40 0 DHABRN CC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000105365088 194100427 /nfs/dbraw/zinc/10/04/27/194100427.db2.gz LANFJOBBEPUSIU-MCRSOVSTSA-N 0 0 315.413 3.551 40 0 DHABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCCC1 ZINC000054562983 183944977 /nfs/dbraw/zinc/94/49/77/183944977.db2.gz JJNGALOUKHCZPA-UHFFFAOYSA-N 0 0 304.777 3.550 40 0 DHABRN C[C@H]1CCCCN1C(=O)/C=C/c1cccc(Br)c1 ZINC000059843240 184141502 /nfs/dbraw/zinc/14/15/02/184141502.db2.gz KUBVKBHLTYWJLO-BCPZQOPPSA-N 0 0 308.219 3.863 40 0 DHABRN O=C(CCc1ccc(F)cc1)NCCSc1ccccc1 ZINC000061083176 184161343 /nfs/dbraw/zinc/16/13/43/184161343.db2.gz VICWYUIUXQJAEI-UHFFFAOYSA-N 0 0 303.402 3.667 40 0 DHABRN O=C(CCc1ccc(F)cc1)NCCCOC1CCCCC1 ZINC000061547227 184173988 /nfs/dbraw/zinc/17/39/88/184173988.db2.gz QFJMZFGMKACNTB-UHFFFAOYSA-N 0 0 307.409 3.614 40 0 DHABRN C[C@@H](NC(=O)COc1cccc2cccnc21)c1ccc(F)cc1 ZINC000061576476 184174933 /nfs/dbraw/zinc/17/49/33/184174933.db2.gz AIILZUHZSFLZLJ-CYBMUJFWSA-N 0 0 324.355 3.630 40 0 DHABRN CC(C)(C)c1nnc(CCNc2cccc(Br)c2)[nH]1 ZINC000062719158 184250784 /nfs/dbraw/zinc/25/07/84/184250784.db2.gz JAWWTEZQZITOLD-UHFFFAOYSA-N 0 0 323.238 3.519 40 0 DHABRN Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000113948561 194622558 /nfs/dbraw/zinc/62/25/58/194622558.db2.gz QIOJJCXDPCMINK-KBPBESRZSA-N 0 0 301.361 3.779 40 0 DHABRN CC(=O)c1ccc(NC(=S)Nc2ccc3nccnc3c2)cc1 ZINC000000445085 256512306 /nfs/dbraw/zinc/51/23/06/256512306.db2.gz KRRURJHRKCZCJW-UHFFFAOYSA-N 0 0 322.393 3.641 40 0 DHABRN CCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000014258036 256526203 /nfs/dbraw/zinc/52/62/03/256526203.db2.gz ZZYVHCSNKBCDTL-UHFFFAOYSA-N 0 0 306.387 3.566 40 0 DHABRN C[C@@H]1CC[C@@H]1COc1cccc(I)c1 ZINC000242648747 257120246 /nfs/dbraw/zinc/12/02/46/257120246.db2.gz RFVHRHWKAUGMAG-NXEZZACHSA-N 0 0 302.155 3.716 40 0 DHABRN Cc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227490 257122285 /nfs/dbraw/zinc/12/22/85/257122285.db2.gz NLNQEDWLVOPSES-LSDHHAIUSA-N 0 0 321.207 3.717 40 0 DHABRN Cc1cc(=S)[nH]cc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072218304 257124052 /nfs/dbraw/zinc/12/40/52/257124052.db2.gz DLPNNCSCOVPNLW-UHFFFAOYSA-N 0 0 310.419 3.540 40 0 DHABRN CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216676 257125650 /nfs/dbraw/zinc/12/56/50/257125650.db2.gz RVWVUXUWPOLEOI-QGZVFWFLSA-N 0 0 301.434 3.536 40 0 DHABRN COc1ncc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1C ZINC000072217749 257125678 /nfs/dbraw/zinc/12/56/78/257125678.db2.gz SXTGJOQWTCXXKK-AWEZNQCLSA-N 0 0 306.406 3.861 40 0 DHABRN CC(C)(C)OC(=O)N(c1ncccc1C1=NCCCC1)C1CC1 ZINC000072215393 257125864 /nfs/dbraw/zinc/12/58/64/257125864.db2.gz UHZWEYHYAOMYAB-UHFFFAOYSA-N 0 0 315.417 3.959 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213775 257126179 /nfs/dbraw/zinc/12/61/79/257126179.db2.gz HRZDQWLEYXZRTR-CQSZACIVSA-N 0 0 303.406 3.728 40 0 DHABRN CC(=O)N1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212990 257126866 /nfs/dbraw/zinc/12/68/66/257126866.db2.gz GRUINCSPJZAZSC-KRWDZBQOSA-N 0 0 303.450 3.778 40 0 DHABRN CN(C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072212624 257126942 /nfs/dbraw/zinc/12/69/42/257126942.db2.gz CBHZBXPXYAJSDZ-CQSZACIVSA-N 0 0 305.422 3.610 40 0 DHABRN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1Cl ZINC000072211537 257127573 /nfs/dbraw/zinc/12/75/73/257127573.db2.gz GRQTWBRFUKGVCT-UHFFFAOYSA-N 0 0 312.797 3.613 40 0 DHABRN Nc1ccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000064874552 257129079 /nfs/dbraw/zinc/12/90/79/257129079.db2.gz HMLOVDJKTVXFNL-UHFFFAOYSA-N 0 0 304.275 3.740 40 0 DHABRN CCOc1cccc(CO)c1OCc1c(F)cccc1Cl ZINC000049345557 257129242 /nfs/dbraw/zinc/12/92/42/257129242.db2.gz MNHIEPYPTRBTJI-UHFFFAOYSA-N 0 0 310.752 3.949 40 0 DHABRN CCc1nccn1CCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000010313805 257218033 /nfs/dbraw/zinc/21/80/33/257218033.db2.gz RIXLTUZEOVENPU-UHFFFAOYSA-N 0 0 313.445 3.563 40 0 DHABRN COc1c(F)c(F)c(C(=O)Nc2cccc(C)c2)c(F)c1F ZINC000009141456 257218041 /nfs/dbraw/zinc/21/80/41/257218041.db2.gz WVNGDJWEKXZIOL-UHFFFAOYSA-N 0 0 313.250 3.812 40 0 DHABRN O=C(NCCCN1CCc2ccccc21)c1cccc(Cl)c1 ZINC000010113723 257218166 /nfs/dbraw/zinc/21/81/66/257218166.db2.gz SAIKPTBVYQGWIP-UHFFFAOYSA-N 0 0 314.816 3.523 40 0 DHABRN COc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000005540680 257218872 /nfs/dbraw/zinc/21/88/72/257218872.db2.gz WNVIIJRHOATNJY-UHFFFAOYSA-N 0 0 305.761 3.675 40 0 DHABRN Fc1ccccc1OCc1nc(SCc2ccccc2)n[nH]1 ZINC000409384881 257219993 /nfs/dbraw/zinc/21/99/93/257219993.db2.gz GUEJUKMXAFUAOF-UHFFFAOYSA-N 0 0 315.373 3.815 40 0 DHABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1F ZINC000409372293 257220003 /nfs/dbraw/zinc/22/00/03/257220003.db2.gz YMTBLMOTDKHHSS-AWEZNQCLSA-N 0 0 318.373 3.594 40 0 DHABRN CCOC(=O)c1ccc(COC(=O)c2ccccc2Cl)cc1 ZINC000409207474 257220929 /nfs/dbraw/zinc/22/09/29/257220929.db2.gz UQNDDIRRHQWBGT-UHFFFAOYSA-N 0 0 318.756 3.874 40 0 DHABRN CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1F ZINC000409178131 257221177 /nfs/dbraw/zinc/22/11/77/257221177.db2.gz IVWZVIMYXINDLW-UHFFFAOYSA-N 0 0 318.373 3.515 40 0 DHABRN CN(C)c1ccc(NC(=S)Nc2ccc3conc3c2)cc1 ZINC000409192791 257221241 /nfs/dbraw/zinc/22/12/41/257221241.db2.gz BEHFHYFSQLTLAC-UHFFFAOYSA-N 0 0 312.398 3.703 40 0 DHABRN O=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1 ZINC000409149868 257222045 /nfs/dbraw/zinc/22/20/45/257222045.db2.gz TVOHBMKWQPLQJR-HNNXBMFYSA-N 0 0 315.369 3.632 40 0 DHABRN COc1cc(OC)c(/C=C2\C(=O)Nc3ccccc32)cc1Cl ZINC000409127029 257222567 /nfs/dbraw/zinc/22/25/67/257222567.db2.gz CQGKFFZPEKHUCZ-GHXNOFRVSA-N 0 0 315.756 3.850 40 0 DHABRN CC(C)Cn1c(Sc2ccccn2)nnc1-c1ccncc1 ZINC000409100982 257222778 /nfs/dbraw/zinc/22/27/78/257222778.db2.gz ODNAJOZJCDEUQH-UHFFFAOYSA-N 0 0 311.414 3.542 40 0 DHABRN Cn1c(Sc2ccccn2)nnc1-c1ccc(Cl)cc1 ZINC000409100290 257223133 /nfs/dbraw/zinc/22/31/33/257223133.db2.gz UXSDUWSDIWIQBO-UHFFFAOYSA-N 0 0 302.790 3.682 40 0 DHABRN CCN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O ZINC000409064928 257223498 /nfs/dbraw/zinc/22/34/98/257223498.db2.gz JGGUUVHFFHRQGU-GXDHUFHOSA-N 0 0 316.357 3.673 40 0 DHABRN CCN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O ZINC000409074199 257223576 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ZINC000007790382 563342505 /nfs/dbraw/zinc/34/25/05/563342505.db2.gz YEVJNOHOBRSKBS-CYBMUJFWSA-N 0 0 307.459 3.872 40 0 DHABRN Cc1ccccc1CNC(=O)COc1cccc2ccccc21 ZINC000007892343 563343327 /nfs/dbraw/zinc/34/33/27/563343327.db2.gz FDPCNQGZEQDVJJ-UHFFFAOYSA-N 0 0 305.377 3.843 40 0 DHABRN COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccccc2)c1 ZINC000008062590 563344117 /nfs/dbraw/zinc/34/41/17/563344117.db2.gz OFVDPLOIUVZGJY-TZIYXEQSSA-N 0 0 311.381 3.594 40 0 DHABRN CCC(CC)NC(=S)Nc1cccc(Br)c1 ZINC000008104674 563344447 /nfs/dbraw/zinc/34/44/47/563344447.db2.gz FLYUBIYWCRGCJE-UHFFFAOYSA-N 0 0 301.253 3.924 40 0 DHABRN COc1ccccc1OCCNC(=O)Nc1ccccc1Cl ZINC000009873970 563354903 /nfs/dbraw/zinc/35/49/03/563354903.db2.gz KOTKMWBUJUITKR-UHFFFAOYSA-N 0 0 320.776 3.549 40 0 DHABRN Cc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 ZINC000010156804 563355234 /nfs/dbraw/zinc/35/52/34/563355234.db2.gz HEJLAHKUISOHNT-GFCCVEGCSA-N 0 0 310.328 3.826 40 0 DHABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCc1ccccc1 ZINC000011637267 563358996 /nfs/dbraw/zinc/35/89/96/563358996.db2.gz ZRDCNINCJIETDJ-IBGZPJMESA-N 0 0 311.425 3.820 40 0 DHABRN Cc1ccc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)o1 ZINC000012116076 563361671 /nfs/dbraw/zinc/36/16/71/563361671.db2.gz NYPTVRSUPWCXRY-KRWDZBQOSA-N 0 0 323.396 3.761 40 0 DHABRN O=C(c1cc2c(s1)CCC2)N1CCC(c2ccncc2)CC1 ZINC000012117372 563362325 /nfs/dbraw/zinc/36/23/25/563362325.db2.gz NPHZBOVRBVRYSY-UHFFFAOYSA-N 0 0 312.438 3.652 40 0 DHABRN Cc1cc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c2cc1C ZINC000012144810 563363272 /nfs/dbraw/zinc/36/32/72/563363272.db2.gz VEGIVSLUWVBYHU-KRWDZBQOSA-N 0 0 320.396 3.552 40 0 DHABRN O=C(c1cccnc1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012180957 563363831 /nfs/dbraw/zinc/36/38/31/563363831.db2.gz QTOQEDWNWYAQFX-ZNXRZULTSA-N 0 0 310.372 3.772 40 0 DHABRN CCC[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1cccs1 ZINC000012200023 563364934 /nfs/dbraw/zinc/36/49/34/563364934.db2.gz DOPKYUTXEZBFEP-GFCCVEGCSA-N 0 0 305.447 3.876 40 0 DHABRN COc1cc(C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1O ZINC000012384199 563368167 /nfs/dbraw/zinc/36/81/67/563368167.db2.gz KTOAGBIQQPGNIR-XLWVJDPXSA-N 0 0 304.386 3.772 40 0 DHABRN Cc1cccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c1 ZINC000013671574 563384676 /nfs/dbraw/zinc/38/46/76/563384676.db2.gz MHWIQWCTPLXIAG-UHFFFAOYSA-N 0 0 308.425 3.915 40 0 DHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCCCC1 ZINC000013686675 563385808 /nfs/dbraw/zinc/38/58/08/563385808.db2.gz CVXZGNIAUFZBQV-CYBMUJFWSA-N 0 0 302.418 3.734 40 0 DHABRN COc1ccc([C@H](C)NC(=S)Nc2cccc(F)c2)cc1 ZINC000013932635 563392836 /nfs/dbraw/zinc/39/28/36/563392836.db2.gz SHYPFYXDXZAVEF-NSHDSACASA-N 0 0 304.390 3.882 40 0 DHABRN Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000014573708 563401572 /nfs/dbraw/zinc/40/15/72/563401572.db2.gz YZLXHGBLWAHHRM-HEWZJLJBSA-N 0 0 323.392 3.923 40 0 DHABRN C[C@H](CCc1ccco1)N(C)C(=O)CCc1ccc(F)cc1 ZINC000036614117 563408320 /nfs/dbraw/zinc/40/83/20/563408320.db2.gz JRIXGKOVJHQAFO-CQSZACIVSA-N 0 0 303.377 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563923078 /nfs/dbraw/zinc/92/30/78/563923078.db2.gz GFPGGZXVQVLDAS-UHFFFAOYSA-N 0 0 307.459 3.891 40 0 DHABRN Cc1cccc(N(Cc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000033768075 563923210 /nfs/dbraw/zinc/92/32/10/563923210.db2.gz QEQLECZVFXVPBH-UHFFFAOYSA-N 0 0 309.818 3.615 40 0 DHABRN CSc1ccccc1C(=O)NCCSCc1ccco1 ZINC000138681577 563923518 /nfs/dbraw/zinc/92/35/18/563923518.db2.gz RDKXLMBFYYONQH-UHFFFAOYSA-N 0 0 307.440 3.665 40 0 DHABRN COC(=O)c1cccc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000575441361 563925372 /nfs/dbraw/zinc/92/53/72/563925372.db2.gz GTWHCGPVRHUVPF-OAHLLOKOSA-N 0 0 319.401 3.588 40 0 DHABRN CCOC(=O)c1cccc(CN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000685937103 563927087 /nfs/dbraw/zinc/92/70/87/563927087.db2.gz JBTVGCYWUXGVOC-UHFFFAOYSA-N 0 0 319.401 3.763 40 0 DHABRN Cc1cc(-c2noc([C@H](C)N)n2)cc(C)c1OCc1ccccc1 ZINC000095095359 563930855 /nfs/dbraw/zinc/93/08/55/563930855.db2.gz RBQJKJNFAKBWEA-AWEZNQCLSA-N 0 0 323.396 3.952 40 0 DHABRN c1[nH]c([C@@H]2COCCN2Cc2ccccc2)nc1-c1ccccc1 ZINC000067898612 563950665 /nfs/dbraw/zinc/95/06/65/563950665.db2.gz UDEIHMUGTXXWDV-IBGZPJMESA-N 0 0 319.408 3.650 40 0 biogenic,in-vitro DHABRN CCNc1nc(Nc2ccc(F)cc2C)cc(-c2cccnc2)n1 ZINC000329035311 563960126 /nfs/dbraw/zinc/96/01/26/563960126.db2.gz RCVXCYZGWVMXRE-UHFFFAOYSA-N 0 0 323.375 4.162 40 0 DHABRN CCOc1ccc(Nc2cc(C3CC3)nc(NC(C)C)n2)cc1 ZINC000329022165 563960249 /nfs/dbraw/zinc/96/02/49/563960249.db2.gz OLHBXKAOUONFPT-UHFFFAOYSA-N 0 0 312.417 4.317 40 0 DHABRN Cc1cc(C(=O)Nc2ccccc2Br)ccc1N ZINC000020220811 563961626 /nfs/dbraw/zinc/96/16/26/563961626.db2.gz UYKJNGMJLXWPDA-UHFFFAOYSA-N 0 0 305.175 3.592 40 0 DHABRN O=C(CCc1cccs1)N1CCC[C@H](c2nccs2)C1 ZINC000171647386 568414495 /nfs/dbraw/zinc/41/44/95/568414495.db2.gz NFGVBHMIZIWYND-LBPRGKRZSA-N 0 0 306.456 3.543 40 0 DHABRN COCCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000023977544 568416507 /nfs/dbraw/zinc/41/65/07/568416507.db2.gz VJHVLDDWWLGFJE-UHFFFAOYSA-N 0 0 315.438 3.745 40 0 DHABRN COc1cc(C)ccc1N1C(=O)C[C@@H]([C@H](C)c2ccccc2)C1=O ZINC000101626435 568418024 /nfs/dbraw/zinc/41/80/24/568418024.db2.gz MHGJUSXABUQKSX-ZBFHGGJFSA-N 0 0 323.392 3.687 40 0 DHABRN O=C1O[C@H](c2ccc(O)cc2)Nc2cc(C(F)(F)F)ccc21 ZINC000054363789 1014178356 /nfs/dbraw/zinc/17/83/56/1014178356.db2.gz BTHXVASKUZHAGW-CYBMUJFWSA-N 0 0 309.243 3.692 40 0 DHABRN C#C[C@@]1(O)C=C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@]21CC ZINC000043574003 1032236094 /nfs/dbraw/zinc/23/60/94/1032236094.db2.gz SIGSPDASOTUPFS-XHCJJCCMSA-N 0 0 310.437 3.659 40 0 DHABRN O=Cc1cc(Br)cc(F)c1OCc1ccccc1 ZINC000142270774 1019306079 /nfs/dbraw/zinc/30/60/79/1019306079.db2.gz BZUGACPNEXNCFI-UHFFFAOYSA-N 0 0 309.134 3.980 40 0 DHABRN Cc1ccn2cc(C(=O)N3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000198751726 1019316326 /nfs/dbraw/zinc/31/63/26/1019316326.db2.gz PLOWKZWTARRWFW-QGZVFWFLSA-N 0 0 305.381 3.620 40 0 DHABRN O=C(OCc1ccccc1)N1CCC[C@@H]1c1cc(Cl)cnn1 ZINC000256053901 1019706601 /nfs/dbraw/zinc/70/66/01/1019706601.db2.gz UCAYRGPYAUWYNM-OAHLLOKOSA-N 0 0 317.776 3.604 40 0 DHABRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(F)c(F)c1)CC2=O ZINC000001432758 1020362137 /nfs/dbraw/zinc/36/21/37/1020362137.db2.gz DBJBTEZSUFMLON-DLBZAZTESA-N 0 0 307.340 3.689 40 0 DHABRN CN(C)/N=C/C=C1/CC/C(=C\c2ccccc2C(F)(F)F)C1=O ZINC000033657115 1020628257 /nfs/dbraw/zinc/62/82/57/1020628257.db2.gz MLYLVIUDHUKLPQ-GSLNDWDFSA-N 0 0 322.330 3.926 40 0 DHABRN O=C(NCCSCc1ccco1)c1ccc(Cl)cc1F ZINC000223294968 1024591278 /nfs/dbraw/zinc/59/12/78/1024591278.db2.gz VVRRCKLUGDEBIS-UHFFFAOYSA-N 0 0 313.781 3.735 40 0 DHABRN Cc1ccc(CCC(=O)N[C@H](C)COc2ccccc2)cc1C ZINC000223277270 1024592485 /nfs/dbraw/zinc/59/24/85/1024592485.db2.gz WCJYBFOLWMXOIL-QGZVFWFLSA-N 0 0 311.425 3.820 40 0 DHABRN CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224702567 1024648742 /nfs/dbraw/zinc/64/87/42/1024648742.db2.gz SDMOFRDLJGNMJU-UHFFFAOYSA-N 0 0 316.209 3.819 40 0 DHABRN CCOc1cccc(N(CC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224695711 1024648958 /nfs/dbraw/zinc/64/89/58/1024648958.db2.gz NZWDICZZVQDAFK-UHFFFAOYSA-N 0 0 319.426 3.609 40 0 DHABRN CCOc1cccc(NC(=S)NCCSC(C)(C)C)c1 ZINC000225351576 201697377 /nfs/dbraw/zinc/69/73/77/201697377.db2.gz ZDSWAAKXLBXBMG-UHFFFAOYSA-N 0 0 312.504 3.903 40 0 DHABRN Cc1cc(OCCC2OCCCO2)cc(C)c1Br ZINC000095734229 185383688 /nfs/dbraw/zinc/38/36/88/185383688.db2.gz ZPBAYVGFGPMIGX-UHFFFAOYSA-N 0 0 315.207 3.598 40 0 DHABRN Cc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000096621556 185384446 /nfs/dbraw/zinc/38/44/46/185384446.db2.gz YEBHKGKFCWZNFR-UHFFFAOYSA-N 0 0 301.817 3.940 40 0 DHABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000096659208 185385078 /nfs/dbraw/zinc/38/50/78/185385078.db2.gz CKHBOWBMEZWFAN-UHFFFAOYSA-N 0 0 319.426 3.730 40 0 DHABRN COc1ccc(OC)c(Nc2cc(Cl)nc(C3CC3)n2)c1 ZINC000162816212 197593687 /nfs/dbraw/zinc/59/36/87/197593687.db2.gz BGOACLSZVZRUMI-UHFFFAOYSA-N 0 0 305.765 3.768 40 0 DHABRN CC(C)(Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 ZINC000096761801 185386654 /nfs/dbraw/zinc/38/66/54/185386654.db2.gz OHGBDTSGLNJUNY-UHFFFAOYSA-N 0 0 317.816 3.856 40 0 DHABRN Cc1ccnc(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000079440832 185171753 /nfs/dbraw/zinc/17/17/53/185171753.db2.gz TYMLVMCQAMQQKW-CYBMUJFWSA-N 0 0 308.447 3.739 40 0 DHABRN NC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000090558181 185303061 /nfs/dbraw/zinc/30/30/61/185303061.db2.gz ZOIBKAPMRJHRNY-OAHLLOKOSA-N 0 0 317.751 3.709 40 0 DHABRN CC[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000007037315 190628115 /nfs/dbraw/zinc/62/81/15/190628115.db2.gz XAJBEZHMBSFNPB-GOSISDBHSA-N 0 0 313.397 3.514 40 0 DHABRN C[C@H](Nc1ccc(N)cc1C(=O)N1CCCC1)c1ccccc1 ZINC000225459099 201712781 /nfs/dbraw/zinc/71/27/81/201712781.db2.gz KWYNIOCYNJEEEJ-AWEZNQCLSA-N 0 0 309.413 3.678 40 0 DHABRN CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccccc1C ZINC000225759406 201742880 /nfs/dbraw/zinc/74/28/80/201742880.db2.gz UCMNPEWZFVSWCL-HNNXBMFYSA-N 0 0 315.442 3.836 40 0 DHABRN Cc1ccc(-c2nnsc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000225775225 201745171 /nfs/dbraw/zinc/74/51/71/201745171.db2.gz JFLQFUIQQVTTOA-UHFFFAOYSA-N 0 0 323.421 3.786 40 0 DHABRN C[C@]1(O)CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004104652 290720586 /nfs/dbraw/zinc/72/05/86/290720586.db2.gz XLHAVSYGJGEONL-AFJLWXLSSA-N 0 0 318.457 3.528 40 0 biogenic,in-vitro DHABRN CCC1(NC(=S)Nc2ccc(OC)c(OC)c2)CCCC1 ZINC000225850012 201755355 /nfs/dbraw/zinc/75/53/55/201755355.db2.gz RDWHCEOUQDUAFA-UHFFFAOYSA-N 0 0 308.447 3.713 40 0 DHABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCC[C@H](C)C1 ZINC000225855818 201756030 /nfs/dbraw/zinc/75/60/30/201756030.db2.gz BSSFHXIWHZBOMI-GJZGRUSLSA-N 0 0 301.430 3.591 40 0 DHABRN Cc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)nc1 ZINC000225872592 201757798 /nfs/dbraw/zinc/75/77/98/201757798.db2.gz MKYYXQLFTPAMAP-UHFFFAOYSA-N 0 0 312.442 3.541 40 0 DHABRN Cc1cc(C)nc(Nc2cccc(C(=O)N3CCCCCC3)c2)n1 ZINC000225915585 201761645 /nfs/dbraw/zinc/76/16/45/201761645.db2.gz BVQJBXUKXIMPKF-UHFFFAOYSA-N 0 0 324.428 3.853 40 0 DHABRN CCOc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1 ZINC000067814901 190725267 /nfs/dbraw/zinc/72/52/67/190725267.db2.gz LWEDEGSBNVKCLF-UHFFFAOYSA-N 0 0 303.789 3.598 40 0 DHABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(F)cc1 ZINC000072228971 191077294 /nfs/dbraw/zinc/07/72/94/191077294.db2.gz WDWAAISAQPFMMZ-UHFFFAOYSA-N 0 0 324.359 3.530 40 0 DHABRN CCCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225593615 186281229 /nfs/dbraw/zinc/28/12/29/186281229.db2.gz NWHGJQCHIXPRGH-UHFFFAOYSA-N 0 0 300.196 3.587 40 0 DHABRN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)cc1 ZINC000225623675 186284585 /nfs/dbraw/zinc/28/45/85/186284585.db2.gz YCFIQKDUNZQCSD-GOSISDBHSA-N 0 0 323.433 3.636 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000225629110 186285248 /nfs/dbraw/zinc/28/52/48/186285248.db2.gz QVDFOSNBBOMEPO-UHFFFAOYSA-N 0 0 323.392 3.994 40 0 DHABRN CCC(C)(C)NC(=S)Nc1cc(C(=O)OC)ccc1Cl ZINC000225644765 186286080 /nfs/dbraw/zinc/28/60/80/186286080.db2.gz KDSIBWVBLXJCBE-UHFFFAOYSA-N 0 0 314.838 3.602 40 0 DHABRN COC(=O)c1cccc(NC(=O)c2cc(C)c(C)cc2C)c1C ZINC000225643646 186286389 /nfs/dbraw/zinc/28/63/89/186286389.db2.gz BCIVDCJPGCNXEN-UHFFFAOYSA-N 0 0 311.381 3.959 40 0 DHABRN COC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2C)c1C ZINC000225671814 186288256 /nfs/dbraw/zinc/28/82/56/186288256.db2.gz XQHZCBBQISTCTH-UHFFFAOYSA-N 0 0 311.381 3.580 40 0 DHABRN Clc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)s1 ZINC000072321984 191121803 /nfs/dbraw/zinc/12/18/03/191121803.db2.gz BUBXBXOXJJKTBJ-LBPRGKRZSA-N 0 0 323.849 3.575 40 0 biogenic,in-vitro DHABRN CC(=O)N1CCC(c2cnc(-c3ccc(Cl)cc3)cn2)CC1 ZINC000072360765 191131390 /nfs/dbraw/zinc/13/13/90/191131390.db2.gz LRPJZNVUEYBLNS-UHFFFAOYSA-N 0 0 315.804 3.523 40 0 DHABRN O=C(CCCn1ccnc1)Nc1ccc(OC2CCCC2)cc1 ZINC000072392186 191147118 /nfs/dbraw/zinc/14/71/18/191147118.db2.gz JUDNVHJUQYAGNI-UHFFFAOYSA-N 0 0 313.401 3.623 40 0 DHABRN Cc1ccccc1NCc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392298 191147247 /nfs/dbraw/zinc/14/72/47/191147247.db2.gz UEIOGAQIWWVPKA-UHFFFAOYSA-N 0 0 315.380 3.712 40 0 DHABRN CCc1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000072391488 191147630 /nfs/dbraw/zinc/14/76/30/191147630.db2.gz DZCZQLDOHGEVHK-NSHDSACASA-N 0 0 319.426 3.819 40 0 DHABRN CCc1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000072391489 191148194 /nfs/dbraw/zinc/14/81/94/191148194.db2.gz DZCZQLDOHGEVHK-LLVKDONJSA-N 0 0 319.426 3.819 40 0 DHABRN COc1nc(Cl)nc(Nc2ccccc2-c2ccccc2)n1 ZINC000000053634 180679535 /nfs/dbraw/zinc/67/95/35/180679535.db2.gz LPSDOIZRJUFXDH-UHFFFAOYSA-N 0 0 312.760 3.944 40 0 DHABRN Cc1cc(OCc2ccc(C(=O)n3cccn3)o2)ccc1Cl ZINC000000370969 180769211 /nfs/dbraw/zinc/76/92/11/180769211.db2.gz AYKRBHXROXLXNS-UHFFFAOYSA-N 0 0 316.744 3.705 40 0 aggregator DHABRN CCc1ccccc1NCc1cc2ccc(OC)cc2[nH]c1=O ZINC000000421141 180783711 /nfs/dbraw/zinc/78/37/11/180783711.db2.gz ZEGHFRROXHELOE-UHFFFAOYSA-N 0 0 308.381 3.711 40 0 DHABRN Cc1ccc(C2=NN=C(N3CCCCC3)[C@@H]3C=CC=C[C@H]23)cc1 ZINC000001465513 180868560 /nfs/dbraw/zinc/86/85/60/180868560.db2.gz LMRZANAIQNLWBF-ZWKOTPCHSA-N 0 0 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CCCn1cc(-c2cncn2CCCc2ccccc2OC)cn1 ZINC000019719501 182138091 /nfs/dbraw/zinc/13/80/91/182138091.db2.gz VAQLWMUUDRVMLZ-UHFFFAOYSA-N 0 0 324.428 3.798 40 0 DHABRN CCOC(=O)c1c(Cl)c2cc(Br)ccc2n1C ZINC000019770080 182144610 /nfs/dbraw/zinc/14/46/10/182144610.db2.gz RFRSREDUCRYCHK-UHFFFAOYSA-N 0 0 316.582 3.771 40 0 DHABRN CCOc1ccccc1-c1nnc(NC(=O)c2cccc(C)c2)o1 ZINC000019927150 182165077 /nfs/dbraw/zinc/16/50/77/182165077.db2.gz LBELDHGLBVVQLW-UHFFFAOYSA-N 0 0 323.352 3.696 40 0 DHABRN COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(N)c1 ZINC000019987199 182174344 /nfs/dbraw/zinc/17/43/44/182174344.db2.gz OGOPXVDBZWGWBJ-UHFFFAOYSA-N 0 0 311.168 3.837 40 0 DHABRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000019931346 182165946 /nfs/dbraw/zinc/16/59/46/182165946.db2.gz NQOSHHNPHKDNMJ-BLXFFLACSA-N 0 0 311.381 3.594 40 0 DHABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1C ZINC000020025590 182180624 /nfs/dbraw/zinc/18/06/24/182180624.db2.gz YYTKGKNTKKOYFJ-AWEZNQCLSA-N 0 0 313.397 3.893 40 0 DHABRN CSc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020029853 182181435 /nfs/dbraw/zinc/18/14/35/182181435.db2.gz PECLFAMHLZTZMC-ZDUSSCGKSA-N 0 0 321.467 3.756 40 0 DHABRN OCc1ccc(OCc2ccc(F)cc2Br)cc1 ZINC000020031264 182181589 /nfs/dbraw/zinc/18/15/89/182181589.db2.gz DMLGDTROMPUBPT-UHFFFAOYSA-N 0 0 311.150 3.660 40 0 DHABRN COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2C)cc1 ZINC000020039313 182182958 /nfs/dbraw/zinc/18/29/58/182182958.db2.gz CVTZYNRZRSCEKM-AWEZNQCLSA-N 0 0 315.438 3.801 40 0 DHABRN COc1ccc([C@H](C)NC(=O)CSCc2ccccc2)cc1 ZINC000020040491 182183099 /nfs/dbraw/zinc/18/30/99/182183099.db2.gz NZRQCADFEGYQSP-AWEZNQCLSA-N 0 0 315.438 3.806 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000020048636 182183709 /nfs/dbraw/zinc/18/37/09/182183709.db2.gz CIKVHDWPRMOSBV-YVEFUNNKSA-N 0 0 319.351 4.000 40 0 DHABRN C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000020107539 182187572 /nfs/dbraw/zinc/18/75/72/182187572.db2.gz ASFVCUKBYVTRGG-GFCCVEGCSA-N 0 0 321.779 3.905 40 0 DHABRN Cc1ccccc1-c1nc2ccc(Br)cc2c(=O)o1 ZINC000020419180 182215870 /nfs/dbraw/zinc/21/58/70/182215870.db2.gz HXUXCQIHLHRMSX-UHFFFAOYSA-N 0 0 316.154 3.926 40 0 DHABRN COc1ccc(OC)c(CC(=O)Nc2cccc(Cl)c2C)c1 ZINC000020447815 182217902 /nfs/dbraw/zinc/21/79/02/182217902.db2.gz JYKLNPSCZPZIKQ-UHFFFAOYSA-N 0 0 319.788 3.847 40 0 DHABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccccc1 ZINC000020453735 182219603 /nfs/dbraw/zinc/21/96/03/182219603.db2.gz PQQYTCAYSRZJKX-KDOFPFPSSA-N 0 0 313.397 3.730 40 0 DHABRN Cc1nccn1-c1ccc(CNC(=O)Nc2ccccc2)cc1 ZINC000020461889 182220897 /nfs/dbraw/zinc/22/08/97/182220897.db2.gz UCCHTZZRBFCBCG-UHFFFAOYSA-N 0 0 306.369 3.502 40 0 DHABRN CSc1cccc(NC(=O)c2noc3c2C[C@H](C)CC3)c1 ZINC000020572141 182233987 /nfs/dbraw/zinc/23/39/87/182233987.db2.gz GPLSTRSNNOLDKW-SNVBAGLBSA-N 0 0 302.399 3.774 40 0 DHABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000020492388 182224141 /nfs/dbraw/zinc/22/41/41/182224141.db2.gz SWTFCSXJZCMEIJ-NSHDSACASA-N 0 0 305.324 3.933 40 0 DHABRN COc1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000021999591 182303106 /nfs/dbraw/zinc/30/31/06/182303106.db2.gz MIHASGMYIDYJEQ-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN COC(=O)[C@H](C)c1ccc(-c2ccc(C(C)=O)cc2)c(F)c1 ZINC000022047378 182306396 /nfs/dbraw/zinc/30/63/96/182306396.db2.gz GSUUVAORLIYLIT-LLVKDONJSA-N 0 0 300.329 3.972 40 0 in-vitro DHABRN CCc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 ZINC000022254831 182315856 /nfs/dbraw/zinc/31/58/56/182315856.db2.gz QGNJGWPTLQTTCD-UHFFFAOYSA-N 0 0 312.394 3.876 40 0 DHABRN O=C(Nc1ccc(F)c(Cl)c1)c1cnc2ccccc2c1O ZINC000022233918 182314466 /nfs/dbraw/zinc/31/44/66/182314466.db2.gz QHVZVTZKRNVFEM-UHFFFAOYSA-N 0 0 316.719 3.573 40 0 DHABRN Cc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235186 182314583 /nfs/dbraw/zinc/31/45/83/182314583.db2.gz HSQHBJGCZHISAM-UHFFFAOYSA-N 0 0 318.376 3.508 40 0 DHABRN C[C@@H](NC(=S)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000023107586 182347481 /nfs/dbraw/zinc/34/74/81/182347481.db2.gz LTQVDMWBDXUKOM-GFCCVEGCSA-N 0 0 314.410 3.505 40 0 DHABRN C[C@H](NC(=S)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000023107589 182347797 /nfs/dbraw/zinc/34/77/97/182347797.db2.gz LTQVDMWBDXUKOM-LBPRGKRZSA-N 0 0 314.410 3.505 40 0 DHABRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000023530214 182362862 /nfs/dbraw/zinc/36/28/62/182362862.db2.gz HIFOIXBBFZNDJE-GJZGRUSLSA-N 0 0 313.397 3.648 40 0 DHABRN CCSc1nnc(NC(=O)CCc2ccc(C)cc2)s1 ZINC000024706234 182388361 /nfs/dbraw/zinc/38/83/61/182388361.db2.gz AOKDRPCYWNNKIS-UHFFFAOYSA-N 0 0 307.444 3.530 40 0 DHABRN CC(C)n1c(=O)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000027534036 182476005 /nfs/dbraw/zinc/47/60/05/182476005.db2.gz PZGCLVMSDFFVMQ-UHFFFAOYSA-N 0 0 324.424 3.543 40 0 DHABRN CC[C@H](NC(=O)c1nn(CC)cc1Cl)c1ccc(C)cc1 ZINC000028237689 182515144 /nfs/dbraw/zinc/51/51/44/182515144.db2.gz FJFFNODTDZUECO-AWEZNQCLSA-N 0 0 305.809 3.746 40 0 DHABRN CCn1nc(C)c2c1nc(C)cc2C(=O)N[C@@H](C)c1ccccc1 ZINC000028240865 182515739 /nfs/dbraw/zinc/51/57/39/182515739.db2.gz KAYYCGYEPOFEIE-ZDUSSCGKSA-N 0 0 322.412 3.559 40 0 DHABRN O=C(N[C@@H]1CCCc2ccccc21)c1ccn(C2CCCC2)n1 ZINC000028576629 182530299 /nfs/dbraw/zinc/53/02/99/182530299.db2.gz ROCSDKXNYPDFDM-QGZVFWFLSA-N 0 0 309.413 3.806 40 0 DHABRN CCOc1cc(OCC)c(C(=O)CC)cc1Br ZINC000030769112 182598135 /nfs/dbraw/zinc/59/81/35/182598135.db2.gz NCNYIASCZMWRAR-UHFFFAOYSA-N 0 0 301.180 3.839 40 0 DHABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000030864780 182600377 /nfs/dbraw/zinc/60/03/77/182600377.db2.gz CAQJZSHITCTCEL-QGZVFWFLSA-N 0 0 311.425 3.738 40 0 DHABRN COP(=O)(OC)[C@@H](/C=C(\Cl)c1ccc(C)cc1)N(C)C ZINC000032237373 182638576 /nfs/dbraw/zinc/63/85/76/182638576.db2.gz DHUGUSHZSVRSKS-ZVHGMHCTSA-N 0 0 317.753 3.948 40 0 DHABRN Cc1ccccc1OCC(=O)NCc1ccccc1C(F)(F)F ZINC000032610980 182650130 /nfs/dbraw/zinc/65/01/30/182650130.db2.gz YBSJJEBNBVZOOL-UHFFFAOYSA-N 0 0 323.314 3.709 40 0 DHABRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 ZINC000034917956 182744073 /nfs/dbraw/zinc/74/40/73/182744073.db2.gz ZLPREERWMVIGDY-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN CC(=O)Nc1ccc(-c2ccsc2)cc1NC(=O)C1CC1 ZINC000038490187 183000383 /nfs/dbraw/zinc/00/03/83/183000383.db2.gz PTQYNXGBKDUYKE-UHFFFAOYSA-N 0 0 300.383 3.722 40 0 DHABRN COc1ccc([C@@H](C)NC(=O)CSc2ccccc2)cc1 ZINC000038755007 183008717 /nfs/dbraw/zinc/00/87/17/183008717.db2.gz GJEWUYYZHMLFCC-CYBMUJFWSA-N 0 0 301.411 3.665 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000038772519 183009575 /nfs/dbraw/zinc/00/95/75/183009575.db2.gz MBKSAAYGZPUIFL-DYVFJYSZSA-N 0 0 301.361 3.861 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000038851079 183010916 /nfs/dbraw/zinc/01/09/16/183010916.db2.gz ZDEWRDFSSSKXMH-UHFFFAOYSA-N 0 0 309.344 3.631 40 0 DHABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000038849267 183011531 /nfs/dbraw/zinc/01/15/31/183011531.db2.gz CUKMHCMOEZDBTK-UHFFFAOYSA-N 0 0 309.344 3.631 40 0 DHABRN COc1cccc(NC(=O)NCCOc2cc(C)cc(C)c2)c1 ZINC000038901159 183012937 /nfs/dbraw/zinc/01/29/37/183012937.db2.gz FGQJKIGOTJOJOM-UHFFFAOYSA-N 0 0 314.385 3.513 40 0 DHABRN COc1ccc([C@H](O)c2ccccc2Br)c(C)c1 ZINC000040246174 183049263 /nfs/dbraw/zinc/04/92/63/183049263.db2.gz MVLFMVNIWPKOJD-HNNXBMFYSA-N 0 0 307.187 3.848 40 0 DHABRN COc1ccc(F)cc1[C@H](O)c1ccccc1Br ZINC000040258377 183049309 /nfs/dbraw/zinc/04/93/09/183049309.db2.gz UPKVHUQRPRGNGR-CQSZACIVSA-N 0 0 311.150 3.679 40 0 DHABRN COc1ccc([C@@H](O)c2cccc(Br)c2)cc1C ZINC000040262436 183049347 /nfs/dbraw/zinc/04/93/47/183049347.db2.gz AMZOYJPXKAEUPJ-HNNXBMFYSA-N 0 0 307.187 3.848 40 0 DHABRN COc1ccc([C@@H](O)c2cccc(Br)c2)cc1OC ZINC000040243570 183049364 /nfs/dbraw/zinc/04/93/64/183049364.db2.gz KDCKUIMUXMCYFY-HNNXBMFYSA-N 0 0 323.186 3.548 40 0 DHABRN COc1ccc([C@@H](O)c2ccc(Br)cc2)c(C)c1 ZINC000040246003 183049393 /nfs/dbraw/zinc/04/93/93/183049393.db2.gz BZNVVEIUBGUOFV-HNNXBMFYSA-N 0 0 307.187 3.848 40 0 DHABRN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000040295148 183052098 /nfs/dbraw/zinc/05/20/98/183052098.db2.gz UIMKVYLWJAVFAE-IUCAKERBSA-N 0 0 301.217 3.979 40 0 DHABRN Nc1cc(C(=O)N2CCc3ccccc32)cc(Cl)c1Cl ZINC000040294431 183052223 /nfs/dbraw/zinc/05/22/23/183052223.db2.gz KHNHCSLNLCSFFI-UHFFFAOYSA-N 0 0 307.180 3.779 40 0 DHABRN Cc1c(Cl)cccc1NC(=O)c1cc(N)ccc1N(C)C ZINC000040296643 183052472 /nfs/dbraw/zinc/05/24/72/183052472.db2.gz TWDMKVQIFXTHPT-UHFFFAOYSA-N 0 0 303.793 3.549 40 0 DHABRN Cc1cc2nc(-c3cc(N)ccc3O)oc2c(Br)c1 ZINC000040542285 183098430 /nfs/dbraw/zinc/09/84/30/183098430.db2.gz QTDNRNYJTRVJKY-UHFFFAOYSA-N 0 0 319.158 3.854 40 0 DHABRN CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000040945951 183149544 /nfs/dbraw/zinc/14/95/44/183149544.db2.gz PJNXOXHUIVGKIQ-GJZGRUSLSA-N 0 0 307.434 3.795 40 0 DHABRN COC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1 ZINC000041081538 183163996 /nfs/dbraw/zinc/16/39/96/183163996.db2.gz SNWGEHUZEPCGTK-UHFFFAOYSA-N 0 0 321.174 3.562 40 0 DHABRN Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000041091160 183164016 /nfs/dbraw/zinc/16/40/16/183164016.db2.gz FLHXRXGQBFYPAA-UHFFFAOYSA-N 0 0 313.781 3.897 40 0 DHABRN CC(=O)c1c(Nc2ccc(Br)cc2)cc(C)oc1=O ZINC000041124494 183169025 /nfs/dbraw/zinc/16/90/25/183169025.db2.gz DRCYHCLNTTWTQL-UHFFFAOYSA-N 0 0 322.158 3.657 40 0 DHABRN c1nc2nc(Nc3ccccc3)nc(N[C@@H]3C[C@H]4CC[C@@H]3C4)c2[nH]1 ZINC000043328776 183355130 /nfs/dbraw/zinc/35/51/30/183355130.db2.gz SLLSODGWHDUMRG-OUCADQQQSA-N 0 0 320.400 3.697 40 0 in-vitro DHABRN CC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000043466501 183365224 /nfs/dbraw/zinc/36/52/24/183365224.db2.gz IYYCMFFSSDZPJO-UHFFFAOYSA-N 0 0 312.413 3.980 40 0 DHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(OC)c1 ZINC000044900204 183451970 /nfs/dbraw/zinc/45/19/70/183451970.db2.gz MURTXGRGXUKGBG-MRXNPFEDSA-N 0 0 303.333 3.630 40 0 DHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(OC)c1 ZINC000044900203 183452346 /nfs/dbraw/zinc/45/23/46/183452346.db2.gz MURTXGRGXUKGBG-INIZCTEOSA-N 0 0 303.333 3.630 40 0 DHABRN C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000045904109 183535458 /nfs/dbraw/zinc/53/54/58/183535458.db2.gz WCCAFFBLEMVGHR-NSHDSACASA-N 0 0 317.772 3.602 40 0 DHABRN C[C@@H](Sc1ccccc1)C(=O)NCCSC1CCCC1 ZINC000046450817 183561968 /nfs/dbraw/zinc/56/19/68/183561968.db2.gz IQNZBSLVKIEEHA-CYBMUJFWSA-N 0 0 309.500 3.959 40 0 DHABRN CC(C)Oc1cccc(CNC(=O)CCc2ccc(F)cc2)c1 ZINC000046663210 183566138 /nfs/dbraw/zinc/56/61/38/183566138.db2.gz ADEZNOWYNVRLHC-UHFFFAOYSA-N 0 0 315.388 3.862 40 0 DHABRN CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccccc1Cl ZINC000059291785 184136472 /nfs/dbraw/zinc/13/64/72/184136472.db2.gz NHHATRXLYJSCHR-CYBMUJFWSA-N 0 0 317.882 3.976 40 0 DHABRN Cc1ccc(SCCNC(=O)CCc2ccccc2F)cc1 ZINC000061046824 184161104 /nfs/dbraw/zinc/16/11/04/184161104.db2.gz QGKBWSMEHIMIIG-UHFFFAOYSA-N 0 0 317.429 3.975 40 0 DHABRN CCOc1ccccc1Nc1ccc(C(=O)OC(C)C)cc1N ZINC000225430993 256595705 /nfs/dbraw/zinc/59/57/05/256595705.db2.gz ZYWOKXOVDDMVHD-UHFFFAOYSA-N 0 0 314.385 3.976 40 0 DHABRN C[C@H]1CC[C@H]1COc1cccc(I)c1 ZINC000242648748 257120339 /nfs/dbraw/zinc/12/03/39/257120339.db2.gz RFVHRHWKAUGMAG-UWVGGRQHSA-N 0 0 302.155 3.716 40 0 DHABRN C[C@H]1CC[C@H]1COc1ccccc1I ZINC000242701695 257120549 /nfs/dbraw/zinc/12/05/49/257120549.db2.gz WKLKLZKYRQIHCQ-UWVGGRQHSA-N 0 0 302.155 3.716 40 0 DHABRN Cc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227446 257122432 /nfs/dbraw/zinc/12/24/32/257122432.db2.gz MEWOSRODEJHKIA-LSDHHAIUSA-N 0 0 321.207 3.717 40 0 DHABRN Cc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227493 257122848 /nfs/dbraw/zinc/12/28/48/257122848.db2.gz NLNQEDWLVOPSES-CABCVRRESA-N 0 0 321.207 3.717 40 0 DHABRN Cc1cc(=S)[nH]cc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072218360 257124036 /nfs/dbraw/zinc/12/40/36/257124036.db2.gz NLKZOFWVRYLMBD-UHFFFAOYSA-N 0 0 324.446 3.930 40 0 DHABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccsc2)cc1 ZINC000072221713 257124331 /nfs/dbraw/zinc/12/43/31/257124331.db2.gz XSBGTEGUTCKLBW-INIZCTEOSA-N 0 0 321.467 3.972 40 0 DHABRN COc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c(C)n1 ZINC000072218113 257124832 /nfs/dbraw/zinc/12/48/32/257124832.db2.gz JRNFWACZUUGZSX-QGZVFWFLSA-N 0 0 310.397 3.766 40 0 DHABRN CSc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072216981 257125411 /nfs/dbraw/zinc/12/54/11/257125411.db2.gz LJHINBHPHBMUGI-UHFFFAOYSA-N 0 0 324.446 3.681 40 0 DHABRN CCCNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072213191 257127241 /nfs/dbraw/zinc/12/72/41/257127241.db2.gz PQJHBAMRBNIOEK-AWEZNQCLSA-N 0 0 305.422 3.976 40 0 DHABRN CCCNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072213192 257127243 /nfs/dbraw/zinc/12/72/43/257127243.db2.gz PQJHBAMRBNIOEK-CQSZACIVSA-N 0 0 305.422 3.976 40 0 DHABRN CCN(CC)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072212844 257127318 /nfs/dbraw/zinc/12/73/18/257127318.db2.gz JUBGUQIYUMYRKS-GOSISDBHSA-N 0 0 323.440 3.905 40 0 DHABRN CCOc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072211868 257127531 /nfs/dbraw/zinc/12/75/31/257127531.db2.gz QSSHSWTUFKMDBW-CQSZACIVSA-N 0 0 306.406 3.942 40 0 DHABRN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000059227320 257217149 /nfs/dbraw/zinc/21/71/49/257217149.db2.gz OLEWWVKENHHGQP-MRXNPFEDSA-N 0 0 322.408 3.549 40 0 DHABRN Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(C)c3C)CC2=O)c1 ZINC000059227303 257217310 /nfs/dbraw/zinc/21/73/10/257217310.db2.gz IUJBJBYTXYDQND-INIZCTEOSA-N 0 0 322.408 3.603 40 0 DHABRN CC(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000409204373 257220837 /nfs/dbraw/zinc/22/08/37/257220837.db2.gz GDWKXXCUUFHWOB-LDADJPATSA-N 0 0 320.392 3.903 40 0 DHABRN CC(=O)c1cn([C@H](C)C(=O)NCc2ccccc2)c2ccccc12 ZINC000409206385 257220873 /nfs/dbraw/zinc/22/08/73/257220873.db2.gz NQEDBFVRXNHDNR-CQSZACIVSA-N 0 0 320.392 3.721 40 0 DHABRN Cc1cccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1C ZINC000409196938 257221205 /nfs/dbraw/zinc/22/12/05/257221205.db2.gz SRUJXEWMMREYLM-UHFFFAOYSA-N 0 0 308.425 3.875 40 0 DHABRN CCc1cccc2c(C=O)cn(CC(=O)N(C)c3ccccc3)c21 ZINC000409196688 257221383 /nfs/dbraw/zinc/22/13/83/257221383.db2.gz XZTBJJUREZIMOW-UHFFFAOYSA-N 0 0 320.392 3.679 40 0 DHABRN C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc2conc2c1 ZINC000409198397 257221475 /nfs/dbraw/zinc/22/14/75/257221475.db2.gz FNXFMJCBDKZYCX-LLVKDONJSA-N 0 0 309.394 3.976 40 0 DHABRN CCOc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OC ZINC000409058405 257223298 /nfs/dbraw/zinc/22/32/98/257223298.db2.gz OKPQUHYOEPAWNL-ZROIWOOFSA-N 0 0 321.398 3.539 40 0 DHABRN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C/[N+](=O)[O-])o2)c1 ZINC000409005576 257224874 /nfs/dbraw/zinc/22/48/74/257224874.db2.gz FIAPAFHNIWOZAY-VOTSOKGWSA-N 0 0 307.689 3.634 40 0 DHABRN Cc1ccc(SCC(=O)NCCSCc2ccco2)cc1 ZINC000408921578 257225309 /nfs/dbraw/zinc/22/53/09/257225309.db2.gz IYNAXJMPYKMSFT-UHFFFAOYSA-N 0 0 321.467 3.730 40 0 DHABRN CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)c2ccccc12 ZINC000408820732 257226723 /nfs/dbraw/zinc/22/67/23/257226723.db2.gz YJHMKBMSSOBCQV-GDNBJRDFSA-N 0 0 313.378 3.905 40 0 DHABRN CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2cc(C)ccc21 ZINC000408713083 257228073 /nfs/dbraw/zinc/22/80/73/257228073.db2.gz JOZLSJOHBURAMR-UHFFFAOYSA-N 0 0 320.392 3.891 40 0 DHABRN CCn1cc(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 ZINC000408713288 257228105 /nfs/dbraw/zinc/22/81/05/257228105.db2.gz ROIQESVICYGAHF-UHFFFAOYSA-N 0 0 320.392 3.891 40 0 DHABRN COc1ccc(OCCCC(=O)NC(C(C)C)C(C)C)cc1 ZINC000408706066 257228600 /nfs/dbraw/zinc/22/86/00/257228600.db2.gz UOVNNNFHRYNXIH-UHFFFAOYSA-N 0 0 307.434 3.651 40 0 DHABRN CCOc1ccc(C(=S)NCc2cccc(OC)c2)cc1 ZINC000408572029 257229855 /nfs/dbraw/zinc/22/98/55/257229855.db2.gz GFEKDODBOHRJGM-UHFFFAOYSA-N 0 0 301.411 3.559 40 0 DHABRN O=C([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000100357964 257232240 /nfs/dbraw/zinc/23/22/40/257232240.db2.gz USODXQCOJVBWAY-IRXDYDNUSA-N 0 0 315.800 3.640 40 0 DHABRN CC[C@H](C)n1cc(Br)c(COCC(F)(F)F)n1 ZINC000408716394 257215137 /nfs/dbraw/zinc/21/51/37/257215137.db2.gz MNNNNUNKGSNPDF-ZETCQYMHSA-N 0 0 315.133 3.696 40 0 DHABRN CC[C@@H](C)OCc1nn(CC(F)(F)F)cc1Br ZINC000408716291 257215396 /nfs/dbraw/zinc/21/53/96/257215396.db2.gz LBUIBYIPNKRDJF-SSDOTTSWSA-N 0 0 315.133 3.523 40 0 DHABRN CCOC(=O)c1cn2cc(-c3cccc(Cl)c3)sc2n1 ZINC000228970707 262505470 /nfs/dbraw/zinc/50/54/70/262505470.db2.gz HPVZNRLLKJSAKE-UHFFFAOYSA-N 0 0 306.774 3.893 40 0 DHABRN COc1cccc(O[C@H](C)C(=O)Nc2ccccc2SC)c1 ZINC000044845261 262513460 /nfs/dbraw/zinc/51/34/60/262513460.db2.gz XNFFZFGMWYUEJG-GFCCVEGCSA-N 0 0 317.410 3.823 40 0 DHABRN CCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000042645975 332247663 /nfs/dbraw/zinc/24/76/63/332247663.db2.gz NRYDBUHMMKUIPK-UHFFFAOYSA-N 0 0 317.216 3.628 40 0 DHABRN O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(Br)c1 ZINC000016386171 333199748 /nfs/dbraw/zinc/19/97/48/333199748.db2.gz KAPLUGSDFTUCTG-DMDPSCGWSA-N 0 0 308.219 3.615 40 0 DHABRN Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000222564486 333404225 /nfs/dbraw/zinc/40/42/25/333404225.db2.gz FMJVZJCKGGMYMM-UHFFFAOYSA-N 0 0 305.740 3.707 40 0 DHABRN COC(=O)[C@@H](C(C)C)N1c2cc(OC)ccc2[C@H](C)CC1(C)C ZINC000260619488 333425087 /nfs/dbraw/zinc/42/50/87/333425087.db2.gz NCXCRHORZUETBD-CXAGYDPISA-N 0 0 319.445 3.985 40 0 DHABRN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000245461007 341295482 /nfs/dbraw/zinc/29/54/82/341295482.db2.gz MRKYFDAAAOKBTB-PIIMJCKOSA-N 0 0 317.404 3.632 40 0 DHABRN C[C@H]1c2ccccc2CCN1c1ccnc(NC2CCCC2)n1 ZINC000328959487 534152457 /nfs/dbraw/zinc/15/24/57/534152457.db2.gz AUQBUPTUUHUGNQ-AWEZNQCLSA-N 0 0 308.429 3.955 40 0 DHABRN Cc1nc2ccccc2c(Cl)c1I ZINC000072207256 527159777 /nfs/dbraw/zinc/15/97/77/527159777.db2.gz RAXQMBUWHAGUBH-UHFFFAOYSA-N 0 0 303.530 3.801 40 0 DHABRN COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1F ZINC000126144523 563603530 /nfs/dbraw/zinc/60/35/30/563603530.db2.gz ITPUWOSWYBACKV-UHFFFAOYSA-N 0 0 307.752 3.760 40 0 DHABRN O=C(CSc1ncccn1)Nc1cccc(Cl)c1Cl ZINC000000581232 563609922 /nfs/dbraw/zinc/60/99/22/563609922.db2.gz WVKHWLBREVANGS-UHFFFAOYSA-N 0 0 314.197 3.514 40 0 DHABRN Cc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 ZINC000224115523 563739020 /nfs/dbraw/zinc/73/90/20/563739020.db2.gz PSUHCKSEZVJBEG-UHFFFAOYSA-N 0 0 303.789 3.766 40 0 DHABRN CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OC)cn1 ZINC000225885548 563766039 /nfs/dbraw/zinc/76/60/39/563766039.db2.gz IODHIFWITCBYDM-QGZVFWFLSA-N 0 0 308.422 3.794 40 0 DHABRN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)CC)cc1 ZINC000001698193 563895754 /nfs/dbraw/zinc/89/57/54/563895754.db2.gz QOMOXXWUMNFYPV-UHFFFAOYSA-N 0 0 313.419 3.609 40 0 DHABRN CSc1ncc(/C=C/C(=O)Nc2ccccc2Cl)cn1 ZINC000107769030 563923427 /nfs/dbraw/zinc/92/34/27/563923427.db2.gz SYAJCVVSSVLCQP-VOTSOKGWSA-N 0 0 305.790 3.504 40 0 DHABRN CCNc1nc(Nc2ccc(Cl)c(C)c2)cc(C2CC2)n1 ZINC000329036886 563959964 /nfs/dbraw/zinc/95/99/64/563959964.db2.gz RKXDOKJVCDBJRV-UHFFFAOYSA-N 0 0 302.809 4.491 40 0 DHABRN COc1cccc(-c2nnc(-c3cc4ccccc4oc3=O)o2)c1 ZINC000000244835 563232770 /nfs/dbraw/zinc/23/27/70/563232770.db2.gz MLTISWIEBCPSMS-UHFFFAOYSA-N 0 0 320.304 3.519 40 0 DHABRN O=Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000289347 563236574 /nfs/dbraw/zinc/23/65/74/563236574.db2.gz QGFPPNLCCBKNIE-UHFFFAOYSA-N 0 0 323.270 3.535 40 0 DHABRN O=C(c1ccc(O)cc1)c1ccc(C(=O)c2ccc(O)cc2)cc1 ZINC000000332365 563241360 /nfs/dbraw/zinc/24/13/60/563241360.db2.gz ADUODNZKKNUWBZ-UHFFFAOYSA-N 0 0 318.328 3.560 40 0 DHABRN CCN(CC)C(=O)c1sc2nc3ccc(C)cc3cc2c1N ZINC000000422153 563252713 /nfs/dbraw/zinc/25/27/13/563252713.db2.gz UKBDWAUBDWKICD-UHFFFAOYSA-N 0 0 313.426 3.822 40 0 DHABRN CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1 ZINC000001353228 563281464 /nfs/dbraw/zinc/28/14/64/563281464.db2.gz VCQHRLXZYLIETM-UHFFFAOYSA-N 0 0 317.776 3.582 40 0 DHABRN CCOC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2 ZINC000001574383 563285519 /nfs/dbraw/zinc/28/55/19/563285519.db2.gz OFTZNBFUSSHAMR-UHFFFAOYSA-N 0 0 310.353 3.785 40 0 DHABRN C[C@H]1CN(C(=S)Nc2ccccc2)CCN1c1ccccc1 ZINC000001575377 563285595 /nfs/dbraw/zinc/28/55/95/563285595.db2.gz YKQGPJJZGWOABL-HNNXBMFYSA-N 0 0 311.454 3.594 40 0 DHABRN Nc1ccc2cc(Br)ccc2c1Br ZINC000001598626 563287402 /nfs/dbraw/zinc/28/74/02/563287402.db2.gz YFTPQCFVHFJWSA-UHFFFAOYSA-N 0 0 300.981 3.947 40 0 DHABRN COc1ccc(CCCc2cc3c(cc2OC)OCO3)cc1 ZINC000001611661 563287446 /nfs/dbraw/zinc/28/74/46/563287446.db2.gz MJBRHPOGDHBIKN-UHFFFAOYSA-N 0 0 300.354 3.608 40 0 DHABRN COc1ccc(/C=C/C(=O)OCCc2ccccc2)cc1OC ZINC000001642020 563288829 /nfs/dbraw/zinc/28/88/29/563288829.db2.gz OHBFHJOQNCVEOU-PKNBQFBNSA-N 0 0 312.365 3.503 40 0 in-vitro DHABRN CCOP(=O)(OCC)[C@@H]1[C@@H](C)N1C(=O)Nc1ccccc1 ZINC000001655554 563289392 /nfs/dbraw/zinc/28/93/92/563289392.db2.gz KDAFSJFRCHBLIE-BXKKICEVSA-N 0 0 312.306 3.515 40 0 DHABRN COC(=O)c1ccccc1C[C@@H]1Cc2c(c(C)ccc2C)C1=O ZINC000001647032 563289412 /nfs/dbraw/zinc/28/94/12/563289412.db2.gz UFCRTEPYKAXNSP-OAHLLOKOSA-N 0 0 308.377 3.688 40 0 DHABRN CC/C(=C(\CC)c1ccc(C(N)=O)cc1)c1ccc(C(N)=O)cc1 ZINC000001699481 563291660 /nfs/dbraw/zinc/29/16/60/563291660.db2.gz QWAJJHAKEUTHMI-ZCXUNETKSA-N 0 0 322.408 3.615 40 0 DHABRN COC(=O)c1cccc(Cl)c1C(=O)c1ccc(C)cc1C ZINC000001691208 563292031 /nfs/dbraw/zinc/29/20/31/563292031.db2.gz XLFQCVLEDRKUGD-UHFFFAOYSA-N 0 0 302.757 3.974 40 0 DHABRN CC(=O)Nc1ccc2c(c1Br)Cc1ccccc1-2 ZINC000001724363 563293752 /nfs/dbraw/zinc/29/37/52/563293752.db2.gz UDIJMISOMIYNGA-UHFFFAOYSA-N 0 0 302.171 3.979 40 0 DHABRN O[C@@]1(Cc2ccccn2)c2ccccc2C[C@H]1c1ccccc1 ZINC000001730369 563293967 /nfs/dbraw/zinc/29/39/67/563293967.db2.gz VIQVBGUQONMGJF-SFTDATJTSA-N 0 0 301.389 3.852 40 0 DHABRN COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1 ZINC000001855528 563296270 /nfs/dbraw/zinc/29/62/70/563296270.db2.gz GKCKRAPAMUQVKU-UHFFFAOYSA-N 0 0 306.405 3.676 40 0 DHABRN CCOC(=O)Cc1c(Cl)cc(C(F)(F)F)c(F)c1F ZINC000002509677 563305401 /nfs/dbraw/zinc/30/54/01/563305401.db2.gz NJFDIRUPBNGWKY-UHFFFAOYSA-N 0 0 302.626 3.743 40 0 DHABRN Clc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2)cc1 ZINC000002535333 563308620 /nfs/dbraw/zinc/30/86/20/563308620.db2.gz AQKXTUXOOAHCHI-UHFFFAOYSA-N 0 0 323.743 3.638 40 0 DHABRN CCn1ncc(C(=O)Nc2ccc(C)cc2Br)c1C ZINC000002763746 563313190 /nfs/dbraw/zinc/31/31/90/563313190.db2.gz AZDAXOPXAQRVTJ-UHFFFAOYSA-N 0 0 322.206 3.535 40 0 DHABRN Cc1ccnc(N2ON=C(c3ccccc3)N3C=CC(C)=C[C@@H]32)c1 ZINC000005579843 563330582 /nfs/dbraw/zinc/33/05/82/563330582.db2.gz YASOQPWYLKAOBO-SFHVURJKSA-N 0 0 318.380 3.605 40 0 DHABRN CCOC(=O)c1ccccc1OCc1nc2ccccc2nc1C ZINC000006892118 563334305 /nfs/dbraw/zinc/33/43/05/563334305.db2.gz MXUBSOLVQFLTSW-UHFFFAOYSA-N 0 0 322.364 3.694 40 0 DHABRN Cc1ccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)c(C)c1 ZINC000007212507 563337296 /nfs/dbraw/zinc/33/72/96/563337296.db2.gz URUWOJRJCNRCDZ-QGZVFWFLSA-N 0 0 322.408 3.664 40 0 DHABRN CCOCc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC ZINC000007751047 563341943 /nfs/dbraw/zinc/34/19/43/563341943.db2.gz PKMWCQLRNIQWMS-AWEZNQCLSA-N 0 0 313.397 3.723 40 0 DHABRN CC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1 ZINC000008162381 563344429 /nfs/dbraw/zinc/34/44/29/563344429.db2.gz CZIUKQWZMQUWLZ-KRWDZBQOSA-N 0 0 301.361 3.780 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)Cc2ccc(C)c(C)c2)c1 ZINC000008097667 563344564 /nfs/dbraw/zinc/34/45/64/563344564.db2.gz CUPOJFPWVYAMRZ-UHFFFAOYSA-N 0 0 311.381 3.661 40 0 DHABRN Cc1ccc(OCCNC(=O)CSc2ccc(C)cc2)cc1 ZINC000008237453 563345221 /nfs/dbraw/zinc/34/52/21/563345221.db2.gz OJTJXEKYLZREIG-UHFFFAOYSA-N 0 0 315.438 3.591 40 0 DHABRN Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1C ZINC000008792890 563350792 /nfs/dbraw/zinc/35/07/92/563350792.db2.gz CNWHQIMXUQJZHP-UHFFFAOYSA-N 0 0 307.444 3.908 40 0 DHABRN Cc1cccc(CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)c1 ZINC000214628020 563357978 /nfs/dbraw/zinc/35/79/78/563357978.db2.gz GARMVCLHGKHNBM-MHWRWJLKSA-N 0 0 324.405 3.935 40 0 DHABRN Cc1ccc(C)c(Cn2nc(C)n3c4ccsc4cc3c2=O)c1 ZINC000012114190 563361531 /nfs/dbraw/zinc/36/15/31/563361531.db2.gz PNRNBLCNWXVQFF-UHFFFAOYSA-N 0 0 323.421 3.684 40 0 DHABRN Cc1cc(-c2cnc(NCCc3ccncc3)nc2C(C)C)on1 ZINC000012089708 563361619 /nfs/dbraw/zinc/36/16/19/563361619.db2.gz JMQXYROWWIYCCK-UHFFFAOYSA-N 0 0 323.400 3.613 40 0 DHABRN CC(C)(C)C(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000012087767 563361812 /nfs/dbraw/zinc/36/18/12/563361812.db2.gz SUYZDTYHNFSALD-UHFFFAOYSA-N 0 0 311.429 3.569 40 0 DHABRN CCn1ncc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c1C ZINC000012143126 563362633 /nfs/dbraw/zinc/36/26/33/563362633.db2.gz WVSWLFUQONRPRW-UHFFFAOYSA-N 0 0 315.392 3.550 40 0 DHABRN CCCc1cc(CNC(=O)c2oc3c(cccc3C)c2C)on1 ZINC000012192492 563364165 /nfs/dbraw/zinc/36/41/65/563364165.db2.gz LGYJUIBYQOARCS-UHFFFAOYSA-N 0 0 312.369 3.920 40 0 DHABRN CC[C@H](NC(=O)c1csc(C(C)=O)c1)c1ccc(F)cc1 ZINC000012199928 563364510 /nfs/dbraw/zinc/36/45/10/563364510.db2.gz MGBSOMUAPFLFAR-AWEZNQCLSA-N 0 0 305.374 3.971 40 0 DHABRN CCCCOc1c(CC)c(C)nc2cc(C3CCOCC3)nn21 ZINC000012233585 563364818 /nfs/dbraw/zinc/36/48/18/563364818.db2.gz AMELUAFTFIULSC-UHFFFAOYSA-N 0 0 317.433 3.673 40 0 DHABRN CC[C@@H](NC(=O)c1csc(C(C)=O)c1)c1ccc(F)cc1 ZINC000012199923 563364939 /nfs/dbraw/zinc/36/49/39/563364939.db2.gz MGBSOMUAPFLFAR-CQSZACIVSA-N 0 0 305.374 3.971 40 0 DHABRN CC1=C[C@@](O)(c2ccccn2)[P@](=O)(c2ccccc2)C=C1C ZINC000013213203 563379697 /nfs/dbraw/zinc/37/96/97/563379697.db2.gz PJICAWSJXGVEIJ-PGRDOPGGSA-N 0 0 311.321 3.779 40 0 DHABRN Cc1ncc([C@](C)(O)c2ccccc2C)n1Cc1ccccc1 ZINC000013281774 563379812 /nfs/dbraw/zinc/37/98/12/563379812.db2.gz ZHPCBONTGXXFMC-HXUWFJFHSA-N 0 0 306.409 3.804 40 0 DHABRN COc1ccc([C@@H]2OC[C@@]3(CO)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 ZINC000013576525 563383329 /nfs/dbraw/zinc/38/33/29/563383329.db2.gz RJYHUHMMBLCXKJ-IRIMSJTPSA-N 0 0 302.414 3.594 40 0 DHABRN c1nc2nc(Oc3ccccc3)nc(NC3CCCCC3)c2[nH]1 ZINC000013648479 563384227 /nfs/dbraw/zinc/38/42/27/563384227.db2.gz OGCQBCHLFMBCCE-UHFFFAOYSA-N 0 0 309.373 3.890 40 0 in-vivo DHABRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2C)c1 ZINC000013668681 563384756 /nfs/dbraw/zinc/38/47/56/563384756.db2.gz MJZAPVPNJURZAA-INIZCTEOSA-N 0 0 317.454 3.792 40 0 DHABRN COc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC ZINC000013668388 563385112 /nfs/dbraw/zinc/38/51/12/563385112.db2.gz CGKLBYAJHQPJNE-AWEZNQCLSA-N 0 0 313.397 3.812 40 0 DHABRN C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013671672 563385717 /nfs/dbraw/zinc/38/57/17/563385717.db2.gz ZJUBQXIBYWGUBD-SNVBAGLBSA-N 0 0 322.257 3.555 40 0 DHABRN 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DHABRN COC(=O)c1ccc(C)c(NC(=O)Cc2cc(C)ccc2C)c1 ZINC000044849972 563462921 /nfs/dbraw/zinc/46/29/21/563462921.db2.gz JCSUDWIUUWAYDM-UHFFFAOYSA-N 0 0 311.381 3.580 40 0 DHABRN CCCNC(=O)c1ccccc1NC(=O)Cc1cc(C)ccc1C ZINC000044900468 563463822 /nfs/dbraw/zinc/46/38/22/563463822.db2.gz CPVRRTZBDSPEII-UHFFFAOYSA-N 0 0 324.424 3.624 40 0 DHABRN COc1cccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)c1 ZINC000047346385 563466256 /nfs/dbraw/zinc/46/62/56/563466256.db2.gz VSUCBXMDXXNLCE-OAHLLOKOSA-N 0 0 313.397 3.568 40 0 DHABRN Cc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1 ZINC000049342664 563467310 /nfs/dbraw/zinc/46/73/10/563467310.db2.gz BZSDGWYVQODRMR-UHFFFAOYSA-N 0 0 316.198 3.960 40 0 DHABRN COc1cccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)c1 ZINC000049467964 563467663 /nfs/dbraw/zinc/46/76/63/563467663.db2.gz XAXUYWNHWPUEHG-UHFFFAOYSA-N 0 0 310.332 3.617 40 0 DHABRN COc1ccc2c(c1OC)C(=O)O[C@@H]2NC1CCCCCCC1 ZINC000054172780 563470324 /nfs/dbraw/zinc/47/03/24/563470324.db2.gz YIEMRGCHQSRBRA-KRWDZBQOSA-N 0 0 319.401 3.575 40 0 DHABRN CC(C)c1ccc(-c2noc(CCC(=O)NC(C)(C)C)n2)cc1 ZINC000055275850 563473923 /nfs/dbraw/zinc/47/39/23/563473923.db2.gz BPFYYDOJVDDPHD-UHFFFAOYSA-N 0 0 315.417 3.707 40 0 DHABRN CCOc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)cc1 ZINC000055667954 563477277 /nfs/dbraw/zinc/47/72/77/563477277.db2.gz MJHUEIFOHPCHIG-UHFFFAOYSA-N 0 0 319.426 3.527 40 0 DHABRN CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(F)c2)C1 ZINC000089212714 563484490 /nfs/dbraw/zinc/48/44/90/563484490.db2.gz MUGCMPJEJWUVKH-ZDUSSCGKSA-N 0 0 308.397 3.885 40 0 DHABRN CC(C)(C)OC(=O)N1CC[C@@]2(CO2)c2cc(Cl)ccc2C1 ZINC000096510469 563486061 /nfs/dbraw/zinc/48/60/61/563486061.db2.gz JONIRCORZDXQEX-MRXNPFEDSA-N 0 0 309.793 3.706 40 0 DHABRN Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000069430799 563496438 /nfs/dbraw/zinc/49/64/38/563496438.db2.gz BIKUZZZALIKOHA-JOZWUWCOSA-N 0 0 323.392 3.657 40 0 DHABRN Cc1nc2ccc(C)cn2c1C(=O)NCc1ccc(Cl)cc1 ZINC000071476843 563499830 /nfs/dbraw/zinc/49/98/30/563499830.db2.gz NRXUAODLDARYPX-UHFFFAOYSA-N 0 0 313.788 3.535 40 0 DHABRN CC(C)N(C)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199800340 563515991 /nfs/dbraw/zinc/51/59/91/563515991.db2.gz MWXNQCFUNZSZQZ-UHFFFAOYSA-N 0 0 312.204 3.767 40 0 DHABRN CCc1ccc(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000095915162 563530959 /nfs/dbraw/zinc/53/09/59/563530959.db2.gz GLUNWSRFSXAWMW-QGZVFWFLSA-N 0 0 322.408 3.610 40 0 DHABRN CCN(CCO)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000095934589 563531294 /nfs/dbraw/zinc/53/12/94/563531294.db2.gz FENXSFXFBWZCAT-QGZVFWFLSA-N 0 0 317.816 3.578 40 0 DHABRN CN(Cc1ccccc1)C(=O)COc1ccc2c(c1)CCCC2 ZINC000096586475 563536986 /nfs/dbraw/zinc/53/69/86/563536986.db2.gz FDPMSEFGHIFTJL-UHFFFAOYSA-N 0 0 309.409 3.603 40 0 DHABRN CCOc1ccc(-c2nc(-c3cccs3)n[nH]2)cc1OCC ZINC000085385175 563568952 /nfs/dbraw/zinc/56/89/52/563568952.db2.gz FZEXVYMOVKBVGH-UHFFFAOYSA-N 0 0 315.398 3.998 40 0 DHABRN CCOc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1OCC ZINC000085385236 563569003 /nfs/dbraw/zinc/56/90/03/563569003.db2.gz MSXJRKLQAKSMMR-UHFFFAOYSA-N 0 0 309.369 3.936 40 0 DHABRN Cc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000113946525 563585361 /nfs/dbraw/zinc/58/53/61/563585361.db2.gz KIXKOCOHSXHEIQ-UHFFFAOYSA-N 0 0 311.425 3.988 40 0 DHABRN C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004104653 563590028 /nfs/dbraw/zinc/59/00/28/563590028.db2.gz XLHAVSYGJGEONL-FQJWRULHSA-N 0 0 318.457 3.528 40 0 biogenic,in-vitro DHABRN CCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000005236202 563590752 /nfs/dbraw/zinc/59/07/52/563590752.db2.gz MGIPGTMJZXGQIZ-UHFFFAOYSA-N 0 0 318.756 3.778 40 0 DHABRN CC(=O)N1[C@H](Nc2ccc(Cl)cc2)CCN1c1ccccc1 ZINC000000282708 563607014 /nfs/dbraw/zinc/60/70/14/563607014.db2.gz CYFVVKOTMFUSNH-KRWDZBQOSA-N 0 0 315.804 3.752 40 0 DHABRN O=C(Nc1ccccc1NC(=O)c1cccnc1)c1ccccc1 ZINC000000411478 563608034 /nfs/dbraw/zinc/60/80/34/563608034.db2.gz BBDPVNYDHUXXOG-UHFFFAOYSA-N 0 0 317.348 3.586 40 0 DHABRN COc1ccc(-c2nn(C(=O)c3ccccc3)c(=S)o2)cc1 ZINC000000411237 563608203 /nfs/dbraw/zinc/60/82/03/563608203.db2.gz HHKSZYYGQQCXOF-UHFFFAOYSA-N 0 0 312.350 3.570 40 0 DHABRN Cc1cccc2cc(C)c(SCC(=O)N3CCCCC3)nc12 ZINC000000420657 563608818 /nfs/dbraw/zinc/60/88/18/563608818.db2.gz OEPAGTXXBWVKMW-UHFFFAOYSA-N 0 0 314.454 3.956 40 0 DHABRN CCOc1ccc(/C=C/C(=O)NC2CCCCC2)cc1OCC ZINC000000147552 563617761 /nfs/dbraw/zinc/61/77/61/563617761.db2.gz OIPVYXUVMGKTIV-ACCUITESSA-N 0 0 317.429 3.946 40 0 DHABRN CC1(C)CCN(C(=O)c2nc(-c3ccc(Cl)cc3)c[nH]2)CC1 ZINC000644149358 563620174 /nfs/dbraw/zinc/62/01/74/563620174.db2.gz FURUFCVCOQIKIS-UHFFFAOYSA-N 0 0 317.820 3.992 40 0 DHABRN Cc1ccc(C)c(N2C(=O)CN=C2Nc2ccccc2Cl)c1 ZINC000001360512 563620829 /nfs/dbraw/zinc/62/08/29/563620829.db2.gz VBGQYRDYUNMNBA-UHFFFAOYSA-N 0 0 313.788 3.772 40 0 DHABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000004230402 563622957 /nfs/dbraw/zinc/62/29/57/563622957.db2.gz YIACVEFLTUJTMM-MRXNPFEDSA-N 0 0 315.465 3.647 40 0 DHABRN O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)cc1O ZINC000409411521 563627740 /nfs/dbraw/zinc/62/77/40/563627740.db2.gz IIUQZBWHESOKAC-UHFFFAOYSA-N 0 0 311.765 3.916 40 0 DHABRN CCOc1ccc(/C=C2\c3ccccc3N(C)C2=O)cc1OC ZINC000000575122 563631183 /nfs/dbraw/zinc/63/11/83/563631183.db2.gz SBTJQYGCMSRSMC-RVDMUPIBSA-N 0 0 309.365 3.611 40 0 DHABRN COc1ccc(NC(=O)CCCc2ccc(OC)cc2C)cc1 ZINC000000565890 563631362 /nfs/dbraw/zinc/63/13/62/563631362.db2.gz PGIWHDCTURBGLE-UHFFFAOYSA-N 0 0 313.397 3.974 40 0 DHABRN CCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OC ZINC000008078858 563635872 /nfs/dbraw/zinc/63/58/72/563635872.db2.gz IWFQUPJOFDZPQW-UHFFFAOYSA-N 0 0 303.333 3.794 40 0 DHABRN Cc1ccc(N2C[C@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1 ZINC000007657863 563641060 /nfs/dbraw/zinc/64/10/60/563641060.db2.gz FNWLAXKCAZTUSP-MRXNPFEDSA-N 0 0 323.392 3.570 40 0 DHABRN Cc1cc(C(=O)Nc2cccc(Br)c2)c(C)n1C ZINC000008051688 563641836 /nfs/dbraw/zinc/64/18/36/563641836.db2.gz ZAGIZZMYFLLXTK-UHFFFAOYSA-N 0 0 307.191 3.657 40 0 DHABRN CCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1 ZINC000010441607 563649167 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ZINC000059417497 563771457 /nfs/dbraw/zinc/77/14/57/563771457.db2.gz ULAZPHSAPHCEMG-UHFFFAOYSA-N 0 0 321.409 3.744 40 0 DHABRN CC[C@@H](C(=O)OC)N1c2c(OC)cccc2[C@H](C)CC1(C)C ZINC000260616292 563772457 /nfs/dbraw/zinc/77/24/57/563772457.db2.gz HSEWCIMDIAEQOE-OCCSQVGLSA-N 0 0 305.418 3.739 40 0 DHABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)o3)N21 ZINC000260778596 563781048 /nfs/dbraw/zinc/78/10/48/563781048.db2.gz RSWOZDZCZVVNTK-KCXAZCMYSA-N 0 0 313.426 3.962 40 0 DHABRN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCC[C@@]31C2 ZINC000257212191 563790663 /nfs/dbraw/zinc/79/06/63/563790663.db2.gz CCHNBKCQWULBML-YFYQMDMQSA-N 0 0 319.489 3.913 40 0 DHABRN Cc1cnc([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)s1 ZINC000257214650 563790724 /nfs/dbraw/zinc/79/07/24/563790724.db2.gz CMUOTIYYMHBGFW-LBPRGKRZSA-N 0 0 319.430 3.583 40 0 DHABRN C[C@@]12CCN(C(=O)Cc3ccc4ccccc4c3)[C@@H]1CC[C@@H](O)C2 ZINC000257324809 563792625 /nfs/dbraw/zinc/79/26/25/563792625.db2.gz WQGWVZLYSURTRD-SBHAEUEKSA-N 0 0 323.436 3.534 40 0 DHABRN CC(=O)N1CCC[C@@H]1c1cccc(-c2ccc(F)c(F)c2)n1 ZINC000257332307 563792720 /nfs/dbraw/zinc/79/27/20/563792720.db2.gz XWRVEIXBLCUSOH-QGZVFWFLSA-N 0 0 302.324 3.710 40 0 DHABRN Cc1csc([C@@H](C)NC(=O)NCc2ccc3occc3c2)n1 ZINC000660554672 563813486 /nfs/dbraw/zinc/81/34/86/563813486.db2.gz KWUCAINATVHZOT-LLVKDONJSA-N 0 0 315.398 3.758 40 0 DHABRN CCNc1nc(Nc2ccc(C)c(F)c2)cc(-c2ccccc2)n1 ZINC000328996633 563832890 /nfs/dbraw/zinc/83/28/90/563832890.db2.gz JKSBYFLGZXPWQP-UHFFFAOYSA-N 0 0 322.387 3.610 40 0 DHABRN CC(C)Nc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)n1 ZINC000329033388 563833422 /nfs/dbraw/zinc/83/34/22/563833422.db2.gz QUKQFDWKDFPXFM-UHFFFAOYSA-N 0 0 320.799 3.554 40 0 DHABRN Cc1cccc(OCCCn2c(C=O)nc3ccccc32)c1C ZINC000011735041 563835724 /nfs/dbraw/zinc/83/57/24/563835724.db2.gz PPIQUWIUIRFDFO-UHFFFAOYSA-N 0 0 308.381 3.935 40 0 DHABRN Cc1cccc(C(=O)OCC(=O)Nc2cccc3ccccc32)c1 ZINC000003443016 563855262 /nfs/dbraw/zinc/85/52/62/563855262.db2.gz PVKQVGCSZNQSOG-UHFFFAOYSA-N 0 0 319.360 3.944 40 0 DHABRN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1 ZINC000003398720 563855274 /nfs/dbraw/zinc/85/52/74/563855274.db2.gz QCZFBRASGYQHOS-UHFFFAOYSA-N 0 0 311.381 3.607 40 0 DHABRN CC(=O)C1C(=O)N[C@@]23CCCC[C@@H]2[C@@H]1c1cc(Cl)ccc1O3 ZINC000104149438 563855414 /nfs/dbraw/zinc/85/54/14/563855414.db2.gz GPUFUHHFUPADPT-XGURTIPYSA-N 0 0 319.788 3.664 40 0 DHABRN N=C1S[C@@H](c2ccc(F)cc2)CC(=O)N1c1ccccc1 ZINC000028296497 563857035 /nfs/dbraw/zinc/85/70/35/563857035.db2.gz XBMWSNFITQQPPF-CQSZACIVSA-N 0 0 300.358 3.972 40 0 DHABRN CCCCN(CCCC)C(=O)/C=C/C(=O)Nc1ccccc1 ZINC000147731467 563878536 /nfs/dbraw/zinc/87/85/36/563878536.db2.gz FSHQDFFFMSEFPJ-OUKQBFOZSA-N 0 0 302.418 3.610 40 0 DHABRN O=C(c1ccsc1)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000240122424 563890772 /nfs/dbraw/zinc/89/07/72/563890772.db2.gz VZFXMNVJEFQBQF-HNNXBMFYSA-N 0 0 324.405 3.590 40 0 DHABRN O=Cc1cc(-c2ccc(Br)c(F)c2F)ccc1O ZINC000096312887 563891735 /nfs/dbraw/zinc/89/17/35/563891735.db2.gz AZDDSQZTZBNQKE-UHFFFAOYSA-N 0 0 313.097 3.912 40 0 DHABRN S=c1[nH]nc(SCc2ccccc2Cl)c2nc[nH]c21 ZINC000001691133 563895772 /nfs/dbraw/zinc/89/57/72/563895772.db2.gz FYVMPAXUGAZBIO-UHFFFAOYSA-N 0 0 308.819 3.961 40 0 in-vitro DHABRN CCCOc1ccc(/C=C/C(=O)N2CCCCC2)cc1OC ZINC000001893638 563896274 /nfs/dbraw/zinc/89/62/74/563896274.db2.gz NNTWVVDWUWJMOB-CSKARUKUSA-N 0 0 303.402 3.510 40 0 DHABRN CNc1nc(Nc2cccc(F)c2C)cc(C(F)(F)F)n1 ZINC000161968728 563897220 /nfs/dbraw/zinc/89/72/20/563897220.db2.gz OGXOSMCIXZMMFQ-UHFFFAOYSA-N 0 0 300.259 3.728 40 0 DHABRN O=C(Nc1cc(Br)ccn1)c1ccc(Cl)cc1 ZINC000033504348 563913995 /nfs/dbraw/zinc/91/39/95/563913995.db2.gz HSCGOSATFGFJNK-UHFFFAOYSA-N 0 0 311.566 3.750 40 0 DHABRN CCOC(=O)c1ccc(N[C@@H](C)CCc2ccccc2)c(N)c1 ZINC000225448668 563914682 /nfs/dbraw/zinc/91/46/82/563914682.db2.gz VZHSIOCLSOTKQJ-AWEZNQCLSA-N 0 0 312.413 3.879 40 0 DHABRN COC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(N)c1 ZINC000225438014 563914687 /nfs/dbraw/zinc/91/46/87/563914687.db2.gz GEULHXSVEQKDHW-UHFFFAOYSA-N 0 0 324.424 3.515 40 0 DHABRN S=C(NCCCc1ccccc1)NCCCc1ccccc1 ZINC000243191630 563916918 /nfs/dbraw/zinc/91/69/18/563916918.db2.gz KAAYRKABOQYQMM-UHFFFAOYSA-N 0 0 312.482 3.716 40 0 DHABRN COc1ccccc1O[C@H](C)C(=O)NC1CCCCCCC1 ZINC000008050595 563922059 /nfs/dbraw/zinc/92/20/59/563922059.db2.gz RMFWYBPVPPUPCP-CQSZACIVSA-N 0 0 305.418 3.692 40 0 DHABRN Cc1ccc(F)c(NC(=O)COC(=O)c2cccc(Cl)c2)c1 ZINC000008369941 563922284 /nfs/dbraw/zinc/92/22/84/563922284.db2.gz RNYZEDVSNCCRNT-UHFFFAOYSA-N 0 0 321.735 3.583 40 0 DHABRN CC[C@@H](Oc1ccccc1)C(=O)NCCSc1ccccc1 ZINC000008494828 563922488 /nfs/dbraw/zinc/92/24/88/563922488.db2.gz DUSFAKVGIXHRFR-QGZVFWFLSA-N 0 0 315.438 3.753 40 0 DHABRN CC[C@@H](Oc1ccccc1OC)C(=O)N(C)Cc1ccccc1 ZINC000008492575 563922503 /nfs/dbraw/zinc/92/25/03/563922503.db2.gz CPRGWLNVYMUGEV-MRXNPFEDSA-N 0 0 313.397 3.511 40 0 DHABRN CC(C)OCCCNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000010359186 563922616 /nfs/dbraw/zinc/92/26/16/563922616.db2.gz YVIFNPPJPVOTSV-UHFFFAOYSA-N 0 0 305.462 3.848 40 0 DHABRN C[C@H]1c2[nH]c3ccccc3c2CCN1C[C@@H](O)c1cccs1 ZINC000019498295 563922812 /nfs/dbraw/zinc/92/28/12/563922812.db2.gz XUVWJJQEZLOFGT-BLLLJJGKSA-N 0 0 312.438 3.882 40 0 DHABRN CCOc1cc(C(=O)NC)cc(Cl)c1OCc1ccccc1 ZINC000033620608 563922910 /nfs/dbraw/zinc/92/29/10/563922910.db2.gz KZLITNJQMHIDEK-UHFFFAOYSA-N 0 0 319.788 3.677 40 0 DHABRN CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C ZINC000032585467 563922985 /nfs/dbraw/zinc/92/29/85/563922985.db2.gz HVFXWWCCXOIUCR-UHFFFAOYSA-N 0 0 305.399 3.503 40 0 DHABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)c(O)c(C)c2)C1=O ZINC000033616601 563922993 /nfs/dbraw/zinc/92/29/93/563922993.db2.gz SJLLYVVYHVSNAI-KAQJVSAMSA-N 0 0 305.399 3.844 40 0 DHABRN C[C@]12CC[C@@H]3[C@@H](CCC4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000021988960 563922998 /nfs/dbraw/zinc/92/29/98/563922998.db2.gz OSVMTWJCGUFAOD-PVCYBXFQSA-N 0 0 302.414 3.973 40 0 DHABRN CC(C)c1ccccc1NC(=O)C(=O)NCCC1=CCCCC1 ZINC000042646356 563923067 /nfs/dbraw/zinc/92/30/67/563923067.db2.gz HPFKJFZAVHCXEN-UHFFFAOYSA-N 0 0 314.429 3.755 40 0 DHABRN CCOc1cc(C(=O)Nc2ccccc2)cc(Cl)c1OC ZINC000107996672 563923525 /nfs/dbraw/zinc/92/35/25/563923525.db2.gz AFQZNDFBEOLSFV-UHFFFAOYSA-N 0 0 305.761 4.000 40 0 DHABRN COC(=O)c1cccc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000575441360 563925339 /nfs/dbraw/zinc/92/53/39/563925339.db2.gz GTWHCGPVRHUVPF-HNNXBMFYSA-N 0 0 319.401 3.588 40 0 DHABRN FCc1cc2ccc(I)cc2nc1Cl ZINC000685937402 563926995 /nfs/dbraw/zinc/92/69/95/563926995.db2.gz TVTOACFTFNWOEJ-UHFFFAOYSA-N 0 0 321.520 3.962 40 0 DHABRN CC(C)Nc1nc(C2CC2)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329015391 563959592 /nfs/dbraw/zinc/95/95/92/563959592.db2.gz NANOUHSNJBOOIF-AWEZNQCLSA-N 0 0 322.456 4.126 40 0 DHABRN CCc1nc(N)c2c(n1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O ZINC000408712670 563960469 /nfs/dbraw/zinc/96/04/69/563960469.db2.gz GFESTPVLHSGRTL-CYBMUJFWSA-N 0 0 323.440 3.831 40 0 DHABRN CCOc1ccc(CNC(=O)CCSc2ccccc2)cc1 ZINC000013612958 568412537 /nfs/dbraw/zinc/41/25/37/568412537.db2.gz LVPNGVLGZQGKGP-UHFFFAOYSA-N 0 0 315.438 3.884 40 0 DHABRN COc1cccc(CCCNC(=O)CSc2ccccc2)c1 ZINC000066436609 568413292 /nfs/dbraw/zinc/41/32/92/568413292.db2.gz BJHURUOLWDIFBG-UHFFFAOYSA-N 0 0 315.438 3.536 40 0 DHABRN COc1cccc(CCCNC(=O)CCc2ccccc2F)c1 ZINC000066436221 568413335 /nfs/dbraw/zinc/41/33/35/568413335.db2.gz SRSWTYYOXFGMJF-UHFFFAOYSA-N 0 0 315.388 3.516 40 0 DHABRN